# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f9aa52bc-bb84-4727-9221-2b862572accc/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 Ba3YI9 / Pc (7) / materials id 772018](https://mdr.nims.go.jp/datasets/d78c4045-1065-415b-af72-152728c319d2) ## 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: "Pc" number: 7 Hall_symbol: "P -2yc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.490208720000000, 0.000000000000000, -0.006206840000000 ] # a - [ 0.000000000000000, 7.726865160000000, 0.000000000000000 ] # b - [ -1.138204220000000, 0.000000000000000, 32.703292930000003 ] # c points: - symbol: Ba # 1 coordinates: [ 0.323650210000000, 0.032406920000000, 0.934482600000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.300159960000000, 0.987886770000000, 0.691739110000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.323650210000000, 0.967593080000000, 0.434482600000000 ] mass: 137.327000 - symbol: Ba # 4 coordinates: [ 0.300159960000000, 0.012113230000000, 0.191739110000000 ] mass: 137.327000 - symbol: Ba # 5 coordinates: [ 0.674977400000000, 0.016759700000000, 0.573090950000000 ] mass: 137.327000 - symbol: Ba # 6 coordinates: [ 0.716027650000000, 0.023186550000000, 0.808431820000000 ] mass: 137.327000 - symbol: Ba # 7 coordinates: [ 0.674977400000000, 0.983240300000000, 0.073090950000000 ] mass: 137.327000 - symbol: Ba # 8 coordinates: [ 0.716027650000000, 0.976813450000000, 0.308431820000000 ] mass: 137.327000 - symbol: Ba # 9 coordinates: [ 0.781519400000000, 0.457477050000000, 0.691986100000000 ] mass: 137.327000 - symbol: Ba # 10 coordinates: [ 0.823472540000000, 0.477916400000000, 0.928062760000000 ] mass: 137.327000 - symbol: Ba # 11 coordinates: [ 0.781519400000000, 0.542522950000000, 0.191986100000000 ] mass: 137.327000 - symbol: Ba # 12 coordinates: [ 0.823472540000000, 0.522083600000000, 0.428062760000000 ] mass: 137.327000 - symbol: Y # 13 coordinates: [ 0.198014840000000, 0.474833300000000, 0.805722650000000 ] mass: 88.905850 - symbol: Y # 14 coordinates: [ 0.166592430000000, 0.446329960000000, 0.566555470000000 ] mass: 88.905850 - symbol: Y # 15 coordinates: [ 0.198014840000000, 0.525166700000000, 0.305722650000000 ] mass: 88.905850 - symbol: Y # 16 coordinates: [ 0.166592430000000, 0.553670040000000, 0.066555470000000 ] mass: 88.905850 - symbol: I # 17 coordinates: [ 0.034205720000000, 0.197932110000000, 0.866486140000000 ] mass: 126.904470 - symbol: I # 18 coordinates: [ 0.025484830000000, 0.173303160000000, 0.753324640000000 ] mass: 126.904470 - symbol: I # 19 coordinates: [ 0.011939520000000, 0.181270060000000, 0.626548270000000 ] mass: 126.904470 - symbol: I # 20 coordinates: [ 0.034205720000000, 0.802067890000000, 0.366486140000000 ] mass: 126.904470 - symbol: I # 21 coordinates: [ 0.025484830000000, 0.826696840000000, 0.253324640000000 ] mass: 126.904470 - symbol: I # 22 coordinates: [ 0.108470590000000, 0.302840260000000, 0.994861070000000 ] mass: 126.904470 - symbol: I # 23 coordinates: [ 0.011939520000000, 0.818729940000000, 0.126548270000000 ] mass: 126.904470 - symbol: I # 24 coordinates: [ 0.158111340000000, 0.665436070000000, 0.890155860000000 ] mass: 126.904470 - symbol: I # 25 coordinates: [ 0.108470590000000, 0.697159740000000, 0.494861070000000 ] mass: 126.904470 - symbol: I # 26 coordinates: [ 0.153411560000000, 0.591901320000000, 0.709161050000000 ] mass: 126.904470 - symbol: I # 27 coordinates: [ 0.158111340000000, 0.334563930000000, 0.390155860000000 ] mass: 126.904470 - symbol: I # 28 coordinates: [ 0.153411560000000, 0.408098680000000, 0.209161050000000 ] mass: 126.904470 - symbol: I # 29 coordinates: [ 0.364617330000000, 0.819474490000000, 0.795451390000000 ] mass: 126.904470 - symbol: I # 30 coordinates: [ 0.338589860000000, 0.777477380000000, 0.597832510000000 ] mass: 126.904470 - symbol: I # 31 coordinates: [ 0.364617330000000, 0.180525510000000, 0.295451390000000 ] mass: 126.904470 - symbol: I # 32 coordinates: [ 0.338589860000000, 0.222522620000000, 0.097832510000000 ] mass: 126.904470 - symbol: I # 33 coordinates: [ 0.403266810000000, 0.267026430000000, 0.512363720000000 ] mass: 126.904470 - symbol: I # 34 coordinates: [ 0.486157670000000, 0.332177830000000, 0.866096320000000 ] mass: 126.904470 - symbol: I # 35 coordinates: [ 0.476303920000000, 0.310845780000000, 0.752943220000000 ] mass: 126.904470 - symbol: I # 36 coordinates: [ 0.455619090000000, 0.310486080000000, 0.628606670000000 ] mass: 126.904470 - symbol: I # 37 coordinates: [ 0.403266810000000, 0.732973570000000, 0.012363720000000 ] mass: 126.904470 - symbol: I # 38 coordinates: [ 0.486157670000000, 0.667822170000000, 0.366096320000000 ] mass: 126.904470 - symbol: I # 39 coordinates: [ 0.476303920000000, 0.689154220000000, 0.252943220000000 ] mass: 126.904470 - symbol: I # 40 coordinates: [ 0.455619090000000, 0.689513920000000, 0.128606670000000 ] mass: 126.904470 - symbol: I # 41 coordinates: [ 0.602795930000000, 0.245843880000000, 0.992558920000000 ] mass: 126.904470 - symbol: I # 42 coordinates: [ 0.602795930000000, 0.754156120000000, 0.492558920000000 ] mass: 126.904470 - symbol: I # 43 coordinates: [ 0.672748930000000, 0.867947780000000, 0.903895230000000 ] mass: 126.904470 - symbol: I # 44 coordinates: [ 0.693510850000000, 0.902953270000000, 0.694714240000000 ] mass: 126.904470 - symbol: I # 45 coordinates: [ 0.672748930000000, 0.132052220000000, 0.403895230000000 ] mass: 126.904470 - symbol: I # 46 coordinates: [ 0.693510850000000, 0.097046730000000, 0.194714240000000 ] mass: 126.904470 - symbol: I # 47 coordinates: [ 0.852995750000000, 0.596849320000000, 0.798591900000000 ] mass: 126.904470 - symbol: I # 48 coordinates: [ 0.876261140000000, 0.636256640000000, 0.598206940000000 ] mass: 126.904470 - symbol: I # 49 coordinates: [ 0.852995750000000, 0.403150680000000, 0.298591900000000 ] mass: 126.904470 - symbol: I # 50 coordinates: [ 0.876261140000000, 0.363743360000000, 0.098206940000000 ] mass: 126.904470 - symbol: I # 51 coordinates: [ 0.931829800000000, 0.240753810000000, 0.509942500000000 ] mass: 126.904470 - symbol: I # 52 coordinates: [ 0.931829800000000, 0.759246190000000, 0.009942500000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.117785731465971, 0.000000000000000, 0.004099410322297 ] # a* - [ 0.000000000000000, 0.129418590760033, 0.000000000000000 ] # b* - [ 0.000022354849435, 0.000000000000000, 0.030578738554692 ] # c*unit_cell: lattice: - [ 8.490208720000000, 0.000000000000000, -0.006206840000000 ] # a - [ 0.000000000000000, 7.726865160000000, 0.000000000000000 ] # b - [ -1.138204220000000, 0.000000000000000, 32.703292930000003 ] # c points: - symbol: Ba # 1 coordinates: [ 0.323650210000000, 0.032406920000000, 0.934482600000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.300159960000000, 0.987886770000000, 0.691739110000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.323650210000000, 0.967593080000000, 0.434482600000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.300159960000000, 0.012113230000000, 0.191739110000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.674977400000000, 0.016759700000000, 0.573090950000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.716027650000000, 0.023186550000000, 0.808431820000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.674977400000000, 0.983240300000000, 0.073090950000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 8 coordinates: [ 0.716027650000000, 0.976813450000000, 0.308431820000000 ] mass: 137.327000 reduced_to: 8 - symbol: Ba # 9 coordinates: [ 0.781519400000000, 0.457477050000000, 0.691986100000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.823472540000000, 0.477916400000000, 0.928062760000000 ] mass: 137.327000 reduced_to: 10 - symbol: Ba # 11 coordinates: [ 0.781519400000000, 0.542522950000000, 0.191986100000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 12 coordinates: [ 0.823472540000000, 0.522083600000000, 0.428062760000000 ] mass: 137.327000 reduced_to: 12 - symbol: Y # 13 coordinates: [ 0.198014840000000, 0.474833300000000, 0.805722650000000 ] mass: 88.905850 reduced_to: 13 - symbol: Y # 14 coordinates: [ 0.166592430000000, 0.446329960000000, 0.566555470000000 ] mass: 88.905850 reduced_to: 14 - symbol: Y # 15 coordinates: [ 0.198014840000000, 0.525166700000000, 0.305722650000000 ] mass: 88.905850 reduced_to: 15 - symbol: Y # 16 coordinates: [ 0.166592430000000, 0.553670040000000, 0.066555470000000 ] mass: 88.905850 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.034205720000000, 0.197932110000000, 0.866486140000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.025484830000000, 0.173303160000000, 0.753324640000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.011939520000000, 0.181270060000000, 0.626548270000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.034205720000000, 0.802067890000000, 0.366486140000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.025484830000000, 0.826696840000000, 0.253324640000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.108470590000000, 0.302840260000000, 0.994861070000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.011939520000000, 0.818729940000000, 0.126548270000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.158111340000000, 0.665436070000000, 0.890155860000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 25 coordinates: [ 0.108470590000000, 0.697159740000000, 0.494861070000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.153411560000000, 0.591901320000000, 0.709161050000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 27 coordinates: [ 0.158111340000000, 0.334563930000000, 0.390155860000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 28 coordinates: [ 0.153411560000000, 0.408098680000000, 0.209161050000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 29 coordinates: [ 0.364617330000000, 0.819474490000000, 0.795451390000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.338589860000000, 0.777477380000000, 0.597832510000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 31 coordinates: [ 0.364617330000000, 0.180525510000000, 0.295451390000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 32 coordinates: [ 0.338589860000000, 0.222522620000000, 0.097832510000000 ] mass: 126.904470 reduced_to: 32 - symbol: I # 33 coordinates: [ 0.403266810000000, 0.267026430000000, 0.512363720000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.486157670000000, 0.332177830000000, 0.866096320000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 35 coordinates: [ 0.476303920000000, 0.310845780000000, 0.752943220000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 36 coordinates: [ 0.455619090000000, 0.310486080000000, 0.628606670000000 ] mass: 126.904470 reduced_to: 36 - symbol: I # 37 coordinates: [ 0.403266810000000, 0.732973570000000, 0.012363720000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.486157670000000, 0.667822170000000, 0.366096320000000 ] mass: 126.904470 reduced_to: 38 - symbol: I # 39 coordinates: [ 0.476303920000000, 0.689154220000000, 0.252943220000000 ] mass: 126.904470 reduced_to: 39 - symbol: I # 40 coordinates: [ 0.455619090000000, 0.689513920000000, 0.128606670000000 ] mass: 126.904470 reduced_to: 40 - symbol: I # 41 coordinates: [ 0.602795930000000, 0.245843880000000, 0.992558920000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.602795930000000, 0.754156120000000, 0.492558920000000 ] mass: 126.904470 reduced_to: 42 - symbol: I # 43 coordinates: [ 0.672748930000000, 0.867947780000000, 0.903895230000000 ] mass: 126.904470 reduced_to: 43 - symbol: I # 44 coordinates: [ 0.693510850000000, 0.902953270000000, 0.694714240000000 ] mass: 126.904470 reduced_to: 44 - symbol: I # 45 coordinates: [ 0.672748930000000, 0.132052220000000, 0.403895230000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.693510850000000, 0.097046730000000, 0.194714240000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 47 coordinates: [ 0.852995750000000, 0.596849320000000, 0.798591900000000 ] mass: 126.904470 reduced_to: 47 - symbol: I # 48 coordinates: [ 0.876261140000000, 0.636256640000000, 0.598206940000000 ] mass: 126.904470 reduced_to: 48 - symbol: I # 49 coordinates: [ 0.852995750000000, 0.403150680000000, 0.298591900000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.876261140000000, 0.363743360000000, 0.098206940000000 ] mass: 126.904470 reduced_to: 50 - symbol: I # 51 coordinates: [ 0.931829800000000, 0.240753810000000, 0.509942500000000 ] mass: 126.904470 reduced_to: 51 - symbol: I # 52 coordinates: [ 0.931829800000000, 0.759246190000000, 0.009942500000000 ] mass: 126.904470 reduced_to: 52supercell: lattice: - [ 8.490208720000000, 0.000000000000000, -0.006206840000000 ] # a - [ 0.000000000000000, 15.453730320000000, 0.000000000000000 ] # b - [ -1.138204220000000, 0.000000000000000, 32.703292930000003 ] # c points: - symbol: Ba # 1 coordinates: [ 0.323650210000000, 0.016203460000000, 0.934482600000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.323650210000000, 0.516203460000000, 0.934482600000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.300159960000000, 0.493943385000000, 0.691739110000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.300159960000000, 0.993943385000000, 0.691739110000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 5 coordinates: [ 0.323650210000000, 0.483796540000000, 0.434482600000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.323650210000000, 0.983796540000000, 0.434482600000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 7 coordinates: [ 0.300159960000000, 0.006056615000000, 0.191739110000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 8 coordinates: [ 0.300159960000000, 0.506056615000000, 0.191739110000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 9 coordinates: [ 0.674977400000000, 0.008379850000000, 0.573090950000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.674977400000000, 0.508379850000000, 0.573090950000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 11 coordinates: [ 0.716027650000000, 0.011593275000000, 0.808431820000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 12 coordinates: [ 0.716027650000000, 0.511593275000000, 0.808431820000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 13 coordinates: [ 0.674977400000000, 0.491620150000000, 0.073090950000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.674977400000000, 0.991620150000000, 0.073090950000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 15 coordinates: [ 0.716027650000000, 0.488406725000000, 0.308431820000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 16 coordinates: [ 0.716027650000000, 0.988406725000000, 0.308431820000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 17 coordinates: [ 0.781519400000000, 0.228738525000000, 0.691986100000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 18 coordinates: [ 0.781519400000000, 0.728738525000000, 0.691986100000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 19 coordinates: [ 0.823472540000000, 0.238958200000000, 0.928062760000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 20 coordinates: [ 0.823472540000000, 0.738958200000000, 0.928062760000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 21 coordinates: [ 0.781519400000000, 0.271261475000000, 0.191986100000000 ] mass: 137.327000 reduced_to: 21 - symbol: Ba # 22 coordinates: [ 0.781519400000000, 0.771261475000000, 0.191986100000000 ] mass: 137.327000 reduced_to: 21 - symbol: Ba # 23 coordinates: [ 0.823472540000000, 0.261041800000000, 0.428062760000000 ] mass: 137.327000 reduced_to: 23 - symbol: Ba # 24 coordinates: [ 0.823472540000000, 0.761041800000000, 0.428062760000000 ] mass: 137.327000 reduced_to: 23 - symbol: Y # 25 coordinates: [ 0.198014840000000, 0.237416650000000, 0.805722650000000 ] mass: 88.905850 reduced_to: 25 - symbol: Y # 26 coordinates: [ 0.198014840000000, 0.737416650000000, 0.805722650000000 ] mass: 88.905850 reduced_to: 25 - symbol: Y # 27 coordinates: [ 0.166592430000000, 0.223164980000000, 0.566555470000000 ] mass: 88.905850 reduced_to: 27 - symbol: Y # 28 coordinates: [ 0.166592430000000, 0.723164980000000, 0.566555470000000 ] mass: 88.905850 reduced_to: 27 - symbol: Y # 29 coordinates: [ 0.198014840000000, 0.262583350000000, 0.305722650000000 ] mass: 88.905850 reduced_to: 29 - symbol: Y # 30 coordinates: [ 0.198014840000000, 0.762583350000000, 0.305722650000000 ] mass: 88.905850 reduced_to: 29 - symbol: Y # 31 coordinates: [ 0.166592430000000, 0.276835020000000, 0.066555470000000 ] mass: 88.905850 reduced_to: 31 - symbol: Y # 32 coordinates: [ 0.166592430000000, 0.776835020000000, 0.066555470000000 ] mass: 88.905850 reduced_to: 31 - symbol: I # 33 coordinates: [ 0.034205720000000, 0.098966055000000, 0.866486140000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.034205720000000, 0.598966055000000, 0.866486140000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 35 coordinates: [ 0.025484830000000, 0.086651580000000, 0.753324640000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 36 coordinates: [ 0.025484830000000, 0.586651580000000, 0.753324640000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 37 coordinates: [ 0.011939520000000, 0.090635030000000, 0.626548270000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.011939520000000, 0.590635030000000, 0.626548270000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 39 coordinates: [ 0.034205720000000, 0.401033945000000, 0.366486140000000 ] mass: 126.904470 reduced_to: 39 - symbol: I # 40 coordinates: [ 0.034205720000000, 0.901033945000000, 0.366486140000000 ] mass: 126.904470 reduced_to: 39 - symbol: I # 41 coordinates: [ 0.025484830000000, 0.413348420000000, 0.253324640000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.025484830000000, 0.913348420000000, 0.253324640000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 43 coordinates: [ 0.108470590000000, 0.151420130000000, 0.994861070000000 ] mass: 126.904470 reduced_to: 43 - symbol: I # 44 coordinates: [ 0.108470590000000, 0.651420130000000, 0.994861070000000 ] mass: 126.904470 reduced_to: 43 - symbol: I # 45 coordinates: [ 0.011939520000000, 0.409364970000000, 0.126548270000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.011939520000000, 0.909364970000000, 0.126548270000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 47 coordinates: [ 0.158111340000000, 0.332718035000000, 0.890155860000000 ] mass: 126.904470 reduced_to: 47 - symbol: I # 48 coordinates: [ 0.158111340000000, 0.832718035000000, 0.890155860000000 ] mass: 126.904470 reduced_to: 47 - symbol: I # 49 coordinates: [ 0.108470590000000, 0.348579870000000, 0.494861070000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.108470590000000, 0.848579870000000, 0.494861070000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 51 coordinates: [ 0.153411560000000, 0.295950660000000, 0.709161050000000 ] mass: 126.904470 reduced_to: 51 - symbol: I # 52 coordinates: [ 0.153411560000000, 0.795950660000000, 0.709161050000000 ] mass: 126.904470 reduced_to: 51 - symbol: I # 53 coordinates: [ 0.158111340000000, 0.167281965000000, 0.390155860000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.158111340000000, 0.667281965000000, 0.390155860000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 55 coordinates: [ 0.153411560000000, 0.204049340000000, 0.209161050000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 56 coordinates: [ 0.153411560000000, 0.704049340000000, 0.209161050000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 57 coordinates: [ 0.364617330000000, 0.409737245000000, 0.795451390000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.364617330000000, 0.909737245000000, 0.795451390000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 59 coordinates: [ 0.338589860000000, 0.388738690000000, 0.597832510000000 ] mass: 126.904470 reduced_to: 59 - symbol: I # 60 coordinates: [ 0.338589860000000, 0.888738690000000, 0.597832510000000 ] mass: 126.904470 reduced_to: 59 - symbol: I # 61 coordinates: [ 0.364617330000000, 0.090262755000000, 0.295451390000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 62 coordinates: [ 0.364617330000000, 0.590262755000000, 0.295451390000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 63 coordinates: [ 0.338589860000000, 0.111261310000000, 0.097832510000000 ] mass: 126.904470 reduced_to: 63 - symbol: I # 64 coordinates: [ 0.338589860000000, 0.611261310000000, 0.097832510000000 ] mass: 126.904470 reduced_to: 63 - symbol: I # 65 coordinates: [ 0.403266810000000, 0.133513215000000, 0.512363720000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 66 coordinates: [ 0.403266810000000, 0.633513215000000, 0.512363720000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 67 coordinates: [ 0.486157670000000, 0.166088915000000, 0.866096320000000 ] mass: 126.904470 reduced_to: 67 - symbol: I # 68 coordinates: [ 0.486157670000000, 0.666088915000000, 0.866096320000000 ] mass: 126.904470 reduced_to: 67 - symbol: I # 69 coordinates: [ 0.476303920000000, 0.155422890000000, 0.752943220000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 70 coordinates: [ 0.476303920000000, 0.655422890000000, 0.752943220000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 71 coordinates: [ 0.455619090000000, 0.155243040000000, 0.628606670000000 ] mass: 126.904470 reduced_to: 71 - symbol: I # 72 coordinates: [ 0.455619090000000, 0.655243040000000, 0.628606670000000 ] mass: 126.904470 reduced_to: 71 - symbol: I # 73 coordinates: [ 0.403266810000000, 0.366486785000000, 0.012363720000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 74 coordinates: [ 0.403266810000000, 0.866486785000000, 0.012363720000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 75 coordinates: [ 0.486157670000000, 0.333911085000000, 0.366096320000000 ] mass: 126.904470 reduced_to: 75 - symbol: I # 76 coordinates: [ 0.486157670000000, 0.833911085000000, 0.366096320000000 ] mass: 126.904470 reduced_to: 75 - symbol: I # 77 coordinates: [ 0.476303920000000, 0.344577110000000, 0.252943220000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 78 coordinates: [ 0.476303920000000, 0.844577110000000, 0.252943220000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 79 coordinates: [ 0.455619090000000, 0.344756960000000, 0.128606670000000 ] mass: 126.904470 reduced_to: 79 - symbol: I # 80 coordinates: [ 0.455619090000000, 0.844756960000000, 0.128606670000000 ] mass: 126.904470 reduced_to: 79 - symbol: I # 81 coordinates: [ 0.602795930000000, 0.122921940000000, 0.992558920000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 82 coordinates: [ 0.602795930000000, 0.622921940000000, 0.992558920000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 83 coordinates: [ 0.602795930000000, 0.377078060000000, 0.492558920000000 ] mass: 126.904470 reduced_to: 83 - symbol: I # 84 coordinates: [ 0.602795930000000, 0.877078060000000, 0.492558920000000 ] mass: 126.904470 reduced_to: 83 - symbol: I # 85 coordinates: [ 0.672748930000000, 0.433973890000000, 0.903895230000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 86 coordinates: [ 0.672748930000000, 0.933973890000000, 0.903895230000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 87 coordinates: [ 0.693510850000000, 0.451476635000000, 0.694714240000000 ] mass: 126.904470 reduced_to: 87 - symbol: I # 88 coordinates: [ 0.693510850000000, 0.951476635000000, 0.694714240000000 ] mass: 126.904470 reduced_to: 87 - symbol: I # 89 coordinates: [ 0.672748930000000, 0.066026110000000, 0.403895230000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 90 coordinates: [ 0.672748930000000, 0.566026110000000, 0.403895230000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 91 coordinates: [ 0.693510850000000, 0.048523365000000, 0.194714240000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 92 coordinates: [ 0.693510850000000, 0.548523365000000, 0.194714240000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 93 coordinates: [ 0.852995750000000, 0.298424660000000, 0.798591900000000 ] mass: 126.904470 reduced_to: 93 - symbol: I # 94 coordinates: [ 0.852995750000000, 0.798424660000000, 0.798591900000000 ] mass: 126.904470 reduced_to: 93 - symbol: I # 95 coordinates: [ 0.876261140000000, 0.318128320000000, 0.598206940000000 ] mass: 126.904470 reduced_to: 95 - symbol: I # 96 coordinates: [ 0.876261140000000, 0.818128320000000, 0.598206940000000 ] mass: 126.904470 reduced_to: 95 - symbol: I # 97 coordinates: [ 0.852995750000000, 0.201575340000000, 0.298591900000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 98 coordinates: [ 0.852995750000000, 0.701575340000000, 0.298591900000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 99 coordinates: [ 0.876261140000000, 0.181871680000000, 0.098206940000000 ] mass: 126.904470 reduced_to: 99 - symbol: I # 100 coordinates: [ 0.876261140000000, 0.681871680000000, 0.098206940000000 ] mass: 126.904470 reduced_to: 99 - symbol: I # 101 coordinates: [ 0.931829800000000, 0.120376905000000, 0.509942500000000 ] mass: 126.904470 reduced_to: 101 - symbol: I # 102 coordinates: [ 0.931829800000000, 0.620376905000000, 0.509942500000000 ] mass: 126.904470 reduced_to: 101 - symbol: I # 103 coordinates: [ 0.931829800000000, 0.379623095000000, 0.009942500000000 ] mass: 126.904470 reduced_to: 103 - symbol: I # 104 coordinates: [ 0.931829800000000, 0.879623095000000, 0.009942500000000 ] mass: 126.904470 reduced_to: 103displacements:- atom: 1 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ -0.0354353800000000, 0.0019376400000000, -0.0036730700000000 ] - [ 0.0005057200000000, -0.0005649700000000, 0.0007522300000000 ] - [ 0.0003541700000000, -0.0004881900000000, -0.0000097200000000 ] - [ 0.0001773000000000, -0.0004823400000000, -0.0000503900000000 ] - [ 0.0006582200000000, 0.0004847000000000, 0.0008880900000000 ] - [ 0.0006572200000000, 0.0004948200000000, 0.0008891400000000 ] - [ 0.0003565300000000, 0.0005809700000000, 0.0000328800000000 ] - [ 0.0003209300000000, 0.0004029800000000, -0.0000202700000000 ] - [ -0.0006253200000000, -0.0009000100000000, -0.0001966600000000 ] - [ -0.0006471000000000, -0.0009127600000000, -0.0001706200000000 ] - [ 0.0014753100000000, 0.0001401500000000, -0.0007216900000000 ] - [ -0.0000798500000000, -0.0008171100000000, 0.0009914000000000 ] - [ -0.0004931500000000, 0.0007524000000000, -0.0002124900000000 ] - [ 0.0001150700000000, -0.0000626500000000, 0.0013808500000000 ] - [ -0.0002313400000000, 0.0007541700000000, 0.0010132500000000 ] - [ -0.0002292000000000, 0.0007786700000000, 0.0010364300000000 ] - [ 0.0037270600000000, 0.0022070100000000, -0.0006835700000000 ] - [ 0.0035132700000000, 0.0021518700000000, -0.0007738100000000 ] - [ 0.0054856400000000, 0.0004032700000000, 0.0000617800000000 ] - [ 0.0040602700000000, -0.0012479300000000, 0.0011193100000000 ] - [ 0.0035126500000000, -0.0021503400000000, -0.0008124100000000 ] - [ 0.0036114400000000, -0.0022594600000000, -0.0006921000000000 ] - [ 0.0023405100000000, -0.0001098800000000, 0.0007174600000000 ] - [ 0.0023405900000000, -0.0001159100000000, 0.0007199900000000 ] - [ -0.0038394800000000, -0.0010007700000000, 0.0007656600000000 ] - [ -0.0015168900000000, 0.0001650700000000, 0.0018472600000000 ] - [ 0.0003833300000000, -0.0023993500000000, -0.0013735800000000 ] - [ 0.0004277100000000, -0.0024076800000000, -0.0013840300000000 ] - [ -0.0013191000000000, 0.0002004100000000, 0.0003985600000000 ] - [ -0.0013255500000000, 0.0001618000000000, 0.0004250700000000 ] - [ -0.0000626600000000, 0.0010580100000000, -0.0034532300000000 ] - [ -0.0008203400000000, 0.0020991400000000, -0.0012962500000000 ] - [ -0.0001336000000000, -0.0006398500000000, 0.0006181200000000 ] - [ -0.0055049000000000, 0.0011750400000000, -0.0038300100000000 ] - [ -0.0010246200000000, 0.0005629100000000, -0.0009236700000000 ] - [ -0.0009750300000000, 0.0006222900000000, -0.0004663900000000 ] - [ 0.0010225600000000, 0.0013298100000000, 0.0023066200000000 ] - [ 0.0010120900000000, 0.0013297000000000, 0.0023569200000000 ] - [ -0.0052688600000000, -0.0014146800000000, -0.0038530400000000 ] - [ -0.0052686400000000, -0.0014141100000000, -0.0038622300000000 ] - [ -0.0009158800000000, -0.0006273200000000, -0.0004463000000000 ] - [ -0.0009219900000000, -0.0006270100000000, -0.0004675300000000 ] - [ 0.0030823700000000, -0.0013938700000000, -0.0048617700000000 ] - [ -0.0006738000000000, 0.0016470800000000, -0.0019895100000000 ] - [ 0.0008635600000000, -0.0011978700000000, 0.0025190700000000 ] - [ 0.0009737900000000, -0.0013154600000000, 0.0023122600000000 ] - [ 0.0038712500000000, 0.0004541400000000, 0.0030072500000000 ] - [ 0.0051011100000000, 0.0034111900000000, 0.0040332000000000 ] - [ -0.0006441500000000, -0.0015029500000000, -0.0021139600000000 ] - [ -0.0006441300000000, -0.0015023200000000, -0.0021110900000000 ] - [ 0.0012977500000000, -0.0004730700000000, 0.0015610600000000 ] - [ 0.0012705400000000, -0.0003772400000000, 0.0015926800000000 ] - [ 0.0037188500000000, -0.0003069000000000, 0.0030695500000000 ] - [ 0.0037152000000000, -0.0002995800000000, 0.0030645400000000 ] - [ 0.0012803700000000, 0.0004464300000000, 0.0015530400000000 ] - [ 0.0012607900000000, 0.0005012700000000, 0.0015666300000000 ] - [ -0.0006465900000000, 0.0000958700000000, -0.0023326800000000 ] - [ -0.0003799000000000, 0.0004234500000000, -0.0023059600000000 ] - [ -0.0026037600000000, -0.0007407900000000, -0.0008288400000000 ] - [ -0.0025999900000000, -0.0007309700000000, -0.0008196700000000 ] - [ -0.0007522000000000, -0.0001056600000000, -0.0024166700000000 ] - [ -0.0007652100000000, -0.0000786700000000, -0.0024091800000000 ] - [ -0.0021437300000000, 0.0003582400000000, -0.0007072200000000 ] - [ -0.0026598300000000, 0.0008771200000000, -0.0008952000000000 ] - [ 0.0016694600000000, 0.0007405800000000, 0.0008624000000000 ] - [ 0.0016626300000000, 0.0007422400000000, 0.0008534700000000 ] - [ 0.0046818400000000, 0.0026446200000000, -0.0020021400000000 ] - [ 0.0017838700000000, 0.0000290600000000, 0.0000805200000000 ] - [ 0.0013891700000000, -0.0004904600000000, 0.0002714300000000 ] - [ 0.0014008300000000, -0.0004835100000000, -0.0001138800000000 ] - [ 0.0031544100000000, -0.0012380200000000, 0.0030239100000000 ] - [ 0.0031393900000000, -0.0012242400000000, 0.0029733000000000 ] - [ 0.0020497200000000, -0.0005636000000000, 0.0007536200000000 ] - [ 0.0030833700000000, -0.0016796500000000, 0.0019522200000000 ] - [ 0.0013982700000000, -0.0000145700000000, -0.0000335300000000 ] - [ 0.0013971400000000, -0.0000145900000000, -0.0000479500000000 ] - [ 0.0013375800000000, 0.0004656100000000, -0.0000804300000000 ] - [ 0.0013568900000000, 0.0004618200000000, -0.0001224500000000 ] - [ 0.0032886000000000, 0.0012840700000000, 0.0030762500000000 ] - [ 0.0031412100000000, 0.0013076900000000, 0.0027905200000000 ] - [ 0.0052668800000000, 0.0039740200000000, 0.0047059100000000 ] - [ -0.0012810000000000, -0.0011563000000000, -0.0012562300000000 ] - [ -0.0013688800000000, 0.0012972200000000, -0.0011806700000000 ] - [ -0.0013688600000000, 0.0012970100000000, -0.0011798600000000 ] - [ -0.0009750200000000, 0.0004301200000000, -0.0010113200000000 ] - [ 0.0109068100000000, -0.0044189400000000, -0.0044047800000000 ] - [ -0.0014149500000000, -0.0002810500000000, -0.0003311300000000 ] - [ -0.0013932100000000, -0.0002646700000000, -0.0002107000000000 ] - [ -0.0009365300000000, -0.0005066400000000, -0.0010298900000000 ] - [ -0.0009333000000000, -0.0004986400000000, -0.0010264300000000 ] - [ -0.0013901500000000, 0.0002175500000000, -0.0003017700000000 ] - [ -0.0014043700000000, 0.0003443300000000, -0.0002705500000000 ] - [ -0.0023856700000000, -0.0009005100000000, -0.0007566700000000 ] - [ -0.0027345100000000, -0.0009483900000000, -0.0004442300000000 ] - [ -0.0019827000000000, -0.0007601900000000, 0.0010656900000000 ] - [ -0.0019933100000000, -0.0007572100000000, 0.0010751400000000 ] - [ -0.0022932200000000, 0.0011783400000000, -0.0005113300000000 ] - [ -0.0022879300000000, 0.0011967900000000, -0.0005242700000000 ] - [ -0.0025057600000000, 0.0005230000000000, 0.0012904800000000 ] - [ -0.0018170300000000, 0.0008144800000000, 0.0011259700000000 ] - [ -0.0004951300000000, 0.0010018900000000, 0.0001803400000000 ] - [ -0.0004903700000000, 0.0010027300000000, 0.0001911800000000 ] - [ -0.0008449400000000, -0.0006026500000000, 0.0002649900000000 ] - [ -0.0011521900000000, -0.0014892800000000, 0.0008673900000000 ]- atom: 1 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0363897500000000, -0.0030707300000000, 0.0055563500000000 ] - [ 0.0008099700000000, -0.0004152800000000, 0.0010012300000000 ] - [ 0.0003380700000000, -0.0004819300000000, -0.0000154900000000 ] - [ 0.0005155200000000, -0.0004891000000000, 0.0000248400000000 ] - [ 0.0006578300000000, 0.0004971100000000, 0.0008640900000000 ] - [ 0.0006587800000000, 0.0004868600000000, 0.0008631000000000 ] - [ 0.0003365600000000, 0.0003888800000000, -0.0000580800000000 ] - [ 0.0003712300000000, 0.0005677800000000, -0.0000053400000000 ] - [ -0.0006700200000000, -0.0009104200000000, -0.0001910600000000 ] - [ -0.0006481900000000, -0.0008973400000000, -0.0002168100000000 ] - [ -0.0019414400000000, -0.0016653900000000, 0.0027403300000000 ] - [ -0.0003868700000000, -0.0007147600000000, 0.0010411200000000 ] - [ -0.0008017300000000, 0.0010582600000000, -0.0001747500000000 ] - [ -0.0014161000000000, 0.0018681500000000, -0.0017593600000000 ] - [ -0.0002371800000000, 0.0007777900000000, 0.0010193200000000 ] - [ -0.0002390400000000, 0.0007533700000000, 0.0009957800000000 ] - [ 0.0033651700000000, 0.0021974600000000, -0.0008219000000000 ] - [ 0.0035793800000000, 0.0022514800000000, -0.0007312200000000 ] - [ -0.0008053500000000, -0.0001612100000000, 0.0013489100000000 ] - [ 0.0006306200000000, 0.0014613600000000, 0.0002871300000000 ] - [ 0.0035801800000000, -0.0022534400000000, -0.0006934700000000 ] - [ 0.0034800300000000, -0.0021438500000000, -0.0008133400000000 ] - [ 0.0023378300000000, -0.0001154100000000, 0.0006918400000000 ] - [ 0.0023378200000000, -0.0001094000000000, 0.0006893600000000 ] - [ 0.0012043000000000, 0.0006562700000000, 0.0000100600000000 ] - [ -0.0011246700000000, -0.0005147700000000, -0.0010581100000000 ] - [ 0.0004643400000000, -0.0023926800000000, -0.0014196300000000 ] - [ 0.0004198900000000, -0.0023846400000000, -0.0014088800000000 ] - [ -0.0013178300000000, 0.0001521900000000, 0.0003820500000000 ] - [ -0.0013112100000000, 0.0001907000000000, 0.0003555100000000 ] - [ 0.0009001400000000, 0.0037323600000000, 0.0006574900000000 ] - [ 0.0016905100000000, 0.0026942800000000, -0.0014982900000000 ] - [ -0.0105470600000000, 0.0035535300000000, -0.0084832700000000 ] - [ -0.0050349800000000, 0.0016481800000000, -0.0038779000000000 ] - [ -0.0008192700000000, 0.0006863500000000, 0.0000076600000000 ] - [ -0.0008693000000000, 0.0006276600000000, -0.0004528400000000 ] - [ 0.0009955400000000, 0.0013079400000000, 0.0024226700000000 ] - [ 0.0010059200000000, 0.0013077900000000, 0.0023720800000000 ] - [ -0.0052692900000000, -0.0014120800000000, -0.0038545800000000 ] - [ -0.0052695300000000, -0.0014126800000000, -0.0038454400000000 ] - [ -0.0009283400000000, -0.0006226500000000, -0.0004724600000000 ] - [ -0.0009222200000000, -0.0006229400000000, -0.0004514100000000 ] - [ -0.0044298000000000, 0.0045163600000000, 0.0007552600000000 ] - [ -0.0006146100000000, 0.0013664100000000, -0.0022207800000000 ] - [ 0.0011547000000000, -0.0014395400000000, 0.0022098500000000 ] - [ 0.0010434800000000, -0.0013215400000000, 0.0024154200000000 ] - [ 0.0035589400000000, 0.0001532500000000, 0.0031382900000000 ] - [ 0.0023232400000000, -0.0028576900000000, 0.0020800400000000 ] - [ -0.0006421400000000, -0.0015101300000000, -0.0020949300000000 ] - [ -0.0006421000000000, -0.0015108100000000, -0.0020976900000000 ] - [ 0.0012368100000000, -0.0004894500000000, 0.0016020500000000 ] - [ 0.0012634900000000, -0.0005841000000000, 0.0015695000000000 ] - [ 0.0037120400000000, -0.0003042300000000, 0.0030780500000000 ] - [ 0.0037156500000000, -0.0003115700000000, 0.0030831400000000 ] - [ 0.0012541000000000, 0.0005156000000000, 0.0016095100000000 ] - [ 0.0012736600000000, 0.0004607100000000, 0.0015959100000000 ] - [ -0.0008704900000000, 0.0000885600000000, -0.0024843900000000 ] - [ -0.0011332800000000, -0.0002376700000000, -0.0025102400000000 ] - [ -0.0026028400000000, -0.0007280700000000, -0.0008111700000000 ] - [ -0.0026064900000000, -0.0007376300000000, -0.0008202800000000 ] - [ -0.0007639000000000, -0.0000795600000000, -0.0024002800000000 ] - [ -0.0007509100000000, -0.0001065800000000, -0.0024078500000000 ] - [ -0.0030619300000000, 0.0011111100000000, -0.0009358700000000 ] - [ -0.0025468800000000, 0.0005914900000000, -0.0007448700000000 ] - [ 0.0016574900000000, 0.0007441300000000, 0.0008550400000000 ] - [ 0.0016643500000000, 0.0007424300000000, 0.0008639200000000 ] - [ -0.0018696600000000, -0.0025745600000000, 0.0018973900000000 ] - [ 0.0010163600000000, 0.0000006700000000, -0.0001455800000000 ] - [ 0.0013050900000000, -0.0004371700000000, -0.0004506600000000 ] - [ 0.0012942000000000, -0.0004436900000000, -0.0000659100000000 ] - [ 0.0031310100000000, -0.0012272800000000, 0.0029351200000000 ] - [ 0.0031459000000000, -0.0012411300000000, 0.0029855900000000 ] - [ 0.0012784100000000, -0.0009226600000000, 0.0009620800000000 ] - [ 0.0002232900000000, 0.0001933000000000, -0.0002289300000000 ] - [ 0.0014007900000000, -0.0000127800000000, -0.0000328200000000 ] - [ 0.0014019000000000, -0.0000127900000000, -0.0000182400000000 ] - [ 0.0013570100000000, 0.0004611300000000, -0.0000987800000000 ] - [ 0.0013375600000000, 0.0004649500000000, -0.0000563300000000 ] - [ 0.0029973700000000, 0.0011817000000000, 0.0028828700000000 ] - [ 0.0031452600000000, 0.0011591200000000, 0.0031723700000000 ] - [ -0.0078456400000000, -0.0064202500000000, -0.0068851900000000 ] - [ -0.0014557700000000, -0.0014420800000000, -0.0010914600000000 ] - [ -0.0013678800000000, 0.0013004600000000, -0.0011660900000000 ] - [ -0.0013679500000000, 0.0013007800000000, -0.0011668600000000 ] - [ -0.0008970400000000, 0.0005706300000000, -0.0010333600000000 ] - [ -0.0123433000000000, 0.0052103100000000, 0.0021973800000000 ] - [ -0.0013685100000000, -0.0003069700000000, -0.0002364800000000 ] - [ -0.0013900400000000, -0.0003224000000000, -0.0003560100000000 ] - [ -0.0009354300000000, -0.0004947200000000, -0.0010147700000000 ] - [ -0.0009386300000000, -0.0005027700000000, -0.0010182300000000 ] - [ -0.0013933800000000, 0.0003703600000000, -0.0002658100000000 ] - [ -0.0013789400000000, 0.0002435500000000, -0.0002970100000000 ] - [ -0.0021976300000000, -0.0014758700000000, -0.0002710700000000 ] - [ -0.0018533200000000, -0.0014271100000000, -0.0005836000000000 ] - [ -0.0019906700000000, -0.0007632900000000, 0.0010852800000000 ] - [ -0.0019804700000000, -0.0007660000000000, 0.0010754800000000 ] - [ -0.0022914900000000, 0.0011989800000000, -0.0005155300000000 ] - [ -0.0022967500000000, 0.0011805400000000, -0.0005026300000000 ] - [ -0.0014681700000000, 0.0010008900000000, 0.0008625300000000 ] - [ -0.0021571500000000, 0.0007096800000000, 0.0010237200000000 ] - [ -0.0004870000000000, 0.0009968200000000, 0.0002158800000000 ] - [ -0.0004918400000000, 0.0009960300000000, 0.0002049500000000 ] - [ -0.0001385100000000, -0.0013937100000000, 0.0001302000000000 ] - [ 0.0001687100000000, -0.0004991800000000, -0.0004844100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0031842100000000, -0.0341238500000000, -0.0022635900000000 ] - [ 0.0005838400000000, 0.0015315500000000, 0.0008215300000000 ] - [ 0.0003046700000000, 0.0000521700000000, -0.0000387800000000 ] - [ 0.0004095900000000, -0.0012705800000000, 0.0001684700000000 ] - [ 0.0006647900000000, 0.0005540400000000, 0.0009083500000000 ] - [ 0.0006545900000000, 0.0004192700000000, 0.0008972900000000 ] - [ 0.0002987300000000, -0.0001708300000000, 0.0000917400000000 ] - [ 0.0004269400000000, 0.0009268400000000, -0.0000352700000000 ] - [ -0.0006475600000000, -0.0010501400000000, -0.0001607400000000 ] - [ -0.0006376500000000, -0.0007768400000000, -0.0001682000000000 ] - [ -0.0005332900000000, -0.0036839000000000, 0.0014260400000000 ] - [ -0.0000314600000000, 0.0005025100000000, 0.0010432700000000 ] - [ -0.0007904200000000, 0.0021881300000000, -0.0000882500000000 ] - [ -0.0011042400000000, -0.0025099400000000, 0.0001503600000000 ] - [ -0.0002506800000000, 0.0008664000000000, 0.0010420800000000 ] - [ -0.0002280600000000, 0.0006527700000000, 0.0010460900000000 ] - [ 0.0035719400000000, 0.0022600000000000, -0.0011979800000000 ] - [ 0.0036204500000000, 0.0022736000000000, -0.0001843000000000 ] - [ 0.0024793300000000, 0.0018884800000000, -0.0001221800000000 ] - [ 0.0031409300000000, 0.0020951900000000, -0.0000245100000000 ] - [ 0.0034874000000000, -0.0021149300000000, -0.0002385100000000 ] - [ 0.0034321100000000, -0.0021489900000000, -0.0011566300000000 ] - [ 0.0023314600000000, -0.0001117600000000, 0.0007389200000000 ] - [ 0.0023442300000000, -0.0001079900000000, 0.0007257300000000 ] - [ -0.0023441000000000, 0.0008306500000000, -0.0017356900000000 ] - [ -0.0019240300000000, 0.0016867300000000, 0.0035943700000000 ] - [ 0.0004228000000000, -0.0023694600000000, -0.0014759400000000 ] - [ 0.0004000400000000, -0.0023973400000000, -0.0012423400000000 ] - [ -0.0013018400000000, 0.0001721700000000, 0.0005709000000000 ] - [ -0.0013094500000000, 0.0001971400000000, 0.0002947900000000 ] - [ 0.0008871900000000, 0.0045085400000000, 0.0013781500000000 ] - [ 0.0021339900000000, 0.0041924900000000, -0.0038115200000000 ] - [ -0.0075677100000000, 0.0033074100000000, -0.0062933300000000 ] - [ -0.0054184000000000, 0.0005986200000000, -0.0039341500000000 ] - [ -0.0008309400000000, 0.0008934600000000, 0.0000211900000000 ] - [ -0.0010333900000000, 0.0002605000000000, -0.0007118700000000 ] - [ 0.0009931600000000, 0.0013730300000000, 0.0024203800000000 ] - [ 0.0010201200000000, 0.0012652800000000, 0.0022954300000000 ] - [ -0.0052638400000000, -0.0014290200000000, -0.0038901500000000 ] - [ -0.0052758500000000, -0.0014012100000000, -0.0038401700000000 ] - [ -0.0009368200000000, -0.0006710100000000, -0.0005121300000000 ] - [ -0.0009072800000000, -0.0005753600000000, -0.0004263400000000 ] - [ -0.0053358100000000, 0.0051934500000000, 0.0019860400000000 ] - [ -0.0006025800000000, 0.0008919700000000, -0.0020318500000000 ] - [ 0.0011988300000000, -0.0016957300000000, 0.0020189800000000 ] - [ 0.0008216800000000, -0.0009917600000000, 0.0027556400000000 ] - [ 0.0035438300000000, -0.0003113800000000, 0.0033256000000000 ] - [ 0.0075451200000000, 0.0080317600000000, 0.0060292500000000 ] - [ -0.0006491100000000, -0.0015164700000000, -0.0020946900000000 ] - [ -0.0006390400000000, -0.0014832900000000, -0.0021482400000000 ] - [ 0.0012170200000000, -0.0006560900000000, 0.0018906000000000 ] - [ 0.0012504000000000, -0.0003353200000000, 0.0011542900000000 ] - [ 0.0037116000000000, -0.0002808700000000, 0.0030375200000000 ] - [ 0.0037234700000000, -0.0003201700000000, 0.0030798000000000 ] - [ 0.0012106000000000, 0.0005127100000000, 0.0014163500000000 ] - [ 0.0013221400000000, 0.0004271100000000, 0.0016722700000000 ] - [ -0.0010948200000000, -0.0006266400000000, -0.0020936200000000 ] - [ -0.0002274800000000, 0.0008349400000000, -0.0030297700000000 ] - [ -0.0026403500000000, -0.0007986400000000, -0.0008250200000000 ] - [ -0.0025663200000000, -0.0006837800000000, -0.0008444900000000 ] - [ -0.0007933900000000, -0.0000306000000000, -0.0024260000000000 ] - [ -0.0007248900000000, -0.0001558000000000, -0.0024094200000000 ] - [ -0.0029741200000000, 0.0014712600000000, -0.0015050600000000 ] - [ -0.0022891000000000, 0.0000807900000000, -0.0004306800000000 ] - [ 0.0016537200000000, 0.0007687100000000, 0.0008933500000000 ] - [ 0.0016795300000000, 0.0007099500000000, 0.0008097300000000 ] - [ 0.0043807300000000, 0.0048166800000000, -0.0032698900000000 ] - [ 0.0016912800000000, -0.0007478500000000, -0.0001075200000000 ] - [ 0.0011169900000000, -0.0000775100000000, 0.0006597200000000 ] - [ 0.0015714500000000, -0.0007949900000000, -0.0003599800000000 ] - [ 0.0031887500000000, -0.0011680500000000, 0.0030926400000000 ] - [ 0.0030992200000000, -0.0012908200000000, 0.0028984100000000 ] - [ 0.0013045300000000, -0.0014626300000000, 0.0009113700000000 ] - [ -0.0003894200000000, 0.0045126000000000, -0.0033813500000000 ] - [ 0.0013859600000000, -0.0000296100000000, -0.0000734600000000 ] - [ 0.0014066500000000, -0.0000002700000000, 0.0000006000000000 ] - [ 0.0013900300000000, 0.0004050800000000, -0.0001608600000000 ] - [ 0.0013026500000000, 0.0005326300000000, 0.0000145100000000 ] - [ 0.0029193800000000, 0.0010076100000000, 0.0027387300000000 ] - [ 0.0035319400000000, 0.0015186900000000, 0.0037991100000000 ] - [ 0.0032732700000000, 0.0040114200000000, 0.0020019500000000 ] - [ -0.0016521500000000, -0.0022411900000000, -0.0007513200000000 ] - [ -0.0013639300000000, 0.0012728600000000, -0.0011896100000000 ] - [ -0.0013745400000000, 0.0013177500000000, -0.0011877400000000 ] - [ -0.0006947000000000, -0.0005969600000000, -0.0007094700000000 ] - [ -0.0056128400000000, 0.0036522300000000, -0.0003757800000000 ] - [ -0.0013959100000000, -0.0005712600000000, -0.0002530700000000 ] - [ -0.0013785300000000, 0.0000285700000000, -0.0004033800000000 ] - [ -0.0009271700000000, -0.0004783700000000, -0.0010311800000000 ] - [ -0.0009397200000000, -0.0005299900000000, -0.0010386700000000 ] - [ -0.0013756900000000, 0.0005750700000000, -0.0003961900000000 ] - [ -0.0014037800000000, 0.0000629600000000, -0.0002358200000000 ] - [ -0.0021302500000000, -0.0014870900000000, -0.0002420800000000 ] - [ -0.0027988800000000, -0.0012002800000000, -0.0013822100000000 ] - [ -0.0019842600000000, -0.0008054400000000, 0.0011452200000000 ] - [ -0.0019766700000000, -0.0007145600000000, 0.0009719700000000 ] - [ -0.0022817400000000, 0.0012177000000000, -0.0005778000000000 ] - [ -0.0023053700000000, 0.0011629500000000, -0.0004743200000000 ] - [ -0.0016239800000000, 0.0007463600000000, 0.0003454000000000 ] - [ -0.0024766500000000, 0.0003523900000000, 0.0014000000000000 ] - [ -0.0004801700000000, 0.0010108600000000, 0.0002070400000000 ] - [ -0.0005037500000000, 0.0009887500000000, 0.0001628200000000 ] - [ -0.0002462800000000, -0.0017414400000000, -0.0001808800000000 ] - [ -0.0010428900000000, -0.0008746900000000, 0.0011199600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018175800000000, 0.0332750300000000, 0.0040035100000000 ] - [ 0.0007335600000000, -0.0025145800000000, 0.0009324000000000 ] - [ 0.0003878300000000, -0.0010238100000000, 0.0000133100000000 ] - [ 0.0002823300000000, 0.0003010900000000, -0.0001937700000000 ] - [ 0.0006520700000000, 0.0004277200000000, 0.0008445100000000 ] - [ 0.0006622400000000, 0.0005626700000000, 0.0008557000000000 ] - [ 0.0003939600000000, 0.0011428700000000, -0.0001169800000000 ] - [ 0.0002653700000000, 0.0000434800000000, 0.0000101500000000 ] - [ -0.0006477500000000, -0.0007604400000000, -0.0002271600000000 ] - [ -0.0006577300000000, -0.0010340600000000, -0.0002197500000000 ] - [ 0.0000682700000000, 0.0021554600000000, 0.0006121700000000 ] - [ -0.0004361300000000, -0.0020376000000000, 0.0009879400000000 ] - [ -0.0005040300000000, -0.0003787900000000, -0.0002986700000000 ] - [ -0.0001907900000000, 0.0043296500000000, -0.0005412100000000 ] - [ -0.0002175100000000, 0.0006659300000000, 0.0009907300000000 ] - [ -0.0002402500000000, 0.0008800000000000, 0.0009866600000000 ] - [ 0.0035210600000000, 0.0021433800000000, -0.0003064000000000 ] - [ 0.0034721400000000, 0.0021300300000000, -0.0013227000000000 ] - [ 0.0021959700000000, -0.0016669400000000, 0.0015334000000000 ] - [ 0.0015330400000000, -0.0018716000000000, 0.0014340100000000 ] - [ 0.0036055300000000, -0.0022885800000000, -0.0012684100000000 ] - [ 0.0036604800000000, -0.0022539900000000, -0.0003482800000000 ] - [ 0.0023466400000000, -0.0001133600000000, 0.0006710200000000 ] - [ 0.0023339500000000, -0.0001170900000000, 0.0006842700000000 ] - [ -0.0002958300000000, -0.0011910200000000, 0.0025163600000000 ] - [ -0.0007160700000000, -0.0020478400000000, -0.0028236800000000 ] - [ 0.0004245100000000, -0.0024223900000000, -0.0013169900000000 ] - [ 0.0004474000000000, -0.0023942100000000, -0.0015510100000000 ] - [ -0.0013350300000000, 0.0001802200000000, 0.0002095900000000 ] - [ -0.0013274300000000, 0.0001551800000000, 0.0004862800000000 ] - [ -0.0000482100000000, 0.0002799100000000, -0.0041731500000000 ] - [ -0.0012861500000000, 0.0005967900000000, 0.0010253000000000 ] - [ -0.0030128100000000, -0.0004772100000000, -0.0014499500000000 ] - [ -0.0051210200000000, 0.0022234800000000, -0.0037724100000000 ] - [ -0.0010124200000000, 0.0003557500000000, -0.0009425700000000 ] - [ -0.0008102900000000, 0.0009901000000000, -0.0002073200000000 ] - [ 0.0010244700000000, 0.0012645100000000, 0.0023085500000000 ] - [ 0.0009973000000000, 0.0013719700000000, 0.0024340400000000 ] - [ -0.0052748800000000, -0.0013969000000000, -0.0038164600000000 ] - [ -0.0052628600000000, -0.0014248500000000, -0.0038665800000000 ] - [ -0.0009074100000000, -0.0005782500000000, -0.0004076500000000 ] - [ -0.0009370100000000, -0.0006741800000000, -0.0004935400000000 ] - [ 0.0039338500000000, -0.0020891900000000, -0.0060563700000000 ] - [ -0.0006831800000000, 0.0021219600000000, -0.0021806100000000 ] - [ 0.0008184800000000, -0.0009402400000000, 0.0027106200000000 ] - [ 0.0011961900000000, -0.0016453100000000, 0.0019726900000000 ] - [ 0.0038902400000000, 0.0009226600000000, 0.0028287800000000 ] - [ -0.0002656900000000, -0.0076917600000000, -0.0000599500000000 ] - [ -0.0006373200000000, -0.0014953300000000, -0.0021155900000000 ] - [ -0.0006473600000000, -0.0015286800000000, -0.0020618700000000 ] - [ 0.0013178100000000, -0.0003044400000000, 0.0012707000000000 ] - [ 0.0012839100000000, -0.0006261400000000, 0.0020078100000000 ] - [ 0.0037193400000000, -0.0003310100000000, 0.0031110900000000 ] - [ 0.0037074000000000, -0.0002916100000000, 0.0030687300000000 ] - [ 0.0013241500000000, 0.0004488600000000, 0.0017457300000000 ] - [ 0.0012123900000000, 0.0005345300000000, 0.0014892700000000 ] - [ -0.0004203400000000, 0.0008146900000000, -0.0027237300000000 ] - [ -0.0012911300000000, -0.0006530800000000, -0.0017849600000000 ] - [ -0.0025655100000000, -0.0006692200000000, -0.0008149400000000 ] - [ -0.0026397100000000, -0.0007843500000000, -0.0007955400000000 ] - [ -0.0007218600000000, -0.0001551200000000, -0.0023915400000000 ] - [ -0.0007905400000000, -0.0000296600000000, -0.0024082500000000 ] - [ -0.0022317900000000, -0.0000040400000000, -0.0001362700000000 ] - [ -0.0029171900000000, 0.0013883400000000, -0.0012104000000000 ] - [ 0.0016739900000000, 0.0007150100000000, 0.0008228900000000 ] - [ 0.0016481600000000, 0.0007738600000000, 0.0009066500000000 ] - [ -0.0014915100000000, -0.0046791400000000, 0.0030706200000000 ] - [ 0.0011068900000000, 0.0007769000000000, 0.0000438400000000 ] - [ 0.0015773800000000, -0.0008507800000000, -0.0008395400000000 ] - [ 0.0011235800000000, -0.0001318400000000, 0.0001800700000000 ] - [ 0.0030977000000000, -0.0012976100000000, 0.0028665400000000 ] - [ 0.0031873400000000, -0.0011747600000000, 0.0030609900000000 ] - [ 0.0020244000000000, -0.0000186500000000, 0.0008027700000000 ] - [ 0.0037508300000000, -0.0061179100000000, 0.0052659600000000 ] - [ 0.0014142900000000, 0.0000034200000000, 0.0000083500000000 ] - [ 0.0013935100000000, -0.0000260600000000, -0.0000657800000000 ] - [ 0.0013051600000000, 0.0005226500000000, -0.0000198100000000 ] - [ 0.0013926500000000, 0.0003947700000000, -0.0001952900000000 ] - [ 0.0033678400000000, 0.0014593000000000, 0.0032206300000000 ] - [ 0.0027536600000000, 0.0009486300000000, 0.0021596400000000 ] - [ -0.0059028100000000, -0.0065637800000000, -0.0042675500000000 ] - [ -0.0010841800000000, -0.0003545800000000, -0.0015979300000000 ] - [ -0.0013723900000000, 0.0013253100000000, -0.0011576900000000 ] - [ -0.0013618100000000, 0.0012803800000000, -0.0011595800000000 ] - [ -0.0011777900000000, 0.0016005900000000, -0.0013348900000000 ] - [ 0.0037967600000000, -0.0026500600000000, -0.0016861800000000 ] - [ -0.0013875900000000, -0.0000156500000000, -0.0003149200000000 ] - [ -0.0014049900000000, -0.0006168200000000, -0.0001645100000000 ] - [ -0.0009441000000000, -0.0005233300000000, -0.0010131100000000 ] - [ -0.0009315100000000, -0.0004716400000000, -0.0010055600000000 ] - [ -0.0014078200000000, 0.0000125600000000, -0.0001718000000000 ] - [ -0.0013795900000000, 0.0005255800000000, -0.0003324200000000 ] - [ -0.0024550400000000, -0.0008849800000000, -0.0007866400000000 ] - [ -0.0017831300000000, -0.0011754900000000, 0.0003578100000000 ] - [ -0.0019895600000000, -0.0007170300000000, 0.0010053000000000 ] - [ -0.0019971400000000, -0.0008081000000000, 0.0011788900000000 ] - [ -0.0023031800000000, 0.0011590200000000, -0.0004496000000000 ] - [ -0.0022794700000000, 0.0012138800000000, -0.0005533400000000 ] - [ -0.0023496100000000, 0.0007771600000000, 0.0018078000000000 ] - [ -0.0014966500000000, 0.0011705500000000, 0.0007497400000000 ] - [ -0.0005024800000000, 0.0009877500000000, 0.0001875200000000 ] - [ -0.0004789200000000, 0.0010098700000000, 0.0002318900000000 ] - [ -0.0007364500000000, -0.0002537300000000, 0.0005750700000000 ] - [ 0.0000625400000000, -0.0011246000000000, -0.0007275600000000 ]- atom: 1 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ -0.0027301700000000, -0.0037932500000000, -0.0302996600000000 ] - [ 0.0005371200000000, -0.0005433600000000, -0.0014567800000000 ] - [ 0.0003125400000000, -0.0005753600000000, 0.0005161000000000 ] - [ 0.0003812500000000, -0.0005755200000000, 0.0010787500000000 ] - [ 0.0006707700000000, 0.0004592200000000, 0.0016601300000000 ] - [ 0.0006718300000000, 0.0004699900000000, 0.0016854200000000 ] - [ 0.0002297300000000, 0.0005049000000000, 0.0009450800000000 ] - [ 0.0003351000000000, 0.0005201500000000, 0.0005339400000000 ] - [ -0.0006335900000000, -0.0008578900000000, 0.0005405400000000 ] - [ -0.0006326300000000, -0.0008859000000000, 0.0004345300000000 ] - [ -0.0006821500000000, -0.0001025800000000, 0.0023900100000000 ] - [ -0.0001778000000000, -0.0008286000000000, 0.0005433200000000 ] - [ -0.0006875000000000, 0.0010871900000000, -0.0004252100000000 ] - [ 0.0004085700000000, 0.0009432700000000, 0.0016680400000000 ] - [ -0.0002409000000000, 0.0007793100000000, 0.0016446400000000 ] - [ -0.0002307300000000, 0.0007818000000000, 0.0017434800000000 ] - [ 0.0035300400000000, 0.0020078200000000, 0.0000174800000000 ] - [ 0.0036124200000000, 0.0024004400000000, -0.0001427800000000 ] - [ 0.0021498200000000, 0.0004451400000000, -0.0048795500000000 ] - [ 0.0027679500000000, 0.0011825400000000, -0.0025608400000000 ] - [ 0.0035341900000000, -0.0020126900000000, -0.0000161000000000 ] - [ 0.0037138600000000, -0.0023921200000000, -0.0000316100000000 ] - [ 0.0023477500000000, -0.0000752300000000, 0.0014978800000000 ] - [ 0.0023476700000000, -0.0000769500000000, 0.0014927900000000 ] - [ -0.0007936200000000, -0.0022503700000000, 0.0015284000000000 ] - [ -0.0011136900000000, 0.0016818900000000, 0.0008232400000000 ] - [ 0.0004374900000000, -0.0024654000000000, -0.0003444700000000 ] - [ 0.0004221000000000, -0.0023057900000000, -0.0003882900000000 ] - [ -0.0013128400000000, 0.0002443000000000, 0.0013877300000000 ] - [ -0.0013500300000000, 0.0001159200000000, 0.0013653200000000 ] - [ 0.0005876500000000, 0.0046581100000000, -0.0000890900000000 ] - [ -0.0017453300000000, -0.0000024800000000, 0.0000105100000000 ] - [ -0.0008412400000000, -0.0003920100000000, 0.0009809000000000 ] - [ -0.0053619700000000, 0.0008987300000000, -0.0033831900000000 ] - [ -0.0008979700000000, 0.0007237900000000, -0.0007383600000000 ] - [ -0.0009798700000000, 0.0004751500000000, -0.0005293600000000 ] - [ 0.0010056500000000, 0.0014322700000000, 0.0019597800000000 ] - [ 0.0010125100000000, 0.0013569100000000, 0.0020550300000000 ] - [ -0.0052864300000000, -0.0014574300000000, -0.0042040500000000 ] - [ -0.0052917800000000, -0.0014467100000000, -0.0042176200000000 ] - [ -0.0009037800000000, -0.0006128800000000, -0.0007323400000000 ] - [ -0.0008842800000000, -0.0005405600000000, -0.0007882200000000 ] - [ -0.0049149700000000, 0.0061276700000000, 0.0032516500000000 ] - [ -0.0003325400000000, 0.0023701400000000, -0.0006906400000000 ] - [ 0.0011190200000000, -0.0015443000000000, 0.0021750400000000 ] - [ 0.0009981400000000, -0.0012504000000000, 0.0021207700000000 ] - [ 0.0033465900000000, 0.0010757100000000, 0.0044159000000000 ] - [ 0.0051904100000000, 0.0042300400000000, 0.0052921100000000 ] - [ -0.0006848600000000, -0.0013046000000000, -0.0025821900000000 ] - [ -0.0006882400000000, -0.0013191000000000, -0.0025816100000000 ] - [ 0.0012692300000000, -0.0002572700000000, 0.0012324800000000 ] - [ 0.0010398300000000, -0.0006422700000000, 0.0011869900000000 ] - [ 0.0037766200000000, -0.0001520000000000, 0.0026365400000000 ] - [ 0.0037717500000000, -0.0001486000000000, 0.0026478200000000 ] - [ 0.0012586500000000, 0.0003193400000000, 0.0011750300000000 ] - [ 0.0012144500000000, 0.0004662100000000, 0.0012795500000000 ] - [ -0.0006510700000000, 0.0004966300000000, -0.0024001500000000 ] - [ -0.0009742700000000, -0.0008654100000000, -0.0030968500000000 ] - [ -0.0026035500000000, -0.0008270800000000, -0.0011050400000000 ] - [ -0.0026318900000000, -0.0009276500000000, -0.0011758500000000 ] - [ -0.0007504800000000, -0.0001774800000000, -0.0026624800000000 ] - [ -0.0007687200000000, -0.0001258700000000, -0.0026233600000000 ] - [ -0.0024197500000000, 0.0005357400000000, -0.0012200500000000 ] - [ -0.0026931600000000, 0.0010529100000000, -0.0008928100000000 ] - [ 0.0017173700000000, 0.0006045100000000, 0.0004565700000000 ] - [ 0.0017226100000000, 0.0006067700000000, 0.0004859200000000 ] - [ -0.0006352800000000, -0.0035890700000000, 0.0042459900000000 ] - [ 0.0017400800000000, -0.0004389300000000, 0.0004811600000000 ] - [ 0.0014462800000000, -0.0003745500000000, -0.0004376200000000 ] - [ 0.0014466000000000, -0.0006290500000000, -0.0001845800000000 ] - [ 0.0030233500000000, -0.0011814500000000, 0.0025736300000000 ] - [ 0.0030411900000000, -0.0012275800000000, 0.0026746900000000 ] - [ 0.0013686600000000, -0.0014929900000000, 0.0014102100000000 ] - [ 0.0044391100000000, -0.0057765300000000, 0.0058834400000000 ] - [ 0.0012991300000000, -0.0000687400000000, -0.0003838900000000 ] - [ 0.0013025600000000, -0.0000607600000000, -0.0004126100000000 ] - [ 0.0014380000000000, 0.0004643100000000, -0.0003638600000000 ] - [ 0.0014484500000000, 0.0005183300000000, -0.0004583900000000 ] - [ 0.0029709900000000, 0.0010433100000000, 0.0028328000000000 ] - [ 0.0030309500000000, 0.0013230800000000, 0.0023334300000000 ] - [ 0.0035447900000000, 0.0020721200000000, 0.0052686600000000 ] - [ -0.0014303900000000, -0.0013919100000000, -0.0001059400000000 ] - [ -0.0013976400000000, 0.0011920000000000, -0.0016005200000000 ] - [ -0.0013978100000000, 0.0011775900000000, -0.0016243600000000 ] - [ -0.0010303400000000, 0.0003509600000000, -0.0001915200000000 ] - [ -0.0051058200000000, 0.0014046800000000, 0.0016038500000000 ] - [ -0.0014222500000000, -0.0002334200000000, -0.0005324400000000 ] - [ -0.0013358400000000, -0.0003612500000000, -0.0007565200000000 ] - [ -0.0008738600000000, -0.0006029000000000, -0.0013955200000000 ] - [ -0.0008751800000000, -0.0005931500000000, -0.0013747100000000 ] - [ -0.0014339000000000, 0.0002729200000000, -0.0007428400000000 ] - [ -0.0013838800000000, 0.0003236200000000, -0.0005593900000000 ] - [ -0.0023987500000000, -0.0006602900000000, -0.0006213100000000 ] - [ -0.0022748900000000, -0.0015503000000000, -0.0006548700000000 ] - [ -0.0018793300000000, -0.0007020600000000, 0.0007582700000000 ] - [ -0.0018537900000000, -0.0007667500000000, 0.0007587200000000 ] - [ -0.0023344400000000, 0.0011894900000000, -0.0008034200000000 ] - [ -0.0023230000000000, 0.0012283300000000, -0.0007867000000000 ] - [ -0.0020050400000000, 0.0003626200000000, 0.0007087900000000 ] - [ -0.0016367300000000, 0.0011349000000000, 0.0009671900000000 ] - [ -0.0005427300000000, 0.0010406400000000, -0.0002101800000000 ] - [ -0.0005442100000000, 0.0010245800000000, -0.0001857400000000 ] - [ -0.0000766500000000, -0.0015369500000000, 0.0006644800000000 ] - [ 0.0001027400000000, -0.0002042900000000, 0.0006208100000000 ]- atom: 1 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0040398700000000, 0.0026413100000000, 0.0319207400000000 ] - [ 0.0007805600000000, -0.0004371700000000, 0.0032059500000000 ] - [ 0.0003795300000000, -0.0003959500000000, -0.0005395900000000 ] - [ 0.0003100800000000, -0.0003923500000000, -0.0011066100000000 ] - [ 0.0006474100000000, 0.0005218300000000, 0.0000929900000000 ] - [ 0.0006463000000000, 0.0005110600000000, 0.0000677900000000 ] - [ 0.0004624000000000, 0.0004650000000000, -0.0009676700000000 ] - [ 0.0003570200000000, 0.0004505500000000, -0.0005585600000000 ] - [ -0.0006614700000000, -0.0009530500000000, -0.0009279400000000 ] - [ -0.0006624800000000, -0.0009251900000000, -0.0008215300000000 ] - [ 0.0002263000000000, -0.0014292600000000, -0.0003546100000000 ] - [ -0.0002892200000000, -0.0007035600000000, 0.0014901100000000 ] - [ -0.0006072600000000, 0.0007237600000000, 0.0000362800000000 ] - [ -0.0016935500000000, 0.0008691300000000, -0.0020450500000000 ] - [ -0.0002273100000000, 0.0007526900000000, 0.0003890000000000 ] - [ -0.0002370900000000, 0.0007504200000000, 0.0002901400000000 ] - [ 0.0035649300000000, 0.0023978900000000, -0.0015205200000000 ] - [ 0.0034821300000000, 0.0020040700000000, -0.0013601000000000 ] - [ 0.0025289900000000, -0.0002213300000000, 0.0062881600000000 ] - [ 0.0019110300000000, -0.0009477700000000, 0.0039615000000000 ] - [ 0.0035607900000000, -0.0023920100000000, -0.0014884500000000 ] - [ 0.0033810300000000, -0.0020135200000000, -0.0014725300000000 ] - [ 0.0023304600000000, -0.0001509500000000, -0.0000867400000000 ] - [ 0.0023305800000000, -0.0001493200000000, -0.0000816600000000 ] - [ -0.0018441000000000, 0.0018995100000000, -0.0007462800000000 ] - [ -0.0015334600000000, -0.0020396000000000, -0.0000278100000000 ] - [ 0.0004098300000000, -0.0023258000000000, -0.0024478500000000 ] - [ 0.0004252300000000, -0.0024859500000000, -0.0024042300000000 ] - [ -0.0013242200000000, 0.0001070900000000, -0.0006057000000000 ] - [ -0.0012870900000000, 0.0002349200000000, -0.0005834200000000 ] - [ 0.0002522400000000, 0.0001386600000000, -0.0027087400000000 ] - [ 0.0025929500000000, 0.0047867900000000, -0.0027995300000000 ] - [ -0.0098299300000000, 0.0032950700000000, -0.0087821000000000 ] - [ -0.0051753200000000, 0.0019255200000000, -0.0043267300000000 ] - [ -0.0009439500000000, 0.0005255000000000, -0.0001813100000000 ] - [ -0.0008631500000000, 0.0007753100000000, -0.0003893400000000 ] - [ 0.0010133000000000, 0.0012057400000000, 0.0027682300000000 ] - [ 0.0010062200000000, 0.0012812600000000, 0.0026729400000000 ] - [ -0.0052505100000000, -0.0013704000000000, -0.0035058400000000 ] - [ -0.0052452200000000, -0.0013810800000000, -0.0034922900000000 ] - [ -0.0009396200000000, -0.0006377700000000, -0.0001857000000000 ] - [ -0.0009590800000000, -0.0007098500000000, -0.0001300900000000 ] - [ 0.0035185400000000, -0.0029738300000000, -0.0073799900000000 ] - [ -0.0009512800000000, 0.0006474100000000, -0.0035144600000000 ] - [ 0.0008997900000000, -0.0010938200000000, 0.0025535300000000 ] - [ 0.0010208800000000, -0.0013867600000000, 0.0026074800000000 ] - [ 0.0040850900000000, -0.0004679500000000, 0.0017305500000000 ] - [ 0.0022131900000000, -0.0036815700000000, 0.0008423200000000 ] - [ -0.0006008000000000, -0.0017093400000000, -0.0016259600000000 ] - [ -0.0005973100000000, -0.0016948600000000, -0.0016263300000000 ] - [ 0.0012656400000000, -0.0007060300000000, 0.0019302600000000 ] - [ 0.0014975100000000, -0.0003188900000000, 0.0019770200000000 ] - [ 0.0036553000000000, -0.0004578000000000, 0.0035084700000000 ] - [ 0.0036600700000000, -0.0004612000000000, 0.0034973000000000 ] - [ 0.0012764500000000, 0.0006434600000000, 0.0019877400000000 ] - [ 0.0013203700000000, 0.0004972100000000, 0.0018837500000000 ] - [ -0.0008663000000000, -0.0003117200000000, -0.0024164800000000 ] - [ -0.0005437900000000, 0.0010624600000000, -0.0017062100000000 ] - [ -0.0026039500000000, -0.0006432700000000, -0.0005366200000000 ] - [ -0.0025756400000000, -0.0005424200000000, -0.0004655300000000 ] - [ -0.0007669200000000, -0.0000070600000000, -0.0021539200000000 ] - [ -0.0007487600000000, -0.0000584900000000, -0.0021930100000000 ] - [ -0.0027856000000000, 0.0009301200000000, -0.0004216400000000 ] - [ -0.0025144500000000, 0.0004173500000000, -0.0007483400000000 ] - [ 0.0016089000000000, 0.0008811600000000, 0.0012607500000000 ] - [ 0.0016036300000000, 0.0008789800000000, 0.0012314600000000 ] - [ 0.0035077500000000, 0.0037516600000000, -0.0044136800000000 ] - [ 0.0010583200000000, 0.0004666900000000, -0.0005492200000000 ] - [ 0.0012467700000000, -0.0005526400000000, 0.0002580500000000 ] - [ 0.0012475000000000, -0.0002955600000000, 0.0000061100000000 ] - [ 0.0032607200000000, -0.0012832100000000, 0.0033840000000000 ] - [ 0.0032429100000000, -0.0012367200000000, 0.0032828300000000 ] - [ 0.0019575100000000, 0.0000055600000000, 0.0003075200000000 ] - [ -0.0010638400000000, 0.0040969500000000, -0.0040029300000000 ] - [ 0.0014989000000000, 0.0000398700000000, 0.0003155100000000 ] - [ 0.0014954400000000, 0.0000319300000000, 0.0003442300000000 ] - [ 0.0012558000000000, 0.0004610400000000, 0.0001858000000000 ] - [ 0.0012453400000000, 0.0004071900000000, 0.0002801600000000 ] - [ 0.0033136400000000, 0.0014204500000000, 0.0031256600000000 ] - [ 0.0032533700000000, 0.0011434400000000, 0.0036248400000000 ] - [ -0.0061669800000000, -0.0045879000000000, -0.0075634500000000 ] - [ -0.0013078200000000, -0.0012040700000000, -0.0022388300000000 ] - [ -0.0013397400000000, 0.0014043200000000, -0.0007463800000000 ] - [ -0.0013396100000000, 0.0014187900000000, -0.0007224400000000 ] - [ -0.0008421300000000, 0.0006484600000000, -0.0018526400000000 ] - [ 0.0032740200000000, -0.0004194200000000, -0.0036422300000000 ] - [ -0.0013607400000000, -0.0003541700000000, -0.0000356900000000 ] - [ -0.0014479000000000, -0.0002268900000000, 0.0001892100000000 ] - [ -0.0009983200000000, -0.0003980600000000, -0.0006505200000000 ] - [ -0.0009969500000000, -0.0004077900000000, -0.0006712500000000 ] - [ -0.0013493100000000, 0.0003147600000000, 0.0001747800000000 ] - [ -0.0013990200000000, 0.0002642500000000, -0.0000081000000000 ] - [ -0.0021858900000000, -0.0017159900000000, -0.0004064900000000 ] - [ -0.0023095700000000, -0.0008286900000000, -0.0003748900000000 ] - [ -0.0020925700000000, -0.0008223100000000, 0.0013913300000000 ] - [ -0.0021181200000000, -0.0007574400000000, 0.0013910700000000 ] - [ -0.0022498400000000, 0.0011888900000000, -0.0002231100000000 ] - [ -0.0022612900000000, 0.0011501500000000, -0.0002398400000000 ] - [ -0.0019676900000000, 0.0011604100000000, 0.0014418400000000 ] - [ -0.0023351500000000, 0.0003899200000000, 0.0011828400000000 ] - [ -0.0004386100000000, 0.0009586900000000, 0.0006068100000000 ] - [ -0.0004370900000000, 0.0009748900000000, 0.0005823700000000 ] - [ -0.0009050300000000, -0.0004603500000000, -0.0002671500000000 ] - [ -0.0010805400000000, -0.0017914700000000, -0.0002235400000000 ]- atom: 3 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0006662100000000, -0.0005320400000000, 0.0008428700000000 ] - [ 0.0004891800000000, -0.0004280100000000, 0.0009049500000000 ] - [ -0.0382516300000000, -0.0032697400000000, 0.0030814600000000 ] - [ 0.0001712400000000, -0.0004433300000000, 0.0001949200000000 ] - [ 0.0006678200000000, 0.0005380600000000, 0.0007599400000000 ] - [ 0.0006329800000000, 0.0004103700000000, 0.0008641500000000 ] - [ 0.0003450900000000, 0.0004740400000000, -0.0000345000000000 ] - [ 0.0003497700000000, 0.0004963000000000, -0.0000334900000000 ] - [ -0.0004371800000000, -0.0010658200000000, -0.0001287300000000 ] - [ 0.0011175900000000, -0.0005276700000000, -0.0016867500000000 ] - [ -0.0000948900000000, -0.0008691200000000, 0.0009686800000000 ] - [ 0.0014699600000000, -0.0003326300000000, 0.0026073600000000 ] - [ -0.0006491700000000, 0.0009169300000000, -0.0002020800000000 ] - [ -0.0006438300000000, 0.0008918900000000, -0.0002166100000000 ] - [ -0.0002463600000000, 0.0007894400000000, 0.0010013400000000 ] - [ -0.0002279400000000, 0.0007463300000000, 0.0009962300000000 ] - [ 0.0051751700000000, 0.0004428200000000, -0.0005890800000000 ] - [ 0.0057542800000000, 0.0024735700000000, -0.0007109400000000 ] - [ 0.0022872400000000, 0.0000615300000000, 0.0007191500000000 ] - [ 0.0025217400000000, 0.0000662600000000, 0.0006217200000000 ] - [ 0.0035450600000000, -0.0022030200000000, -0.0007761400000000 ] - [ 0.0035464400000000, -0.0022003300000000, -0.0007736300000000 ] - [ 0.0022980700000000, -0.0001537800000000, 0.0006278100000000 ] - [ 0.0023928500000000, -0.0001904600000000, 0.0008091200000000 ] - [ -0.0014900900000000, -0.0005304500000000, -0.0008832400000000 ] - [ -0.0036905400000000, -0.0010371200000000, 0.0000527500000000 ] - [ 0.0001224300000000, -0.0030641300000000, -0.0013687800000000 ] - [ -0.0020632500000000, -0.0033681200000000, -0.0009647700000000 ] - [ -0.0013147300000000, 0.0001689500000000, 0.0003384200000000 ] - [ -0.0013140100000000, 0.0001806300000000, 0.0003826100000000 ] - [ 0.0004228000000000, 0.0023900200000000, -0.0014080200000000 ] - [ 0.0004197600000000, 0.0023814300000000, -0.0014566000000000 ] - [ -0.0052915800000000, 0.0014547100000000, -0.0038612500000000 ] - [ -0.0053135000000000, 0.0014335700000000, -0.0033083300000000 ] - [ -0.0010988200000000, 0.0005261200000000, -0.0004214100000000 ] - [ 0.0057593800000000, -0.0028873900000000, -0.0061408100000000 ] - [ 0.0009660500000000, 0.0013451600000000, 0.0022518100000000 ] - [ 0.0058227400000000, -0.0010864600000000, 0.0060896100000000 ] - [ -0.0052608800000000, -0.0014146400000000, -0.0038163100000000 ] - [ -0.0052601000000000, -0.0014029300000000, -0.0038599700000000 ] - [ -0.0009218800000000, -0.0006294800000000, -0.0004437900000000 ] - [ -0.0009240200000000, -0.0006234500000000, -0.0004562800000000 ] - [ -0.0006468900000000, 0.0015240300000000, -0.0021009600000000 ] - [ -0.0006307300000000, 0.0015397500000000, -0.0020427500000000 ] - [ 0.0010085200000000, -0.0013184500000000, 0.0023714200000000 ] - [ 0.0010060800000000, -0.0013121500000000, 0.0023803500000000 ] - [ 0.0038549200000000, 0.0004329600000000, 0.0028592900000000 ] - [ 0.0037272700000000, 0.0003472000000000, 0.0031268200000000 ] - [ -0.0005242300000000, -0.0015107300000000, -0.0017917900000000 ] - [ -0.0006642700000000, -0.0014339000000000, -0.0022048500000000 ] - [ 0.0030562000000000, 0.0062774200000000, 0.0009324600000000 ] - [ 0.0014901400000000, -0.0001405200000000, 0.0016165900000000 ] - [ 0.0037041900000000, -0.0002965700000000, 0.0031006200000000 ] - [ 0.0037366500000000, -0.0003243500000000, 0.0030744600000000 ] - [ 0.0012673600000000, 0.0004853700000000, 0.0015934100000000 ] - [ 0.0012696900000000, 0.0004802700000000, 0.0015872800000000 ] - [ 0.0003885200000000, 0.0005131500000000, -0.0019149600000000 ] - [ -0.0006124500000000, 0.0000348200000000, -0.0024426400000000 ] - [ -0.0015879800000000, -0.0005370800000000, -0.0018561900000000 ] - [ -0.0025001500000000, -0.0010511500000000, -0.0007884400000000 ] - [ -0.0007631500000000, -0.0000821200000000, -0.0023968600000000 ] - [ -0.0007526300000000, -0.0001008400000000, -0.0024097600000000 ] - [ -0.0026060300000000, 0.0007366900000000, -0.0008150800000000 ] - [ -0.0025929900000000, 0.0007193500000000, -0.0008026500000000 ] - [ 0.0015826500000000, 0.0008258500000000, 0.0009240900000000 ] - [ 0.0018348600000000, 0.0007757100000000, 0.0011462900000000 ] - [ 0.0014108500000000, 0.0000262000000000, -0.0000172100000000 ] - [ 0.0014254000000000, 0.0000036500000000, -0.0003875700000000 ] - [ 0.0016367000000000, -0.0004811500000000, -0.0000759900000000 ] - [ 0.0043705800000000, 0.0028001000000000, 0.0021839500000000 ] - [ 0.0031678500000000, -0.0011357700000000, 0.0029086000000000 ] - [ 0.0058099000000000, 0.0015219200000000, 0.0012380500000000 ] - [ 0.0016624300000000, -0.0007464700000000, 0.0008603800000000 ] - [ 0.0016663100000000, -0.0007411900000000, 0.0008719400000000 ] - [ 0.0014016700000000, -0.0000138600000000, -0.0000066500000000 ] - [ 0.0013914600000000, -0.0000040200000000, -0.0000351100000000 ] - [ 0.0013433700000000, 0.0004594000000000, -0.0000771800000000 ] - [ 0.0013477000000000, 0.0004657900000000, -0.0000844900000000 ] - [ 0.0031470500000000, 0.0012324300000000, 0.0029866000000000 ] - [ 0.0031496300000000, 0.0012362900000000, 0.0029930000000000 ] - [ -0.0013571200000000, -0.0012827600000000, -0.0011672500000000 ] - [ -0.0013868000000000, -0.0012990600000000, -0.0011894200000000 ] - [ -0.0013443000000000, 0.0013224700000000, -0.0011782000000000 ] - [ -0.0013992800000000, 0.0013251200000000, -0.0011867700000000 ] - [ -0.0009176200000000, 0.0005444800000000, -0.0010552700000000 ] - [ -0.0009678700000000, 0.0005087500000000, -0.0009760000000000 ] - [ 0.0143500400000000, -0.0030916600000000, -0.0000441000000000 ] - [ -0.0014216000000000, -0.0002305300000000, -0.0003349900000000 ] - [ -0.0009240400000000, -0.0004664200000000, -0.0009964800000000 ] - [ -0.0009841000000000, -0.0005399400000000, -0.0010363500000000 ] - [ -0.0013910200000000, 0.0002984800000000, -0.0002727300000000 ] - [ -0.0013911200000000, 0.0002878200000000, -0.0002734400000000 ] - [ -0.0027441400000000, -0.0009385800000000, -0.0006199000000000 ] - [ -0.0024626700000000, -0.0007727500000000, -0.0003568200000000 ] - [ -0.0023386500000000, -0.0006715900000000, 0.0011714600000000 ] - [ -0.0022119000000000, -0.0002330900000000, 0.0009482800000000 ] - [ -0.0022882500000000, 0.0011917100000000, -0.0005006600000000 ] - [ -0.0022924300000000, 0.0011834100000000, -0.0005081700000000 ] - [ -0.0019871000000000, 0.0007654000000000, 0.0010827100000000 ] - [ -0.0019981900000000, 0.0007567100000000, 0.0010883100000000 ] - [ -0.0003979100000000, 0.0010724100000000, 0.0002349700000000 ] - [ -0.0005902600000000, 0.0011273400000000, -0.0003237500000000 ] - [ -0.0004896200000000, -0.0010020100000000, 0.0001963100000000 ] - [ -0.0004899400000000, -0.0009917700000000, 0.0002203800000000 ]- atom: 3 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0006508500000000, -0.0004487900000000, 0.0009100400000000 ] - [ 0.0008280300000000, -0.0005548600000000, 0.0008470600000000 ] - [ 0.0385131900000000, 0.0021704500000000, -0.0031971700000000 ] - [ 0.0005216200000000, -0.0005253100000000, -0.0002201800000000 ] - [ 0.0006488000000000, 0.0004425100000000, 0.0009934200000000 ] - [ 0.0006840500000000, 0.0005717900000000, 0.0008886200000000 ] - [ 0.0003477900000000, 0.0004967500000000, 0.0000090800000000 ] - [ 0.0003430500000000, 0.0004741300000000, 0.0000082000000000 ] - [ -0.0008577700000000, -0.0007445300000000, -0.0002588300000000 ] - [ -0.0024145400000000, -0.0012792700000000, 0.0012785000000000 ] - [ -0.0003722000000000, -0.0006633100000000, 0.0010637600000000 ] - [ -0.0019403600000000, -0.0011950200000000, -0.0005507100000000 ] - [ -0.0006458000000000, 0.0008935400000000, -0.0001852500000000 ] - [ -0.0006513100000000, 0.0009189600000000, -0.0001707200000000 ] - [ -0.0002215800000000, 0.0007425500000000, 0.0010310100000000 ] - [ -0.0002401600000000, 0.0007860200000000, 0.0010360400000000 ] - [ 0.0019311500000000, 0.0039416900000000, -0.0009142000000000 ] - [ 0.0013384900000000, 0.0019437600000000, -0.0007949300000000 ] - [ 0.0023916400000000, 0.0001638700000000, 0.0006908300000000 ] - [ 0.0021563800000000, 0.0001594100000000, 0.0007883500000000 ] - [ 0.0035477000000000, -0.0021999400000000, -0.0007294400000000 ] - [ 0.0035463200000000, -0.0022026100000000, -0.0007319000000000 ] - [ 0.0023806900000000, -0.0000704900000000, 0.0007823800000000 ] - [ 0.0022856800000000, -0.0000345900000000, 0.0006000700000000 ] - [ -0.0011391900000000, 0.0001855700000000, 0.0016604900000000 ] - [ 0.0010532000000000, 0.0006941400000000, 0.0007338300000000 ] - [ 0.0007395100000000, -0.0017198100000000, -0.0014234500000000 ] - [ 0.0029092600000000, -0.0014190900000000, -0.0018340800000000 ] - [ -0.0013218100000000, 0.0001829200000000, 0.0004426600000000 ] - [ -0.0013225400000000, 0.0001709500000000, 0.0003980900000000 ] - [ 0.0004251300000000, 0.0024023600000000, -0.0013849300000000 ] - [ 0.0004283000000000, 0.0024109800000000, -0.0013360100000000 ] - [ -0.0052472700000000, 0.0013716000000000, -0.0038456200000000 ] - [ -0.0052235700000000, 0.0013920000000000, -0.0044021200000000 ] - [ -0.0007471300000000, 0.0007217700000000, -0.0004981900000000 ] - [ -0.0077861100000000, 0.0042663500000000, 0.0054039700000000 ] - [ 0.0010507000000000, 0.0012922600000000, 0.0024783200000000 ] - [ -0.0039387200000000, 0.0038209700000000, -0.0014984000000000 ] - [ -0.0052772000000000, -0.0014116200000000, -0.0038907000000000 ] - [ -0.0052780700000000, -0.0014235000000000, -0.0038467500000000 ] - [ -0.0009219800000000, -0.0006201600000000, -0.0004759700000000 ] - [ -0.0009198200000000, -0.0006263000000000, -0.0004633100000000 ] - [ -0.0006391600000000, 0.0014880400000000, -0.0021093200000000 ] - [ -0.0006555000000000, 0.0014722200000000, -0.0021679400000000 ] - [ 0.0010097000000000, -0.0013186100000000, 0.0023579100000000 ] - [ 0.0010121700000000, -0.0013249500000000, 0.0023488500000000 ] - [ 0.0035744000000000, 0.0001788800000000, 0.0032902500000000 ] - [ 0.0037042500000000, 0.0002640600000000, 0.0030206000000000 ] - [ -0.0007635300000000, -0.0015016500000000, -0.0024199100000000 ] - [ -0.0006214500000000, -0.0015791700000000, -0.0020039800000000 ] - [ -0.0005043700000000, -0.0073066800000000, 0.0022451000000000 ] - [ 0.0010439200000000, -0.0008253500000000, 0.0015466000000000 ] - [ 0.0037273700000000, -0.0003155400000000, 0.0030479100000000 ] - [ 0.0036946200000000, -0.0002875200000000, 0.0030742800000000 ] - [ 0.0012677500000000, 0.0004762100000000, 0.0015682900000000 ] - [ 0.0012654000000000, 0.0004813600000000, 0.0015745200000000 ] - [ -0.0019011700000000, -0.0003288000000000, -0.0029026900000000 ] - [ -0.0009041900000000, 0.0001496100000000, -0.0023742700000000 ] - [ -0.0036256700000000, -0.0009313300000000, 0.0002214100000000 ] - [ -0.0027067200000000, -0.0004183400000000, -0.0008518300000000 ] - [ -0.0007520700000000, -0.0001036000000000, -0.0024205300000000 ] - [ -0.0007627200000000, -0.0000847500000000, -0.0024076700000000 ] - [ -0.0025995600000000, 0.0007316000000000, -0.0008252800000000 ] - [ -0.0026127200000000, 0.0007490600000000, -0.0008378900000000 ] - [ 0.0017453700000000, 0.0006572700000000, 0.0007923500000000 ] - [ 0.0014926700000000, 0.0007088900000000, 0.0005713600000000 ] - [ 0.0013901900000000, -0.0000001800000000, -0.0000480000000000 ] - [ 0.0013747800000000, 0.0000229700000000, 0.0003210000000000 ] - [ 0.0010600700000000, -0.0004455500000000, -0.0001059200000000 ] - [ -0.0016650300000000, -0.0036821500000000, -0.0023344200000000 ] - [ 0.0031205200000000, -0.0013307200000000, 0.0030518800000000 ] - [ 0.0004863400000000, -0.0039543600000000, 0.0046997500000000 ] - [ 0.0016657600000000, -0.0007372700000000, 0.0008559200000000 ] - [ 0.0016617400000000, -0.0007426400000000, 0.0008444200000000 ] - [ 0.0013985100000000, -0.0000130500000000, -0.0000594300000000 ] - [ 0.0014090600000000, -0.0000229000000000, -0.0000305400000000 ] - [ 0.0013520200000000, 0.0004678200000000, -0.0001033700000000 ] - [ 0.0013479000000000, 0.0004611500000000, -0.0000957600000000 ] - [ 0.0031398600000000, 0.0012334200000000, 0.0029727700000000 ] - [ 0.0031373200000000, 0.0012295300000000, 0.0029662900000000 ] - [ -0.0013791900000000, -0.0013150500000000, -0.0011800600000000 ] - [ -0.0013493600000000, -0.0012983800000000, -0.0011582600000000 ] - [ -0.0013907600000000, 0.0012756700000000, -0.0011699800000000 ] - [ -0.0013365800000000, 0.0012724500000000, -0.0011609500000000 ] - [ -0.0009520100000000, 0.0004587600000000, -0.0009893100000000 ] - [ -0.0009029800000000, 0.0004929300000000, -0.0010681100000000 ] - [ -0.0164547400000000, 0.0023591700000000, -0.0005042100000000 ] - [ -0.0013613500000000, -0.0003583300000000, -0.0002325900000000 ] - [ -0.0009468100000000, -0.0005360500000000, -0.0010477600000000 ] - [ -0.0008864500000000, -0.0004618700000000, -0.0010076200000000 ] - [ -0.0013920300000000, 0.0002891000000000, -0.0002952400000000 ] - [ -0.0013919400000000, 0.0002998300000000, -0.0002945200000000 ] - [ -0.0018462500000000, -0.0014344600000000, -0.0004097900000000 ] - [ -0.0021198900000000, -0.0016013200000000, -0.0006694900000000 ] - [ -0.0016413500000000, -0.0008452200000000, 0.0009843500000000 ] - [ -0.0017601500000000, -0.0012887800000000, 0.0012027400000000 ] - [ -0.0022962500000000, 0.0011851900000000, -0.0005266800000000 ] - [ -0.0022919200000000, 0.0011935500000000, -0.0005191500000000 ] - [ -0.0019863600000000, 0.0007576900000000, 0.0010678700000000 ] - [ -0.0019751900000000, 0.0007664500000000, 0.0010621600000000 ] - [ -0.0005851100000000, 0.0009256500000000, 0.0001599200000000 ] - [ -0.0003908200000000, 0.0008703000000000, 0.0007195900000000 ] - [ -0.0004924800000000, -0.0009959800000000, 0.0001984500000000 ] - [ -0.0004922600000000, -0.0010064000000000, 0.0001740700000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006552300000000, 0.0000475700000000, 0.0007865000000000 ] - [ 0.0006615500000000, -0.0012763600000000, 0.0007843000000000 ] - [ -0.0022920100000000, -0.0384209700000000, -0.0012156400000000 ] - [ 0.0003881200000000, 0.0018166600000000, 0.0000567400000000 ] - [ 0.0005623900000000, -0.0001657600000000, 0.0008529400000000 ] - [ 0.0007409100000000, 0.0009331000000000, 0.0008440900000000 ] - [ 0.0003576900000000, 0.0005363100000000, -0.0000427300000000 ] - [ 0.0003352300000000, 0.0004312900000000, -0.0000399300000000 ] - [ -0.0005552700000000, 0.0003732400000000, -0.0000941100000000 ] - [ -0.0012876200000000, -0.0041470100000000, -0.0006589500000000 ] - [ -0.0000143000000000, 0.0005898900000000, 0.0008251900000000 ] - [ -0.0009165000000000, -0.0036414400000000, 0.0016133000000000 ] - [ -0.0006228400000000, 0.0007807300000000, -0.0002058300000000 ] - [ -0.0006685000000000, 0.0010187400000000, -0.0002328800000000 ] - [ -0.0002050100000000, 0.0006757700000000, 0.0009676000000000 ] - [ -0.0002574100000000, 0.0008492600000000, 0.0010093700000000 ] - [ 0.0047357100000000, 0.0035133900000000, -0.0002268500000000 ] - [ 0.0042943200000000, 0.0032507300000000, -0.0006905400000000 ] - [ 0.0024520700000000, 0.0001572300000000, 0.0001916000000000 ] - [ 0.0023444700000000, 0.0002418800000000, 0.0011205800000000 ] - [ 0.0035515500000000, -0.0022051900000000, -0.0007829000000000 ] - [ 0.0035396200000000, -0.0021957800000000, -0.0007813300000000 ] - [ 0.0024500200000000, -0.0000361600000000, 0.0010094000000000 ] - [ 0.0022471100000000, -0.0000207200000000, 0.0003548500000000 ] - [ -0.0013042100000000, 0.0014754200000000, -0.0028652100000000 ] - [ -0.0021656600000000, 0.0010983300000000, 0.0025808200000000 ] - [ 0.0010342400000000, -0.0006091800000000, 0.0001933400000000 ] - [ -0.0004621800000000, -0.0009948800000000, -0.0036233800000000 ] - [ -0.0013323000000000, 0.0001643300000000, 0.0004506400000000 ] - [ -0.0012993300000000, 0.0002089200000000, 0.0002473400000000 ] - [ 0.0003916100000000, 0.0023721900000000, -0.0015536400000000 ] - [ 0.0004481100000000, 0.0024409600000000, -0.0013265600000000 ] - [ -0.0054007000000000, 0.0011119300000000, -0.0035327500000000 ] - [ -0.0051993400000000, 0.0016035400000000, -0.0043890100000000 ] - [ -0.0011099100000000, -0.0001277400000000, -0.0003686900000000 ] - [ -0.0045773600000000, 0.0028337100000000, 0.0030831200000000 ] - [ 0.0008603500000000, 0.0007562400000000, 0.0021475900000000 ] - [ -0.0015615000000000, 0.0031611100000000, -0.0001612000000000 ] - [ -0.0052536700000000, -0.0013690000000000, -0.0039004100000000 ] - [ -0.0052800800000000, -0.0014523200000000, -0.0037943800000000 ] - [ -0.0009299000000000, -0.0006100200000000, -0.0004702900000000 ] - [ -0.0009172200000000, -0.0006439700000000, -0.0004295800000000 ] - [ -0.0006071600000000, 0.0015101800000000, -0.0019858900000000 ] - [ -0.0006766000000000, 0.0014984000000000, -0.0021950700000000 ] - [ 0.0010003200000000, -0.0012946500000000, 0.0024026300000000 ] - [ 0.0010174600000000, -0.0013359000000000, 0.0023572200000000 ] - [ 0.0035542700000000, 0.0005434100000000, 0.0037542000000000 ] - [ 0.0036882000000000, -0.0000240000000000, 0.0026189400000000 ] - [ -0.0007971000000000, -0.0013556000000000, -0.0027856200000000 ] - [ -0.0006481200000000, -0.0018709400000000, -0.0016026100000000 ] - [ 0.0074577900000000, 0.0153575500000000, -0.0000196500000000 ] - [ 0.0012503600000000, -0.0015273300000000, 0.0012847300000000 ] - [ 0.0037570000000000, -0.0003364300000000, 0.0029993700000000 ] - [ 0.0036848600000000, -0.0003180400000000, 0.0032037500000000 ] - [ 0.0012726300000000, 0.0004771300000000, 0.0015868000000000 ] - [ 0.0012649500000000, 0.0004915000000000, 0.0016030900000000 ] - [ -0.0002960800000000, 0.0016491500000000, -0.0033100600000000 ] - [ -0.0011963000000000, -0.0008703400000000, -0.0024863200000000 ] - [ -0.0027109400000000, 0.0016793700000000, 0.0028211500000000 ] - [ -0.0029308100000000, -0.0016898300000000, -0.0009644300000000 ] - [ -0.0007365400000000, -0.0001239100000000, -0.0024233900000000 ] - [ -0.0007783500000000, -0.0000559700000000, -0.0023751000000000 ] - [ -0.0025821900000000, 0.0006950700000000, -0.0007747900000000 ] - [ -0.0026212600000000, 0.0007616000000000, -0.0008413200000000 ] - [ 0.0018743200000000, 0.0003836700000000, 0.0005087400000000 ] - [ 0.0015579900000000, 0.0013033500000000, 0.0017250300000000 ] - [ 0.0016142300000000, -0.0002736600000000, 0.0003216600000000 ] - [ 0.0012741500000000, 0.0003044600000000, -0.0009019800000000 ] - [ 0.0016538400000000, -0.0012903900000000, 0.0000482300000000 ] - [ 0.0050812200000000, 0.0058827900000000, 0.0043133000000000 ] - [ 0.0031157700000000, -0.0019010400000000, 0.0027219900000000 ] - [ 0.0061984000000000, 0.0043893800000000, -0.0005075300000000 ] - [ 0.0016812100000000, -0.0006887600000000, 0.0008768000000000 ] - [ 0.0016432800000000, -0.0008001500000000, 0.0008701500000000 ] - [ 0.0013637800000000, 0.0000390800000000, -0.0000454100000000 ] - [ 0.0014266000000000, -0.0000549400000000, 0.0000054100000000 ] - [ 0.0013535800000000, 0.0004810000000000, -0.0000923900000000 ] - [ 0.0013339600000000, 0.0004448200000000, -0.0000646200000000 ] - [ 0.0031607100000000, 0.0012506200000000, 0.0030065500000000 ] - [ 0.0031355800000000, 0.0012186900000000, 0.0029813400000000 ] - [ -0.0014031300000000, -0.0014252700000000, -0.0010551900000000 ] - [ -0.0013492400000000, -0.0011551400000000, -0.0012913300000000 ] - [ -0.0013084400000000, 0.0015955700000000, -0.0012720300000000 ] - [ -0.0013154500000000, 0.0010826100000000, -0.0011571400000000 ] - [ -0.0008729800000000, 0.0008518000000000, -0.0009823200000000 ] - [ -0.0009030500000000, 0.0001899900000000, -0.0009869600000000 ] - [ -0.0043586100000000, 0.0022125000000000, -0.0003516000000000 ] - [ -0.0013109500000000, -0.0013511900000000, -0.0003638400000000 ] - [ -0.0009933000000000, -0.0006387500000000, -0.0010830300000000 ] - [ -0.0008893800000000, -0.0003410800000000, -0.0009142700000000 ] - [ -0.0013912900000000, 0.0002701100000000, -0.0002688200000000 ] - [ -0.0013916900000000, 0.0003180800000000, -0.0002692200000000 ] - [ -0.0028723600000000, -0.0008999100000000, 0.0001998400000000 ] - [ -0.0022485100000000, -0.0016948700000000, -0.0008469700000000 ] - [ -0.0021905800000000, -0.0005104500000000, 0.0006192800000000 ] - [ -0.0019619800000000, -0.0013238600000000, 0.0013837800000000 ] - [ -0.0023038300000000, 0.0011822300000000, -0.0005250200000000 ] - [ -0.0022754600000000, 0.0011918900000000, -0.0004771200000000 ] - [ -0.0020082000000000, 0.0007538100000000, 0.0011106900000000 ] - [ -0.0019781600000000, 0.0007687700000000, 0.0010639400000000 ] - [ -0.0006870400000000, 0.0007948200000000, -0.0000574100000000 ] - [ -0.0002823600000000, 0.0010552000000000, 0.0007137300000000 ] - [ -0.0004926700000000, -0.0009529900000000, 0.0003101900000000 ] - [ -0.0004838600000000, -0.0010492000000000, 0.0001333700000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006616100000000, -0.0010293400000000, 0.0009668800000000 ] - [ 0.0006549000000000, 0.0002943900000000, 0.0009680000000000 ] - [ 0.0031580600000000, 0.0377709000000000, 0.0011108900000000 ] - [ 0.0003058600000000, -0.0027854400000000, -0.0000843500000000 ] - [ 0.0007542200000000, 0.0011467300000000, 0.0009000200000000 ] - [ 0.0005758700000000, 0.0000485100000000, 0.0009085600000000 ] - [ 0.0003348100000000, 0.0004346500000000, 0.0000177200000000 ] - [ 0.0003572300000000, 0.0005394800000000, 0.0000150100000000 ] - [ -0.0007393200000000, -0.0021858900000000, -0.0002959300000000 ] - [ -0.0000077200000000, 0.0023352600000000, 0.0002772800000000 ] - [ -0.0004514000000000, -0.0021238300000000, 0.0012091600000000 ] - [ 0.0004483700000000, 0.0021088300000000, 0.0004123800000000 ] - [ -0.0006723900000000, 0.0010301800000000, -0.0001820100000000 ] - [ -0.0006267800000000, 0.0007922500000000, -0.0001548100000000 ] - [ -0.0002629300000000, 0.0008561200000000, 0.0010658400000000 ] - [ -0.0002105700000000, 0.0006827400000000, 0.0010239000000000 ] - [ 0.0023578500000000, 0.0008891600000000, -0.0012790300000000 ] - [ 0.0027969400000000, 0.0011478500000000, -0.0008160900000000 ] - [ 0.0022264400000000, 0.0000692200000000, 0.0012193100000000 ] - [ 0.0023341800000000, -0.0000167600000000, 0.0002894500000000 ] - [ 0.0035413000000000, -0.0021983000000000, -0.0007223400000000 ] - [ 0.0035532700000000, -0.0022077600000000, -0.0007238600000000 ] - [ 0.0022281200000000, -0.0001887500000000, 0.0004007700000000 ] - [ 0.0024312200000000, -0.0002054500000000, 0.0010552600000000 ] - [ -0.0013280300000000, -0.0018263300000000, 0.0036636800000000 ] - [ -0.0004739400000000, -0.0014570400000000, -0.0017940400000000 ] - [ -0.0001819200000000, -0.0041742200000000, -0.0029914500000000 ] - [ 0.0013054600000000, -0.0038010500000000, 0.0008320500000000 ] - [ -0.0013042800000000, 0.0001890100000000, 0.0003308300000000 ] - [ -0.0013373400000000, 0.0001441000000000, 0.0005341300000000 ] - [ 0.0004561100000000, 0.0024203400000000, -0.0012384900000000 ] - [ 0.0003995900000000, 0.0023510700000000, -0.0014656500000000 ] - [ -0.0051374800000000, 0.0017152800000000, -0.0041753800000000 ] - [ -0.0053384700000000, 0.0012231800000000, -0.0033172600000000 ] - [ -0.0007377100000000, 0.0013684600000000, -0.0005469600000000 ] - [ 0.0026796000000000, -0.0015877200000000, -0.0039596100000000 ] - [ 0.0011578200000000, 0.0018812200000000, 0.0025846500000000 ] - [ 0.0035383800000000, -0.0005211300000000, 0.0048520800000000 ] - [ -0.0052849400000000, -0.0014575100000000, -0.0038067900000000 ] - [ -0.0052585300000000, -0.0013741900000000, -0.0039126900000000 ] - [ -0.0009144000000000, -0.0006396900000000, -0.0004497300000000 ] - [ -0.0009270800000000, -0.0006057700000000, -0.0004903100000000 ] - [ -0.0006794200000000, 0.0015019700000000, -0.0022244100000000 ] - [ -0.0006100400000000, 0.0015141000000000, -0.0020149900000000 ] - [ 0.0010173600000000, -0.0013425400000000, 0.0023266800000000 ] - [ 0.0010002400000000, -0.0013012700000000, 0.0023720200000000 ] - [ 0.0038746800000000, 0.0000672600000000, 0.0023944400000000 ] - [ 0.0037427300000000, 0.0006362900000000, 0.0035288600000000 ] - [ -0.0004904000000000, -0.0016566800000000, -0.0014254900000000 ] - [ -0.0006383700000000, -0.0011411600000000, -0.0026071800000000 ] - [ -0.0052071900000000, -0.0168809400000000, 0.0032982400000000 ] - [ 0.0012900900000000, 0.0005529100000000, 0.0018703600000000 ] - [ 0.0036739700000000, -0.0002756600000000, 0.0031488300000000 ] - [ 0.0037459900000000, -0.0002938200000000, 0.0029444100000000 ] - [ 0.0012619000000000, 0.0004840000000000, 0.0015744700000000 ] - [ 0.0012695800000000, 0.0004696600000000, 0.0015582600000000 ] - [ -0.0012193400000000, -0.0014841400000000, -0.0014811500000000 ] - [ -0.0003199200000000, 0.0010578200000000, -0.0023325700000000 ] - [ -0.0024875200000000, -0.0031870500000000, -0.0045492800000000 ] - [ -0.0022758500000000, 0.0002252600000000, -0.0006733000000000 ] - [ -0.0007787200000000, -0.0000620800000000, -0.0023944900000000 ] - [ -0.0007369800000000, -0.0001299500000000, -0.0024428600000000 ] - [ -0.0026236400000000, 0.0007729500000000, -0.0008651900000000 ] - [ -0.0025846400000000, 0.0007064700000000, -0.0007986600000000 ] - [ 0.0014536500000000, 0.0010992600000000, 0.0012084500000000 ] - [ 0.0017698100000000, 0.0001799400000000, -0.0000058700000000 ] - [ 0.0011853600000000, 0.0002999000000000, -0.0003882700000000 ] - [ 0.0015251300000000, -0.0002785400000000, 0.0008336700000000 ] - [ 0.0010393200000000, 0.0003650800000000, -0.0002310100000000 ] - [ -0.0022701900000000, -0.0066476700000000, -0.0043334400000000 ] - [ 0.0031714700000000, -0.0005649100000000, 0.0032407200000000 ] - [ 0.0001895900000000, -0.0067083100000000, 0.0063205800000000 ] - [ 0.0016464300000000, -0.0007947600000000, 0.0008395700000000 ] - [ 0.0016843700000000, -0.0006832200000000, 0.0008461400000000 ] - [ 0.0014357900000000, -0.0000658400000000, -0.0000206600000000 ] - [ 0.0013732600000000, 0.0000283000000000, -0.0000711100000000 ] - [ 0.0013415100000000, 0.0004464400000000, -0.0000884600000000 ] - [ 0.0013613600000000, 0.0004823800000000, -0.0001159400000000 ] - [ 0.0031257800000000, 0.0012154400000000, 0.0029526700000000 ] - [ 0.0031509400000000, 0.0012473800000000, 0.0029778000000000 ] - [ -0.0013335400000000, -0.0011721500000000, -0.0012918500000000 ] - [ -0.0013873300000000, -0.0014421300000000, -0.0010557900000000 ] - [ -0.0014276200000000, 0.0010019000000000, -0.0010751800000000 ] - [ -0.0014208900000000, 0.0015152200000000, -0.0011894700000000 ] - [ -0.0009980800000000, 0.0001494700000000, -0.0010621200000000 ] - [ -0.0009685400000000, 0.0008119300000000, -0.0010583600000000 ] - [ 0.0015564600000000, -0.0027872900000000, -0.0002155900000000 ] - [ -0.0014725800000000, 0.0007637100000000, -0.0002035900000000 ] - [ -0.0008781100000000, -0.0003630800000000, -0.0009617100000000 ] - [ -0.0009819700000000, -0.0006605000000000, -0.0011305200000000 ] - [ -0.0013919700000000, 0.0003177700000000, -0.0002993200000000 ] - [ -0.0013915500000000, 0.0002698200000000, -0.0002989100000000 ] - [ -0.0017071600000000, -0.0014782400000000, -0.0012321800000000 ] - [ -0.0023350500000000, -0.0006778800000000, -0.0001807000000000 ] - [ -0.0017822500000000, -0.0010138000000000, 0.0015332600000000 ] - [ -0.0020126400000000, -0.0001957800000000, 0.0007677500000000 ] - [ -0.0022811200000000, 0.0011943500000000, -0.0005027000000000 ] - [ -0.0023093600000000, 0.0011847500000000, -0.0005506200000000 ] - [ -0.0019659600000000, 0.0007689300000000, 0.0010398700000000 ] - [ -0.0019959600000000, 0.0007540600000000, 0.0010865900000000 ] - [ -0.0002959900000000, 0.0012028100000000, 0.0004526400000000 ] - [ -0.0007000300000000, 0.0009435700000000, -0.0003201900000000 ] - [ -0.0004899400000000, -0.0010454000000000, 0.0000845300000000 ] - [ -0.0004989000000000, -0.0009490800000000, 0.0002612700000000 ]- atom: 3 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0006613100000000, -0.0005156600000000, 0.0014057900000000 ] - [ 0.0006275100000000, -0.0003116800000000, 0.0019674300000000 ] - [ 0.0048208100000000, -0.0016341800000000, -0.0354373500000000 ] - [ 0.0005572500000000, -0.0004158100000000, -0.0019121000000000 ] - [ 0.0007041500000000, 0.0003852800000000, 0.0018382500000000 ] - [ 0.0006521900000000, 0.0005160500000000, 0.0014235200000000 ] - [ 0.0003249600000000, 0.0005158900000000, 0.0006405600000000 ] - [ 0.0003257500000000, 0.0005123300000000, 0.0006619800000000 ] - [ -0.0007671600000000, -0.0009174200000000, -0.0007592200000000 ] - [ -0.0021508300000000, -0.0007680600000000, 0.0008816600000000 ] - [ -0.0002258300000000, -0.0007260700000000, 0.0004877000000000 ] - [ 0.0011047300000000, -0.0008355600000000, 0.0017285000000000 ] - [ -0.0006386700000000, 0.0008877300000000, 0.0004647300000000 ] - [ -0.0006350500000000, 0.0008674300000000, 0.0003924900000000 ] - [ -0.0002356300000000, 0.0007666300000000, 0.0016760800000000 ] - [ -0.0002402300000000, 0.0007885800000000, 0.0015981600000000 ] - [ 0.0029004900000000, 0.0022065500000000, -0.0029740300000000 ] - [ 0.0032840900000000, 0.0021800600000000, -0.0052453800000000 ] - [ 0.0022953200000000, -0.0002448000000000, 0.0013189100000000 ] - [ 0.0023788500000000, 0.0003525800000000, 0.0013411300000000 ] - [ 0.0035723600000000, -0.0022021400000000, -0.0000685200000000 ] - [ 0.0035709200000000, -0.0022025800000000, -0.0000833500000000 ] - [ 0.0023166700000000, 0.0002117400000000, 0.0014789300000000 ] - [ 0.0023677500000000, -0.0002879400000000, 0.0013484600000000 ] - [ -0.0029245000000000, -0.0035232100000000, -0.0002722500000000 ] - [ -0.0015731700000000, 0.0018774500000000, 0.0009327600000000 ] - [ 0.0021956300000000, 0.0011886700000000, -0.0009481700000000 ] - [ 0.0008593000000000, -0.0044046300000000, -0.0002977100000000 ] - [ -0.0013095400000000, 0.0002359900000000, 0.0013048300000000 ] - [ -0.0013409300000000, 0.0001271800000000, 0.0012712400000000 ] - [ 0.0004255500000000, 0.0023114200000000, -0.0004326200000000 ] - [ 0.0004408000000000, 0.0024565500000000, -0.0004798100000000 ] - [ -0.0051682800000000, 0.0015934100000000, -0.0039672800000000 ] - [ -0.0052835900000000, 0.0012039400000000, -0.0041572300000000 ] - [ -0.0008900300000000, 0.0008558900000000, 0.0001435300000000 ] - [ -0.0069303000000000, 0.0040148100000000, 0.0052174300000000 ] - [ 0.0009744100000000, 0.0010971600000000, 0.0032793900000000 ] - [ 0.0047635100000000, -0.0010065900000000, 0.0068539000000000 ] - [ -0.0052941200000000, -0.0014676100000000, -0.0042258700000000 ] - [ -0.0052794300000000, -0.0014306200000000, -0.0041464600000000 ] - [ -0.0008957400000000, -0.0005804100000000, -0.0007574200000000 ] - [ -0.0009004200000000, -0.0005769700000000, -0.0007307400000000 ] - [ -0.0006940600000000, 0.0014004900000000, -0.0024987100000000 ] - [ -0.0006671100000000, 0.0012701300000000, -0.0025734600000000 ] - [ 0.0010123400000000, -0.0013869700000000, 0.0020246600000000 ] - [ 0.0010175800000000, -0.0013891200000000, 0.0020481700000000 ] - [ 0.0041345100000000, 0.0005031100000000, 0.0025357600000000 ] - [ 0.0037266500000000, 0.0000629700000000, 0.0027944800000000 ] - [ -0.0008877100000000, -0.0015675200000000, -0.0026680700000000 ] - [ -0.0006751700000000, -0.0011791400000000, -0.0024192900000000 ] - [ 0.0007694300000000, -0.0031459500000000, 0.0033302000000000 ] - [ 0.0014291100000000, -0.0009904700000000, 0.0026931900000000 ] - [ 0.0038033200000000, -0.0002394200000000, 0.0027182900000000 ] - [ 0.0037414400000000, -0.0001039000000000, 0.0026573700000000 ] - [ 0.0012351300000000, 0.0004026900000000, 0.0012586500000000 ] - [ 0.0012335300000000, 0.0004081900000000, 0.0012608100000000 ] - [ 0.0004150600000000, 0.0003552000000000, 0.0023248600000000 ] - [ -0.0007797100000000, -0.0003631400000000, -0.0020832000000000 ] - [ -0.0046472600000000, 0.0016856600000000, 0.0069886000000000 ] - [ -0.0025431100000000, 0.0000939300000000, -0.0003322700000000 ] - [ -0.0007497100000000, -0.0001607500000000, -0.0026213200000000 ] - [ -0.0007696700000000, -0.0001294800000000, -0.0026227800000000 ] - [ -0.0026253600000000, 0.0008751800000000, -0.0011078000000000 ] - [ -0.0026086000000000, 0.0008511000000000, -0.0011115300000000 ] - [ 0.0018593000000000, 0.0004372400000000, 0.0007193500000000 ] - [ 0.0016259500000000, 0.0008767600000000, 0.0004747400000000 ] - [ 0.0012931100000000, 0.0003256500000000, -0.0001737000000000 ] - [ 0.0012980500000000, -0.0001898900000000, -0.0003002000000000 ] - [ 0.0010197800000000, -0.0000743400000000, 0.0005379400000000 ] - [ 0.0036127500000000, 0.0037755100000000, 0.0045276300000000 ] - [ 0.0035877600000000, -0.0018458700000000, 0.0039154000000000 ] - [ 0.0009647200000000, -0.0055014900000000, 0.0077601600000000 ] - [ 0.0017269800000000, -0.0005901000000000, 0.0004661200000000 ] - [ 0.0017011700000000, -0.0006462500000000, 0.0005504500000000 ] - [ 0.0012901400000000, -0.0000783600000000, -0.0004064400000000 ] - [ 0.0013229000000000, -0.0000399900000000, -0.0003191400000000 ] - [ 0.0014346600000000, 0.0004882700000000, -0.0003877700000000 ] - [ 0.0014330400000000, 0.0004895600000000, -0.0003602500000000 ] - [ 0.0030360700000000, 0.0012111700000000, 0.0026396200000000 ] - [ 0.0030387200000000, 0.0012071800000000, 0.0026663900000000 ] - [ -0.0013638600000000, -0.0011588700000000, -0.0015384100000000 ] - [ -0.0014209700000000, -0.0012364100000000, -0.0015944300000000 ] - [ -0.0012678800000000, 0.0010499700000000, -0.0018896300000000 ] - [ -0.0013873600000000, 0.0013422300000000, -0.0012601800000000 ] - [ -0.0010451700000000, 0.0006773000000000, -0.0015944400000000 ] - [ -0.0008997400000000, 0.0004934800000000, -0.0011191900000000 ] - [ -0.0013551000000000, -0.0003007300000000, 0.0021741400000000 ] - [ -0.0013402800000000, -0.0003057300000000, 0.0006007800000000 ] - [ -0.0009157700000000, -0.0006450600000000, -0.0013194900000000 ] - [ -0.0008434600000000, -0.0005330500000000, -0.0013854800000000 ] - [ -0.0013994400000000, 0.0003027000000000, -0.0006150300000000 ] - [ -0.0013998700000000, 0.0003048200000000, -0.0006255100000000 ] - [ -0.0022207900000000, -0.0008210400000000, -0.0000942800000000 ] - [ -0.0022323300000000, -0.0017883500000000, -0.0002928500000000 ] - [ -0.0024154400000000, -0.0013073500000000, 0.0018061900000000 ] - [ -0.0023424300000000, -0.0001184800000000, 0.0015053400000000 ] - [ -0.0023304800000000, 0.0011918000000000, -0.0007664600000000 ] - [ -0.0023202700000000, 0.0012233900000000, -0.0007714500000000 ] - [ -0.0018640800000000, 0.0007518400000000, 0.0007856500000000 ] - [ -0.0018835100000000, 0.0007221700000000, 0.0007851300000000 ] - [ -0.0007901600000000, 0.0007403300000000, 0.0000411100000000 ] - [ -0.0004368200000000, 0.0012677600000000, -0.0001630700000000 ] - [ -0.0005535800000000, -0.0009981400000000, -0.0002025200000000 ] - [ -0.0005278300000000, -0.0010538600000000, -0.0001347400000000 ]- atom: 3 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0006554300000000, -0.0004665000000000, 0.0003456500000000 ] - [ 0.0006894900000000, -0.0006692900000000, -0.0002151700000000 ] - [ -0.0040685800000000, 0.0005049000000000, 0.0355236400000000 ] - [ 0.0001331300000000, -0.0005541400000000, 0.0018903000000000 ] - [ 0.0006125200000000, 0.0005971900000000, -0.0000877800000000 ] - [ 0.0006645800000000, 0.0004650500000000, 0.0003287100000000 ] - [ 0.0003676000000000, 0.0004547700000000, -0.0006669100000000 ] - [ 0.0003667900000000, 0.0004582700000000, -0.0006882200000000 ] - [ -0.0005273200000000, -0.0008953300000000, 0.0003727900000000 ] - [ 0.0008756200000000, -0.0010344900000000, -0.0012775600000000 ] - [ -0.0002409500000000, -0.0008069200000000, 0.0015436300000000 ] - [ -0.0015593000000000, -0.0006898700000000, 0.0003082500000000 ] - [ -0.0006566000000000, 0.0009233600000000, -0.0008534100000000 ] - [ -0.0006602800000000, 0.0009435700000000, -0.0007811800000000 ] - [ -0.0002325400000000, 0.0007656800000000, 0.0003558000000000 ] - [ -0.0002278800000000, 0.0007434900000000, 0.0004338000000000 ] - [ 0.0041978400000000, 0.0022065100000000, 0.0014758300000000 ] - [ 0.0038080000000000, 0.0022204900000000, 0.0037437100000000 ] - [ 0.0023826300000000, 0.0004699000000000, 0.0000897500000000 ] - [ 0.0022989800000000, -0.0001266600000000, 0.0000673400000000 ] - [ 0.0035202800000000, -0.0022012700000000, -0.0014380100000000 ] - [ 0.0035217300000000, -0.0022007700000000, -0.0014230400000000 ] - [ 0.0023611300000000, -0.0004377000000000, -0.0000707200000000 ] - [ 0.0023103800000000, 0.0000628400000000, 0.0000610900000000 ] - [ 0.0002803000000000, 0.0031601300000000, 0.0010446900000000 ] - [ -0.0010614800000000, -0.0022275900000000, -0.0001536600000000 ] - [ -0.0013531300000000, -0.0059947700000000, -0.0018526400000000 ] - [ -0.0000150800000000, -0.0003844900000000, -0.0024909800000000 ] - [ -0.0013269800000000, 0.0001167100000000, -0.0005254200000000 ] - [ -0.0012955600000000, 0.0002256700000000, -0.0004914800000000 ] - [ 0.0004221500000000, 0.0024805100000000, -0.0023612100000000 ] - [ 0.0004069800000000, 0.0023354700000000, -0.0023142000000000 ] - [ -0.0053692900000000, 0.0012343300000000, -0.0037406600000000 ] - [ -0.0052536800000000, 0.0016209600000000, -0.0035506200000000 ] - [ -0.0009559600000000, 0.0003893200000000, -0.0010606100000000 ] - [ 0.0049306000000000, -0.0026678600000000, -0.0060499000000000 ] - [ 0.0010440400000000, 0.0015410400000000, 0.0014472400000000 ] - [ -0.0028555800000000, 0.0037161500000000, -0.0021998400000000 ] - [ -0.0052440900000000, -0.0013591500000000, -0.0034811000000000 ] - [ -0.0052588500000000, -0.0013961700000000, -0.0035609100000000 ] - [ -0.0009482800000000, -0.0006698000000000, -0.0001619500000000 ] - [ -0.0009436000000000, -0.0006732600000000, -0.0001886800000000 ] - [ -0.0005922200000000, 0.0016125300000000, -0.0017105900000000 ] - [ -0.0006192100000000, 0.0017426400000000, -0.0016359400000000 ] - [ 0.0010055200000000, -0.0012503600000000, 0.0027046300000000 ] - [ 0.0010003200000000, -0.0012482300000000, 0.0026810800000000 ] - [ 0.0032953300000000, 0.0001090700000000, 0.0036129800000000 ] - [ 0.0037042600000000, 0.0005490800000000, 0.0033541400000000 ] - [ -0.0003988100000000, -0.0014444100000000, -0.0015408500000000 ] - [ -0.0006110400000000, -0.0018338000000000, -0.0017906600000000 ] - [ 0.0017733400000000, 0.0022023300000000, -0.0001794800000000 ] - [ 0.0011050900000000, 0.0000276800000000, 0.0004678700000000 ] - [ 0.0036276100000000, -0.0003723100000000, 0.0034300200000000 ] - [ 0.0036897600000000, -0.0005082600000000, 0.0034909200000000 ] - [ 0.0012995400000000, 0.0005588100000000, 0.0019032400000000 ] - [ 0.0013011700000000, 0.0005532800000000, 0.0019010900000000 ] - [ -0.0018925200000000, -0.0002651300000000, -0.0069011700000000 ] - [ -0.0007357100000000, 0.0005494900000000, -0.0027344300000000 ] - [ -0.0005103300000000, -0.0033534200000000, -0.0089394700000000 ] - [ -0.0026632800000000, -0.0015616600000000, -0.0013083000000000 ] - [ -0.0007659700000000, -0.0000245200000000, -0.0021959900000000 ] - [ -0.0007459400000000, -0.0000559500000000, -0.0021946800000000 ] - [ -0.0025806500000000, 0.0005932000000000, -0.0005324800000000 ] - [ -0.0025974100000000, 0.0006172400000000, -0.0005287700000000 ] - [ 0.0014675700000000, 0.0010477300000000, 0.0009972200000000 ] - [ 0.0017023100000000, 0.0006046000000000, 0.0012418500000000 ] - [ 0.0015064400000000, -0.0002975400000000, 0.0001077600000000 ] - [ 0.0015008400000000, 0.0002142400000000, 0.0002356100000000 ] - [ 0.0016758000000000, -0.0008516500000000, -0.0007169600000000 ] - [ -0.0008546100000000, -0.0045813600000000, -0.0046355500000000 ] - [ 0.0026953200000000, -0.0006131800000000, 0.0020393200000000 ] - [ 0.0053872400000000, 0.0031609600000000, -0.0018785600000000 ] - [ 0.0016007400000000, -0.0008939700000000, 0.0012502700000000 ] - [ 0.0016264500000000, -0.0008378400000000, 0.0011662000000000 ] - [ 0.0015094300000000, 0.0000512700000000, 0.0003407600000000 ] - [ 0.0014767200000000, 0.0000129500000000, 0.0002533800000000 ] - [ 0.0012598200000000, 0.0004385800000000, 0.0002075600000000 ] - [ 0.0012617000000000, 0.0004370900000000, 0.0001801800000000 ] - [ 0.0032503700000000, 0.0012545000000000, 0.0033194500000000 ] - [ 0.0032477700000000, 0.0012585100000000, 0.0032926800000000 ] - [ -0.0013725000000000, -0.0014388300000000, -0.0008082900000000 ] - [ -0.0013154000000000, -0.0013615400000000, -0.0007522800000000 ] - [ -0.0014687300000000, 0.0015483600000000, -0.0004559800000000 ] - [ -0.0013488800000000, 0.0012554600000000, -0.0010876100000000 ] - [ -0.0008265700000000, 0.0003243300000000, -0.0004503200000000 ] - [ -0.0009721900000000, 0.0005080400000000, -0.0009248000000000 ] - [ -0.0014583700000000, -0.0002779900000000, -0.0027448200000000 ] - [ -0.0014433900000000, -0.0002825400000000, -0.0011701900000000 ] - [ -0.0009556500000000, -0.0003562300000000, -0.0007247900000000 ] - [ -0.0010283500000000, -0.0004688700000000, -0.0006588200000000 ] - [ -0.0013837700000000, 0.0002853700000000, 0.0000471900000000 ] - [ -0.0013833500000000, 0.0002831800000000, 0.0000576800000000 ] - [ -0.0023647500000000, -0.0015545900000000, -0.0009304400000000 ] - [ -0.0023517400000000, -0.0005851500000000, -0.0007341700000000 ] - [ -0.0015546600000000, -0.0002131800000000, 0.0003414600000000 ] - [ -0.0016309700000000, -0.0014026500000000, 0.0006449300000000 ] - [ -0.0022538700000000, 0.0011850300000000, -0.0002608800000000 ] - [ -0.0022640400000000, 0.0011533400000000, -0.0002559500000000 ] - [ -0.0021098200000000, 0.0007711300000000, 0.0013647700000000 ] - [ -0.0020904000000000, 0.0008007900000000, 0.0013652600000000 ] - [ -0.0001907200000000, 0.0012595300000000, 0.0003540900000000 ] - [ -0.0005462200000000, 0.0007297900000000, 0.0005560500000000 ] - [ -0.0004289200000000, -0.0010003900000000, 0.0005974000000000 ] - [ -0.0004547500000000, -0.0009448100000000, 0.0005298200000000 ]- atom: 9 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0006808100000000, -0.0004909100000000, 0.0008910400000000 ] - [ 0.0006589000000000, -0.0004807600000000, 0.0008913100000000 ] - [ 0.0005559600000000, -0.0003938000000000, -0.0001246800000000 ] - [ 0.0021134800000000, -0.0011228000000000, -0.0014571200000000 ] - [ 0.0008124300000000, 0.0006345400000000, 0.0008414100000000 ] - [ 0.0014281500000000, 0.0009442500000000, 0.0019510100000000 ] - [ 0.0003448600000000, 0.0004604900000000, -0.0000039800000000 ] - [ 0.0003502400000000, 0.0005062700000000, -0.0000000900000000 ] - [ -0.0302930000000000, -0.0010278800000000, -0.0016578300000000 ] - [ -0.0010472300000000, -0.0007659500000000, -0.0002787900000000 ] - [ -0.0003258500000000, -0.0007554000000000, 0.0010149700000000 ] - [ -0.0002234400000000, -0.0007465400000000, 0.0010282500000000 ] - [ -0.0006482900000000, 0.0009106400000000, -0.0001823700000000 ] - [ -0.0006471700000000, 0.0009001800000000, -0.0001831600000000 ] - [ -0.0002614100000000, 0.0008286000000000, 0.0010236500000000 ] - [ -0.0001976800000000, 0.0006905600000000, 0.0010358100000000 ] - [ 0.0019166700000000, 0.0026552400000000, -0.0002892900000000 ] - [ 0.0031367300000000, 0.0020428300000000, -0.0000259900000000 ] - [ 0.0023145700000000, 0.0001170400000000, 0.0007226200000000 ] - [ 0.0023375200000000, 0.0001130700000000, 0.0007091800000000 ] - [ 0.0035417900000000, -0.0022045800000000, -0.0007523400000000 ] - [ 0.0035469200000000, -0.0021998000000000, -0.0007217200000000 ] - [ 0.0017339300000000, 0.0005632700000000, -0.0002822800000000 ] - [ 0.0019622800000000, 0.0001271800000000, 0.0008349000000000 ] - [ -0.0011458600000000, -0.0001775700000000, 0.0004674400000000 ] - [ -0.0013805400000000, -0.0001417900000000, 0.0003195400000000 ] - [ 0.0057401800000000, -0.0014622000000000, -0.0021937100000000 ] - [ 0.0039960800000000, -0.0007866500000000, -0.0006946900000000 ] - [ -0.0013537500000000, 0.0001471100000000, 0.0003199200000000 ] - [ -0.0012816700000000, 0.0002216900000000, 0.0004784700000000 ] - [ 0.0004258500000000, 0.0023967000000000, -0.0013791800000000 ] - [ 0.0004244900000000, 0.0023977600000000, -0.0013751300000000 ] - [ -0.0052619400000000, 0.0014066200000000, -0.0039407500000000 ] - [ -0.0052695900000000, 0.0014056500000000, -0.0038593100000000 ] - [ -0.0009580000000000, 0.0006323300000000, -0.0006597300000000 ] - [ -0.0009579700000000, 0.0005999100000000, -0.0004718200000000 ] - [ 0.0066515600000000, 0.0033545300000000, 0.0063943500000000 ] - [ 0.0007233200000000, 0.0016788200000000, 0.0023319200000000 ] - [ -0.0053278200000000, -0.0014628800000000, -0.0037832200000000 ] - [ -0.0053037700000000, -0.0014050900000000, -0.0039302600000000 ] - [ -0.0009138500000000, -0.0006343700000000, -0.0004425400000000 ] - [ -0.0009249200000000, -0.0006154900000000, -0.0004772600000000 ] - [ -0.0006447700000000, 0.0015000500000000, -0.0021177000000000 ] - [ -0.0006426600000000, 0.0015020700000000, -0.0021132200000000 ] - [ 0.0010092900000000, -0.0013215100000000, 0.0023613300000000 ] - [ 0.0010101500000000, -0.0013183000000000, 0.0023562600000000 ] - [ 0.0037157400000000, 0.0002977500000000, 0.0030591800000000 ] - [ 0.0037165000000000, 0.0003130200000000, 0.0030686400000000 ] - [ -0.0010814200000000, -0.0018424500000000, -0.0019656600000000 ] - [ -0.0010373200000000, -0.0013267000000000, -0.0023072200000000 ] - [ 0.0011895700000000, -0.0006429800000000, 0.0013993200000000 ] - [ 0.0010920200000000, -0.0006322000000000, 0.0016992300000000 ] - [ 0.0035701400000000, -0.0002450300000000, 0.0031285400000000 ] - [ 0.0038208500000000, -0.0003713400000000, 0.0030640500000000 ] - [ 0.0012670000000000, 0.0004856500000000, 0.0015901600000000 ] - [ 0.0012700900000000, 0.0004724400000000, 0.0015637100000000 ] - [ -0.0008050000000000, 0.0000674600000000, -0.0024459700000000 ] - [ -0.0007177900000000, 0.0000842300000000, -0.0024259800000000 ] - [ -0.0028312000000000, -0.0006496400000000, -0.0009265000000000 ] - [ 0.0020565400000000, 0.0014373300000000, -0.0025371800000000 ] - [ -0.0007779200000000, -0.0000541300000000, -0.0023748300000000 ] - [ -0.0007456300000000, -0.0001242000000000, -0.0024265600000000 ] - [ -0.0026059300000000, 0.0007400900000000, -0.0008261000000000 ] - [ -0.0026009100000000, 0.0007342100000000, -0.0008255900000000 ] - [ 0.0033223800000000, -0.0012801500000000, 0.0040224500000000 ] - [ 0.0016350800000000, 0.0006677800000000, 0.0008323100000000 ] - [ 0.0013948700000000, 0.0000159600000000, 0.0000308300000000 ] - [ 0.0014029100000000, 0.0000059700000000, -0.0000264700000000 ] - [ 0.0013479100000000, -0.0004337500000000, 0.0001520100000000 ] - [ 0.0013959500000000, -0.0004591400000000, -0.0001144600000000 ] - [ 0.0070462800000000, -0.0055304300000000, -0.0001763200000000 ] - [ 0.0034923600000000, -0.0016871600000000, 0.0031064100000000 ] - [ 0.0016640000000000, -0.0007411000000000, 0.0008534000000000 ] - [ 0.0016650500000000, -0.0007388300000000, 0.0008506200000000 ] - [ 0.0014675900000000, -0.0000377900000000, 0.0000180200000000 ] - [ 0.0013692200000000, -0.0000434900000000, -0.0001327700000000 ] - [ 0.0013413000000000, 0.0004564300000000, -0.0000878100000000 ] - [ 0.0013564200000000, 0.0004752700000000, -0.0001200400000000 ] - [ 0.0031416100000000, 0.0012309000000000, 0.0029754800000000 ] - [ 0.0031389500000000, 0.0012351100000000, 0.0029694000000000 ] - [ -0.0013660600000000, -0.0012975100000000, -0.0011756700000000 ] - [ -0.0013696200000000, -0.0012993200000000, -0.0011794500000000 ] - [ -0.0012249600000000, 0.0013317700000000, -0.0011803700000000 ] - [ -0.0001453900000000, 0.0025286700000000, 0.0007328300000000 ] - [ -0.0009349300000000, 0.0004995800000000, -0.0010323200000000 ] - [ -0.0009342200000000, 0.0005054200000000, -0.0010246500000000 ] - [ -0.0013126800000000, -0.0003737400000000, -0.0002667400000000 ] - [ -0.0006629200000000, -0.0003640200000000, -0.0000686000000000 ] - [ -0.0006609900000000, -0.0002742300000000, -0.0010361700000000 ] - [ -0.0009865800000000, -0.0006134200000000, -0.0010727800000000 ] - [ -0.0013924600000000, 0.0003047900000000, -0.0002890700000000 ] - [ -0.0013918000000000, 0.0002830400000000, -0.0002920400000000 ] - [ -0.0022881800000000, -0.0012006800000000, -0.0005230700000000 ] - [ -0.0023262400000000, -0.0012226400000000, -0.0004900700000000 ] - [ -0.0018557100000000, -0.0012301800000000, 0.0010213600000000 ] - [ -0.0006965400000000, -0.0046194500000000, 0.0022700700000000 ] - [ -0.0022938500000000, 0.0012136700000000, -0.0005247900000000 ] - [ -0.0022966600000000, 0.0011717000000000, -0.0005369800000000 ] - [ -0.0019826300000000, 0.0007636200000000, 0.0010719900000000 ] - [ -0.0019845900000000, 0.0007592900000000, 0.0010669500000000 ] - [ 0.0027660300000000, 0.0030199200000000, -0.0033794800000000 ] - [ -0.0007579900000000, 0.0010119500000000, 0.0002878800000000 ] - [ -0.0004910000000000, -0.0010009100000000, 0.0001906300000000 ] - [ -0.0004922400000000, -0.0009995600000000, 0.0001910600000000 ]- atom: 9 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0006366400000000, -0.0004912700000000, 0.0008628500000000 ] - [ 0.0006583800000000, -0.0005010400000000, 0.0008625700000000 ] - [ 0.0001363700000000, -0.0005786100000000, 0.0000997300000000 ] - [ -0.0014180200000000, 0.0001556000000000, 0.0014495700000000 ] - [ 0.0005043800000000, 0.0003483000000000, 0.0009108100000000 ] - [ -0.0001017400000000, 0.0000307800000000, -0.0002028400000000 ] - [ 0.0003489300000000, 0.0005110200000000, -0.0000208300000000 ] - [ 0.0003434500000000, 0.0004656100000000, -0.0000247400000000 ] - [ 0.0289830700000000, -0.0009468300000000, 0.0011163700000000 ] - [ -0.0002473300000000, -0.0010441000000000, -0.0001100800000000 ] - [ -0.0001423400000000, -0.0007792500000000, 0.0010151100000000 ] - [ -0.0002442200000000, -0.0007860100000000, 0.0010049300000000 ] - [ -0.0006465300000000, 0.0009003500000000, -0.0002043400000000 ] - [ -0.0006477100000000, 0.0009106400000000, -0.0002034900000000 ] - [ -0.0002063400000000, 0.0007048400000000, 0.0010089500000000 ] - [ -0.0002705900000000, 0.0008417600000000, 0.0009974200000000 ] - [ 0.0051724800000000, 0.0017510100000000, -0.0012133600000000 ] - [ 0.0039583300000000, 0.0023649900000000, -0.0014796200000000 ] - [ 0.0023636300000000, 0.0001089300000000, 0.0006886200000000 ] - [ 0.0023407700000000, 0.0001128900000000, 0.0007016300000000 ] - [ 0.0035513900000000, -0.0022002200000000, -0.0007528400000000 ] - [ 0.0035461000000000, -0.0022048300000000, -0.0007831400000000 ] - [ 0.0029465300000000, -0.0007881500000000, 0.0016894300000000 ] - [ 0.0027041600000000, -0.0003483600000000, 0.0005784700000000 ] - [ -0.0014907000000000, -0.0001726200000000, 0.0003140000000000 ] - [ -0.0012568700000000, -0.0002087400000000, 0.0004626900000000 ] - [ -0.0048876600000000, -0.0033207000000000, -0.0006084700000000 ] - [ -0.0031654900000000, -0.0040185800000000, -0.0020939900000000 ] - [ -0.0012833700000000, 0.0002035400000000, 0.0004606100000000 ] - [ -0.0013536200000000, 0.0001303500000000, 0.0003031400000000 ] - [ 0.0004216500000000, 0.0023949900000000, -0.0014131600000000 ] - [ 0.0004230200000000, 0.0023939300000000, -0.0014172300000000 ] - [ -0.0052757500000000, 0.0014202000000000, -0.0037672900000000 ] - [ -0.0052681400000000, 0.0014209900000000, -0.0038480600000000 ] - [ -0.0008852500000000, 0.0006173800000000, -0.0002623100000000 ] - [ -0.0008853100000000, 0.0006503100000000, -0.0004476900000000 ] - [ -0.0044185700000000, -0.0006096300000000, -0.0015141000000000 ] - [ 0.0012959100000000, 0.0009553100000000, 0.0023980100000000 ] - [ -0.0052102500000000, -0.0013640400000000, -0.0039237800000000 ] - [ -0.0052339300000000, -0.0014215500000000, -0.0037769600000000 ] - [ -0.0009301500000000, -0.0006156800000000, -0.0004768400000000 ] - [ -0.0009188100000000, -0.0006346400000000, -0.0004419000000000 ] - [ -0.0006412500000000, 0.0015124500000000, -0.0020926300000000 ] - [ -0.0006433700000000, 0.0015104200000000, -0.0020970700000000 ] - [ 0.0010089500000000, -0.0013159400000000, 0.0023675600000000 ] - [ 0.0010081200000000, -0.0013191300000000, 0.0023725800000000 ] - [ 0.0037155000000000, 0.0003137800000000, 0.0030883100000000 ] - [ 0.0037148400000000, 0.0002985100000000, 0.0030790900000000 ] - [ -0.0002048800000000, -0.0011674500000000, -0.0022430200000000 ] - [ -0.0002500800000000, -0.0016805200000000, -0.0018958500000000 ] - [ 0.0013436600000000, -0.0003187100000000, 0.0017634400000000 ] - [ 0.0014439800000000, -0.0003281900000000, 0.0014614100000000 ] - [ 0.0038609200000000, -0.0003657200000000, 0.0030195700000000 ] - [ 0.0036118500000000, -0.0002406800000000, 0.0030844300000000 ] - [ 0.0012678400000000, 0.0004761000000000, 0.0015723000000000 ] - [ 0.0012648400000000, 0.0004891300000000, 0.0015986200000000 ] - [ -0.0007098900000000, 0.0001180900000000, -0.0023720100000000 ] - [ -0.0007978600000000, 0.0001013900000000, -0.0023921100000000 ] - [ -0.0023741500000000, -0.0008182400000000, -0.0007138800000000 ] - [ -0.0074835400000000, -0.0030759100000000, 0.0009647000000000 ] - [ -0.0007371400000000, -0.0001311300000000, -0.0024430300000000 ] - [ -0.0007692000000000, -0.0000617200000000, -0.0023915000000000 ] - [ -0.0025997300000000, 0.0007283900000000, -0.0008140100000000 ] - [ -0.0026047000000000, 0.0007341900000000, -0.0008144800000000 ] - [ -0.0000792300000000, 0.0028538600000000, -0.0023855700000000 ] - [ 0.0016926500000000, 0.0008159100000000, 0.0008858900000000 ] - [ 0.0014054400000000, 0.0000108500000000, -0.0000968900000000 ] - [ 0.0013975400000000, 0.0000205700000000, -0.0000393700000000 ] - [ 0.0013473000000000, -0.0004938000000000, -0.0003334800000000 ] - [ 0.0012994700000000, -0.0004684700000000, -0.0000659200000000 ] - [ -0.0008257700000000, 0.0031708200000000, 0.0062135400000000 ] - [ 0.0027929000000000, -0.0007727200000000, 0.0028511500000000 ] - [ 0.0016640900000000, -0.0007425600000000, 0.0008634200000000 ] - [ 0.0016630100000000, -0.0007447300000000, 0.0008661900000000 ] - [ 0.0013331000000000, 0.0000111600000000, -0.0000832200000000 ] - [ 0.0014290800000000, 0.0000168500000000, 0.0000641100000000 ] - [ 0.0013542900000000, 0.0004708600000000, -0.0000921800000000 ] - [ 0.0013393300000000, 0.0004521700000000, -0.0000608600000000 ] - [ 0.0031450200000000, 0.0012351400000000, 0.0029832600000000 ] - [ 0.0031478000000000, 0.0012312700000000, 0.0029893700000000 ] - [ -0.0013702500000000, -0.0013001800000000, -0.0011716300000000 ] - [ -0.0013667300000000, -0.0012984900000000, -0.0011678500000000 ] - [ -0.0015113100000000, 0.0012643200000000, -0.0011657200000000 ] - [ -0.0025759100000000, 0.0000776400000000, -0.0030812500000000 ] - [ -0.0009358400000000, 0.0005025900000000, -0.0010124000000000 ] - [ -0.0009366200000000, 0.0004966800000000, -0.0010198500000000 ] - [ -0.0014703800000000, -0.0002144400000000, -0.0003016100000000 ] - [ -0.0021230600000000, -0.0002245400000000, -0.0004906600000000 ] - [ -0.0012086500000000, -0.0007254100000000, -0.0010073400000000 ] - [ -0.0008843600000000, -0.0003897300000000, -0.0009714800000000 ] - [ -0.0013905300000000, 0.0002829700000000, -0.0002790900000000 ] - [ -0.0013912100000000, 0.0003044800000000, -0.0002761000000000 ] - [ -0.0022960600000000, -0.0011763300000000, -0.0005051200000000 ] - [ -0.0022566200000000, -0.0011548700000000, -0.0005374400000000 ] - [ -0.0021143200000000, -0.0002975100000000, 0.0011306300000000 ] - [ -0.0032436400000000, 0.0030050100000000, -0.0000954900000000 ] - [ -0.0022898500000000, 0.0011633600000000, -0.0005029700000000 ] - [ -0.0022873100000000, 0.0012048700000000, -0.0004909600000000 ] - [ -0.0019902100000000, 0.0007600300000000, 0.0010786700000000 ] - [ -0.0019882300000000, 0.0007643300000000, 0.0010836200000000 ] - [ -0.0036426900000000, -0.0009201800000000, 0.0036662700000000 ] - [ -0.0002229000000000, 0.0009877000000000, 0.0001093500000000 ] - [ -0.0004908700000000, -0.0009980500000000, 0.0002045300000000 ] - [ -0.0004896800000000, -0.0009994600000000, 0.0002041600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006640800000000, -0.0006359100000000, 0.0009234800000000 ] - [ 0.0006511200000000, -0.0003625600000000, 0.0008951700000000 ] - [ 0.0001853900000000, 0.0007920300000000, -0.0000281300000000 ] - [ 0.0007235400000000, -0.0037249400000000, 0.0001324900000000 ] - [ 0.0008111500000000, 0.0017726500000000, 0.0006989300000000 ] - [ 0.0016247800000000, -0.0029274400000000, 0.0008726900000000 ] - [ 0.0003347200000000, 0.0003597000000000, 0.0000047500000000 ] - [ 0.0003599100000000, 0.0005974700000000, 0.0000259100000000 ] - [ -0.0006710100000000, -0.0336430300000000, -0.0070294300000000 ] - [ -0.0005097100000000, 0.0015002900000000, -0.0003240900000000 ] - [ -0.0002616900000000, -0.0012418800000000, 0.0008324300000000 ] - [ -0.0001800100000000, -0.0004049900000000, 0.0010281100000000 ] - [ -0.0006526600000000, 0.0009488600000000, -0.0001679500000000 ] - [ -0.0006422900000000, 0.0008546400000000, -0.0001632500000000 ] - [ -0.0003060900000000, 0.0010627000000000, 0.0010638000000000 ] - [ -0.0001891300000000, 0.0004024600000000, 0.0010325100000000 ] - [ 0.0042047100000000, 0.0031102300000000, 0.0016338400000000 ] - [ 0.0039839400000000, 0.0030049900000000, -0.0029241100000000 ] - [ 0.0023366100000000, 0.0001250400000000, 0.0008410700000000 ] - [ 0.0023532600000000, 0.0001100600000000, 0.0006311800000000 ] - [ 0.0035377000000000, -0.0022006800000000, -0.0008075400000000 ] - [ 0.0035465100000000, -0.0021971400000000, -0.0006393500000000 ] - [ 0.0020093000000000, 0.0005663600000000, -0.0009114100000000 ] - [ 0.0016377900000000, 0.0009960300000000, 0.0023416300000000 ] - [ -0.0013253800000000, -0.0001070200000000, 0.0009621900000000 ] - [ -0.0014048700000000, -0.0001301600000000, -0.0001945400000000 ] - [ -0.0002744600000000, 0.0009157300000000, -0.0010014600000000 ] - [ -0.0014838300000000, 0.0014143300000000, 0.0003910700000000 ] - [ -0.0012704000000000, 0.0003007700000000, -0.0000657600000000 ] - [ -0.0011906500000000, 0.0002531500000000, 0.0008264800000000 ] - [ 0.0004325600000000, 0.0023999400000000, -0.0013510500000000 ] - [ 0.0004186700000000, 0.0023942800000000, -0.0013563300000000 ] - [ -0.0052386800000000, 0.0014623400000000, -0.0039888600000000 ] - [ -0.0052932900000000, 0.0013560800000000, -0.0037766000000000 ] - [ -0.0008983700000000, 0.0008111500000000, -0.0006854500000000 ] - [ -0.0008762400000000, 0.0004400600000000, -0.0003588700000000 ] - [ 0.0036073000000000, 0.0031377100000000, 0.0035905500000000 ] - [ 0.0009572300000000, 0.0002142700000000, 0.0028244300000000 ] - [ -0.0053182500000000, -0.0015550400000000, -0.0037004500000000 ] - [ -0.0052208900000000, -0.0012765100000000, -0.0040554300000000 ] - [ -0.0008948100000000, -0.0006811200000000, -0.0003945100000000 ] - [ -0.0009467900000000, -0.0005723600000000, -0.0005533400000000 ] - [ -0.0006531700000000, 0.0014984800000000, -0.0021411500000000 ] - [ -0.0006367900000000, 0.0014968000000000, -0.0021081500000000 ] - [ 0.0010088600000000, -0.0013344500000000, 0.0023570400000000 ] - [ 0.0010102000000000, -0.0013106600000000, 0.0023424800000000 ] - [ 0.0036991000000000, 0.0002305700000000, 0.0029562300000000 ] - [ 0.0037325000000000, 0.0003771700000000, 0.0031706000000000 ] - [ -0.0006784100000000, -0.0024863400000000, -0.0012203400000000 ] - [ -0.0005952200000000, -0.0012008200000000, -0.0030234900000000 ] - [ 0.0010704100000000, -0.0007767400000000, 0.0011604000000000 ] - [ 0.0015192200000000, -0.0003761800000000, 0.0022975200000000 ] - [ 0.0035575100000000, -0.0003102200000000, 0.0035518700000000 ] - [ 0.0039641000000000, -0.0004928100000000, 0.0028403600000000 ] - [ 0.0012606300000000, 0.0005090500000000, 0.0016301100000000 ] - [ 0.0012763000000000, 0.0004464500000000, 0.0015093200000000 ] - [ -0.0008846400000000, -0.0001353200000000, -0.0024557100000000 ] - [ -0.0006574100000000, 0.0003494700000000, -0.0024020100000000 ] - [ -0.0031798200000000, -0.0021830100000000, -0.0013060300000000 ] - [ 0.0015517500000000, 0.0023646500000000, -0.0010584800000000 ] - [ -0.0008548500000000, 0.0000610000000000, -0.0023130500000000 ] - [ -0.0006800100000000, -0.0002382400000000, -0.0025017900000000 ] - [ -0.0026139800000000, 0.0007569200000000, -0.0008391000000000 ] - [ -0.0025934000000000, 0.0007233100000000, -0.0008276400000000 ] - [ -0.0006313200000000, 0.0040695700000000, -0.0009932900000000 ] - [ 0.0022165700000000, -0.0002317400000000, 0.0003222100000000 ] - [ 0.0013464400000000, 0.0000694700000000, -0.0002281300000000 ] - [ 0.0014447200000000, -0.0000370400000000, 0.0000519600000000 ] - [ 0.0014662400000000, -0.0001904600000000, -0.0005094000000000 ] - [ 0.0012281400000000, -0.0006740800000000, 0.0000827000000000 ] - [ -0.0010797600000000, 0.0045397700000000, 0.0068590100000000 ] - [ 0.0032765800000000, -0.0019757500000000, 0.0032295900000000 ] - [ 0.0016602300000000, -0.0007527000000000, 0.0008481900000000 ] - [ 0.0016710000000000, -0.0007208200000000, 0.0008355900000000 ] - [ 0.0014812900000000, -0.0001559700000000, 0.0000863500000000 ] - [ 0.0010892800000000, 0.0001192000000000, -0.0004098100000000 ] - [ 0.0013056000000000, 0.0004073200000000, -0.0000297300000000 ] - [ 0.0014033500000000, 0.0005285600000000, -0.0002373300000000 ] - [ 0.0031428300000000, 0.0012186800000000, 0.0029764900000000 ] - [ 0.0031329500000000, 0.0012447300000000, 0.0029461400000000 ] - [ -0.0013642100000000, -0.0012615500000000, -0.0012178300000000 ] - [ -0.0013766000000000, -0.0013236800000000, -0.0011702100000000 ] - [ -0.0011615300000000, 0.0005877800000000, -0.0011582300000000 ] - [ -0.0000459000000000, 0.0086407200000000, 0.0062257900000000 ] - [ -0.0009220600000000, 0.0004355600000000, -0.0010415100000000 ] - [ -0.0009526700000000, 0.0005575600000000, -0.0010122900000000 ] - [ -0.0013021400000000, -0.0010144300000000, -0.0004284500000000 ] - [ -0.0016149200000000, 0.0011831600000000, 0.0003308000000000 ] - [ -0.0006803400000000, 0.0003237800000000, -0.0007733800000000 ] - [ -0.0011484600000000, -0.0010344900000000, -0.0012080800000000 ] - [ -0.0013922300000000, 0.0003503700000000, -0.0002812400000000 ] - [ -0.0013911900000000, 0.0002394100000000, -0.0003102700000000 ] - [ -0.0022554800000000, -0.0012947500000000, -0.0007492100000000 ] - [ -0.0023235700000000, -0.0011060800000000, -0.0003069700000000 ] - [ -0.0018792200000000, -0.0018478900000000, 0.0008221200000000 ] - [ -0.0058000500000000, 0.0064030600000000, -0.0009098800000000 ] - [ -0.0022112200000000, 0.0012232100000000, -0.0004135800000000 ] - [ -0.0023465600000000, 0.0011419100000000, -0.0006051800000000 ] - [ -0.0019790400000000, 0.0007691600000000, 0.0010719600000000 ] - [ -0.0019840000000000, 0.0007501800000000, 0.0010521800000000 ] - [ 0.0027156600000000, 0.0030368800000000, -0.0026319800000000 ] - [ -0.0007055800000000, 0.0001729900000000, -0.0001729000000000 ] - [ -0.0004906500000000, -0.0010131000000000, 0.0001688500000000 ] - [ -0.0004958500000000, -0.0009900600000000, 0.0001951600000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006535300000000, -0.0003457200000000, 0.0008291700000000 ] - [ 0.0006664500000000, -0.0006192600000000, 0.0008577000000000 ] - [ 0.0005068100000000, -0.0017655900000000, 0.0000052400000000 ] - [ -0.0000281600000000, 0.0027588600000000, -0.0001601700000000 ] - [ 0.0005052100000000, -0.0007934800000000, 0.0010531400000000 ] - [ -0.0003065200000000, 0.0039129500000000, 0.0008808800000000 ] - [ 0.0003581100000000, 0.0006111000000000, -0.0000300500000000 ] - [ 0.0003327900000000, 0.0003729400000000, -0.0000511800000000 ] - [ -0.0005837700000000, 0.0321083000000000, 0.0067058100000000 ] - [ -0.0007878700000000, -0.0033129900000000, -0.0000642400000000 ] - [ -0.0002059000000000, -0.0002911500000000, 0.0011979700000000 ] - [ -0.0002880000000000, -0.0011276000000000, 0.0010061300000000 ] - [ -0.0006425500000000, 0.0008621500000000, -0.0002202500000000 ] - [ -0.0006529900000000, 0.0009564700000000, -0.0002249400000000 ] - [ -0.0001616800000000, 0.0004687000000000, 0.0009691000000000 ] - [ -0.0002791700000000, 0.0011296300000000, 0.0010004200000000 ] - [ 0.0028905700000000, 0.0012915300000000, -0.0031303700000000 ] - [ 0.0031076600000000, 0.0013978900000000, 0.0014295300000000 ] - [ 0.0023413100000000, 0.0001002900000000, 0.0005688200000000 ] - [ 0.0023245800000000, 0.0001156300000000, 0.0007787000000000 ] - [ 0.0035553500000000, -0.0022031400000000, -0.0006979100000000 ] - [ 0.0035464700000000, -0.0022066300000000, -0.0008662300000000 ] - [ 0.0026720800000000, -0.0007942700000000, 0.0023243200000000 ] - [ 0.0030379700000000, -0.0012231800000000, -0.0009367800000000 ] - [ -0.0013117200000000, -0.0002467400000000, -0.0001820700000000 ] - [ -0.0012323100000000, -0.0002214900000000, 0.0009781900000000 ] - [ 0.0011297400000000, -0.0057217300000000, -0.0017982500000000 ] - [ 0.0023392100000000, -0.0062167200000000, -0.0031815100000000 ] - [ -0.0013663200000000, 0.0000514900000000, 0.0008473100000000 ] - [ -0.0014454800000000, 0.0000996800000000, -0.0000463200000000 ] - [ 0.0004151100000000, 0.0023918300000000, -0.0014419200000000 ] - [ 0.0004290900000000, 0.0023975200000000, -0.0014366800000000 ] - [ -0.0052994600000000, 0.0013643500000000, -0.0037179700000000 ] - [ -0.0052448000000000, 0.0014704200000000, -0.0039307400000000 ] - [ -0.0009456500000000, 0.0004391300000000, -0.0002336600000000 ] - [ -0.0009676600000000, 0.0008099100000000, -0.0005614200000000 ] - [ -0.0015506900000000, -0.0004986000000000, 0.0011593400000000 ] - [ 0.0010616100000000, 0.0024182300000000, 0.0019055800000000 ] - [ -0.0052198400000000, -0.0012717000000000, -0.0040068800000000 ] - [ -0.0053172900000000, -0.0015505700000000, -0.0036511100000000 ] - [ -0.0009492200000000, -0.0005691400000000, -0.0005248100000000 ] - [ -0.0008971400000000, -0.0006781200000000, -0.0003656400000000 ] - [ -0.0006330900000000, 0.0015141600000000, -0.0020680200000000 ] - [ -0.0006495100000000, 0.0015157200000000, -0.0021011300000000 ] - [ 0.0010091300000000, -0.0013032000000000, 0.0023724300000000 ] - [ 0.0010078100000000, -0.0013270400000000, 0.0023869600000000 ] - [ 0.0037318500000000, 0.0003812500000000, 0.0031918900000000 ] - [ 0.0036983600000000, 0.0002340900000000, 0.0029773200000000 ] - [ -0.0006089300000000, -0.0005206200000000, -0.0029904200000000 ] - [ -0.0006917900000000, -0.0018121300000000, -0.0011821200000000 ] - [ 0.0014638000000000, -0.0001826500000000, 0.0020023200000000 ] - [ 0.0010144500000000, -0.0005853200000000, 0.0008604900000000 ] - [ 0.0038739700000000, -0.0003017900000000, 0.0025957600000000 ] - [ 0.0034670100000000, -0.0001193100000000, 0.0033085200000000 ] - [ 0.0012741100000000, 0.0004521300000000, 0.0015320100000000 ] - [ 0.0012584600000000, 0.0005148000000000, 0.0016530300000000 ] - [ -0.0006304100000000, 0.0003213000000000, -0.0023618700000000 ] - [ -0.0008596100000000, -0.0001656900000000, -0.0024150700000000 ] - [ -0.0020253400000000, 0.0007168000000000, -0.0003342200000000 ] - [ -0.0068563500000000, -0.0038761400000000, -0.0005625000000000 ] - [ -0.0006606000000000, -0.0002466800000000, -0.0025045200000000 ] - [ -0.0008357200000000, 0.0000529200000000, -0.0023155500000000 ] - [ -0.0025920100000000, 0.0007114300000000, -0.0008008900000000 ] - [ -0.0026126200000000, 0.0007450600000000, -0.0008123600000000 ] - [ 0.0038771000000000, -0.0025301100000000, 0.0026478200000000 ] - [ 0.0011108600000000, 0.0017157600000000, 0.0013957700000000 ] - [ 0.0014533700000000, -0.0000426300000000, 0.0001624400000000 ] - [ 0.0013550000000000, 0.0000637200000000, -0.0001179500000000 ] - [ 0.0012288600000000, -0.0007368400000000, 0.0003281100000000 ] - [ 0.0014673200000000, -0.0002531900000000, -0.0002639200000000 ] - [ 0.0072335800000000, -0.0068869600000000, -0.0007757200000000 ] - [ 0.0030107100000000, -0.0004897500000000, 0.0027286900000000 ] - [ 0.0016673300000000, -0.0007313700000000, 0.0008686400000000 ] - [ 0.0016564700000000, -0.0007633000000000, 0.0008813700000000 ] - [ 0.0013182500000000, 0.0001291700000000, -0.0001520700000000 ] - [ 0.0017099200000000, -0.0001463100000000, 0.0003435100000000 ] - [ 0.0013894200000000, 0.0005195900000000, -0.0001502700000000 ] - [ 0.0012915400000000, 0.0003981500000000, 0.0000573200000000 ] - [ 0.0031434700000000, 0.0012470200000000, 0.0029827100000000 ] - [ 0.0031535600000000, 0.0012212500000000, 0.0030132300000000 ] - [ -0.0013722600000000, -0.0013362900000000, -0.0011287200000000 ] - [ -0.0013598900000000, -0.0012741600000000, -0.0011764800000000 ] - [ -0.0015748400000000, 0.0020104100000000, -0.0011865600000000 ] - [ -0.0027290000000000, -0.0061533800000000, -0.0087836300000000 ] - [ -0.0009495700000000, 0.0005660100000000, -0.0010033300000000 ] - [ -0.0009190000000000, 0.0004435200000000, -0.0010321900000000 ] - [ -0.0014807800000000, 0.0004269100000000, -0.0001406300000000 ] - [ -0.0011692700000000, -0.0017787400000000, -0.0008890000000000 ] - [ -0.0011919200000000, -0.0013282200000000, -0.0012696600000000 ] - [ -0.0007226800000000, 0.0000332500000000, -0.0008357100000000 ] - [ -0.0013910000000000, 0.0002374000000000, -0.0002864500000000 ] - [ -0.0013920500000000, 0.0003484600000000, -0.0002573500000000 ] - [ -0.0023291600000000, -0.0010818200000000, -0.0002780300000000 ] - [ -0.0022594400000000, -0.0012723100000000, -0.0007203600000000 ] - [ -0.0021040900000000, 0.0003187700000000, 0.0013269800000000 ] - [ 0.0020238100000000, -0.0082054500000000, 0.0031434500000000 ] - [ -0.0023730700000000, 0.0011533100000000, -0.0006138200000000 ] - [ -0.0022374800000000, 0.0012346700000000, -0.0004219200000000 ] - [ -0.0019944900000000, 0.0007537300000000, 0.0010786500000000 ] - [ -0.0019895100000000, 0.0007727500000000, 0.0010984100000000 ] - [ -0.0036270700000000, -0.0010072400000000, 0.0029608300000000 ] - [ -0.0002782600000000, 0.0018285200000000, 0.0005707900000000 ] - [ -0.0004916700000000, -0.0009857100000000, 0.0002265200000000 ] - [ -0.0004865300000000, -0.0010088500000000, 0.0002002600000000 ]- atom: 9 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0006561500000000, -0.0004576600000000, 0.0016097500000000 ] - [ 0.0006827400000000, -0.0004655300000000, 0.0015042000000000 ] - [ 0.0004032500000000, -0.0003879000000000, -0.0005748100000000 ] - [ -0.0012058100000000, -0.0009293700000000, 0.0010645800000000 ] - [ 0.0006346800000000, 0.0003803900000000, 0.0006470700000000 ] - [ 0.0021970600000000, 0.0001303500000000, 0.0027441200000000 ] - [ 0.0003385600000000, 0.0004981000000000, 0.0006445400000000 ] - [ 0.0003237800000000, 0.0005235200000000, 0.0005718900000000 ] - [ -0.0009909000000000, -0.0077561500000000, -0.0303184600000000 ] - [ -0.0007183500000000, -0.0010399400000000, -0.0016102000000000 ] - [ -0.0002293700000000, -0.0005008400000000, 0.0026183000000000 ] - [ -0.0002422000000000, -0.0007890100000000, 0.0012188100000000 ] - [ -0.0006360000000000, 0.0008795400000000, 0.0003682700000000 ] - [ -0.0006368800000000, 0.0008752300000000, 0.0004076400000000 ] - [ -0.0002366400000000, 0.0007664800000000, 0.0013826200000000 ] - [ -0.0003238500000000, 0.0008223300000000, 0.0018940500000000 ] - [ 0.0040803400000000, 0.0040865800000000, -0.0000150900000000 ] - [ 0.0038992100000000, 0.0005476500000000, -0.0011696600000000 ] - [ 0.0023513000000000, 0.0001561800000000, 0.0013672700000000 ] - [ 0.0023325200000000, -0.0000068500000000, 0.0014010000000000 ] - [ 0.0035785500000000, -0.0022404800000000, -0.0001237300000000 ] - [ 0.0035519300000000, -0.0021672600000000, -0.0001148500000000 ] - [ 0.0023656300000000, -0.0012443800000000, 0.0013148500000000 ] - [ 0.0009614000000000, 0.0015182900000000, 0.0018135700000000 ] - [ -0.0014105100000000, 0.0003089600000000, 0.0011637500000000 ] - [ -0.0011884400000000, -0.0007195800000000, 0.0009039900000000 ] - [ 0.0000352400000000, -0.0033334800000000, -0.0096252200000000 ] - [ 0.0007561400000000, -0.0035463900000000, -0.0052350700000000 ] - [ -0.0013883200000000, -0.0001058800000000, 0.0011811700000000 ] - [ -0.0011232200000000, 0.0005002700000000, 0.0012005500000000 ] - [ 0.0004301800000000, 0.0023938800000000, -0.0005255600000000 ] - [ 0.0004289800000000, 0.0023810800000000, -0.0005096800000000 ] - [ -0.0053256400000000, 0.0013819600000000, -0.0041894700000000 ] - [ -0.0052973500000000, 0.0015115400000000, -0.0041056400000000 ] - [ -0.0010043800000000, 0.0002785000000000, -0.0008020500000000 ] - [ -0.0009516700000000, 0.0007862600000000, -0.0004680400000000 ] - [ 0.0044581200000000, 0.0019908200000000, 0.0064045000000000 ] - [ 0.0009528000000000, 0.0013807200000000, 0.0028235500000000 ] - [ -0.0052266200000000, -0.0013005200000000, -0.0039836300000000 ] - [ -0.0052923700000000, -0.0015701400000000, -0.0041929000000000 ] - [ -0.0009147900000000, -0.0005539700000000, -0.0006782900000000 ] - [ -0.0008780700000000, -0.0006090500000000, -0.0007338800000000 ] - [ -0.0006770500000000, 0.0013258400000000, -0.0025236100000000 ] - [ -0.0006834100000000, 0.0013565100000000, -0.0025012400000000 ] - [ 0.0010160400000000, -0.0013779300000000, 0.0020688200000000 ] - [ 0.0010129700000000, -0.0013874600000000, 0.0020497800000000 ] - [ 0.0037506900000000, 0.0001360600000000, 0.0027282900000000 ] - [ 0.0037849500000000, 0.0002313600000000, 0.0026780500000000 ] - [ -0.0004567900000000, -0.0010365100000000, -0.0016077200000000 ] - [ -0.0005119500000000, -0.0025992400000000, -0.0006129600000000 ] - [ 0.0011617200000000, -0.0008287700000000, 0.0015841100000000 ] - [ 0.0012791300000000, -0.0001177800000000, 0.0015513800000000 ] - [ 0.0036790000000000, 0.0001361300000000, 0.0025725800000000 ] - [ 0.0039296200000000, -0.0004972600000000, 0.0030074100000000 ] - [ 0.0012309400000000, 0.0004372200000000, 0.0012730100000000 ] - [ 0.0012434800000000, 0.0003857100000000, 0.0012840900000000 ] - [ -0.0008301700000000, -0.0000506500000000, -0.0024620000000000 ] - [ -0.0004508500000000, 0.0004466400000000, -0.0027506900000000 ] - [ -0.0024434700000000, -0.0007117600000000, -0.0000904700000000 ] - [ -0.0040530900000000, -0.0003811000000000, 0.0012199600000000 ] - [ -0.0008189900000000, -0.0000653700000000, -0.0026341600000000 ] - [ -0.0007311800000000, -0.0002044800000000, -0.0025787800000000 ] - [ -0.0026162500000000, 0.0008600100000000, -0.0010996600000000 ] - [ -0.0026155100000000, 0.0008488100000000, -0.0010845700000000 ] - [ 0.0036687100000000, -0.0006217700000000, 0.0063598700000000 ] - [ 0.0013266500000000, 0.0008293200000000, 0.0017937700000000 ] - [ 0.0013441300000000, -0.0000024600000000, -0.0003707500000000 ] - [ 0.0013232900000000, 0.0000953600000000, -0.0002600200000000 ] - [ 0.0015728800000000, -0.0007256900000000, -0.0004146200000000 ] - [ 0.0013357700000000, -0.0003077600000000, -0.0000965700000000 ] - [ 0.0004699100000000, 0.0027182100000000, 0.0081614800000000 ] - [ 0.0033158600000000, -0.0009985700000000, 0.0034575900000000 ] - [ 0.0017088500000000, -0.0006335500000000, 0.0005409000000000 ] - [ 0.0017162800000000, -0.0006164000000000, 0.0005106200000000 ] - [ 0.0013389700000000, 0.0000863800000000, -0.0001743300000000 ] - [ 0.0011666000000000, -0.0002034800000000, -0.0006163300000000 ] - [ 0.0014347000000000, 0.0005055100000000, -0.0003119600000000 ] - [ 0.0014209800000000, 0.0004707700000000, -0.0004329700000000 ] - [ 0.0030459700000000, 0.0012143000000000, 0.0026855700000000 ] - [ 0.0030416700000000, 0.0012084700000000, 0.0026566100000000 ] - [ -0.0013997600000000, -0.0012092600000000, -0.0015591700000000 ] - [ -0.0013849600000000, -0.0011964900000000, -0.0015337000000000 ] - [ -0.0014128500000000, 0.0018029300000000, -0.0006007500000000 ] - [ 0.0011831900000000, 0.0096042400000000, 0.0090655700000000 ] - [ -0.0008876300000000, 0.0005456900000000, -0.0012657000000000 ] - [ -0.0008654600000000, 0.0006530100000000, -0.0014355400000000 ] - [ -0.0013712500000000, -0.0004469900000000, 0.0000035800000000 ] - [ -0.0011397500000000, 0.0005120300000000, -0.0022308000000000 ] - [ -0.0007379300000000, -0.0003114700000000, -0.0015906400000000 ] - [ -0.0010022300000000, -0.0007174500000000, -0.0010527200000000 ] - [ -0.0013964600000000, 0.0003167900000000, -0.0006245100000000 ] - [ -0.0014023600000000, 0.0002905700000000, -0.0005752800000000 ] - [ -0.0022627400000000, -0.0013491200000000, -0.0006832500000000 ] - [ -0.0025930600000000, -0.0008511800000000, -0.0008290600000000 ] - [ -0.0025778300000000, -0.0009333500000000, 0.0020569800000000 ] - [ -0.0015476800000000, -0.0023790600000000, 0.0025260800000000 ] - [ -0.0022744700000000, 0.0013033600000000, -0.0007837300000000 ] - [ -0.0023405200000000, 0.0011234600000000, -0.0007160500000000 ] - [ -0.0018805800000000, 0.0007393800000000, 0.0008018100000000 ] - [ -0.0018815200000000, 0.0007365700000000, 0.0008038300000000 ] - [ -0.0041241300000000, -0.0014033600000000, 0.0064250200000000 ] - [ -0.0002551300000000, 0.0009265400000000, 0.0012464400000000 ] - [ -0.0005328300000000, -0.0010337700000000, -0.0001325000000000 ] - [ -0.0005403000000000, -0.0010219700000000, -0.0001501700000000 ]- atom: 9 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0006610300000000, -0.0005240500000000, 0.0001432300000000 ] - [ 0.0006345400000000, -0.0005163600000000, 0.0002483400000000 ] - [ 0.0002886500000000, -0.0005827000000000, 0.0005467200000000 ] - [ 0.0018789200000000, -0.0000377400000000, -0.0010907500000000 ] - [ 0.0006822500000000, 0.0006010500000000, 0.0011082300000000 ] - [ -0.0008919000000000, 0.0008536400000000, -0.0010024800000000 ] - [ 0.0003542000000000, 0.0004724800000000, -0.0006704500000000 ] - [ 0.0003689600000000, 0.0004468400000000, -0.0005973700000000 ] - [ -0.0002365100000000, 0.0059724200000000, 0.0302486800000000 ] - [ -0.0005758100000000, -0.0007696400000000, 0.0012252100000000 ] - [ -0.0002389200000000, -0.0010297800000000, -0.0005799100000000 ] - [ -0.0002260400000000, -0.0007438000000000, 0.0008125100000000 ] - [ -0.0006592500000000, 0.0009315200000000, -0.0007562300000000 ] - [ -0.0006584300000000, 0.0009358900000000, -0.0007955500000000 ] - [ -0.0002315500000000, 0.0007659200000000, 0.0006506400000000 ] - [ -0.0001441800000000, 0.0007090300000000, 0.0001360700000000 ] - [ 0.0030147300000000, 0.0003280700000000, -0.0014876000000000 ] - [ 0.0031987400000000, 0.0038468600000000, -0.0003456900000000 ] - [ 0.0023267800000000, 0.0000692800000000, 0.0000425100000000 ] - [ 0.0023454400000000, 0.0002314700000000, 0.0000090100000000 ] - [ 0.0035139500000000, -0.0021626000000000, -0.0013820300000000 ] - [ 0.0035406700000000, -0.0022361400000000, -0.0013908100000000 ] - [ 0.0023160900000000, 0.0010226900000000, 0.0000981900000000 ] - [ 0.0037171800000000, -0.0017508700000000, -0.0004075700000000 ] - [ -0.0012267700000000, -0.0006586500000000, -0.0003844000000000 ] - [ -0.0014475700000000, 0.0003650200000000, -0.0001255200000000 ] - [ 0.0008105100000000, -0.0014574300000000, 0.0068384000000000 ] - [ 0.0000862300000000, -0.0012339900000000, 0.0024634600000000 ] - [ -0.0012479700000000, 0.0004591000000000, -0.0003999400000000 ] - [ -0.0015135400000000, -0.0001490900000000, -0.0004199300000000 ] - [ 0.0004177100000000, 0.0023980900000000, -0.0022675900000000 ] - [ 0.0004189100000000, 0.0024104400000000, -0.0022834500000000 ] - [ -0.0052129400000000, 0.0014438000000000, -0.0035170100000000 ] - [ -0.0052411300000000, 0.0013148700000000, -0.0036005800000000 ] - [ -0.0008415600000000, 0.0009684500000000, -0.0001184100000000 ] - [ -0.0008924800000000, 0.0004637000000000, -0.0004509400000000 ] - [ -0.0023622100000000, 0.0006794500000000, -0.0016456000000000 ] - [ 0.0010655400000000, 0.0012505000000000, 0.0019082800000000 ] - [ -0.0053119500000000, -0.0015263300000000, -0.0037234700000000 ] - [ -0.0052461700000000, -0.0012554100000000, -0.0035132000000000 ] - [ -0.0009293100000000, -0.0006957800000000, -0.0002414900000000 ] - [ -0.0009662100000000, -0.0006404900000000, -0.0001855000000000 ] - [ -0.0006091300000000, 0.0016862200000000, -0.0016862800000000 ] - [ -0.0006028600000000, 0.0016556800000000, -0.0017085800000000 ] - [ 0.0010017800000000, -0.0012590100000000, 0.0026608800000000 ] - [ 0.0010049000000000, -0.0012494500000000, 0.0026799000000000 ] - [ 0.0036803300000000, 0.0004760300000000, 0.0034208900000000 ] - [ 0.0036461900000000, 0.0003810800000000, 0.0034707400000000 ] - [ -0.0008298000000000, -0.0019734300000000, -0.0026033400000000 ] - [ -0.0007749700000000, -0.0004075300000000, -0.0036001400000000 ] - [ 0.0013721300000000, -0.0001327000000000, 0.0015801800000000 ] - [ 0.0012550000000000, -0.0008433300000000, 0.0016128400000000 ] - [ 0.0037528100000000, -0.0007494800000000, 0.0035765600000000 ] - [ 0.0035015100000000, -0.0001142200000000, 0.0031406300000000 ] - [ 0.0013038300000000, 0.0005239500000000, 0.0018886900000000 ] - [ 0.0012912800000000, 0.0005757500000000, 0.0018776300000000 ] - [ -0.0006847500000000, 0.0002361800000000, -0.0023542600000000 ] - [ -0.0010622500000000, -0.0002593700000000, -0.0020667800000000 ] - [ -0.0027617200000000, -0.0007582500000000, -0.0015509500000000 ] - [ -0.0011631500000000, -0.0010978000000000, -0.0028692800000000 ] - [ -0.0006955500000000, -0.0001212400000000, -0.0021827600000000 ] - [ -0.0007840400000000, 0.0000185900000000, -0.0022384900000000 ] - [ -0.0025894100000000, 0.0006077600000000, -0.0005404100000000 ] - [ -0.0025902300000000, 0.0006190900000000, -0.0005555800000000 ] - [ -0.0004140600000000, 0.0021631800000000, -0.0046889900000000 ] - [ 0.0020038500000000, 0.0006540400000000, -0.0000807000000000 ] - [ 0.0014566800000000, 0.0000288500000000, 0.0003058600000000 ] - [ 0.0014774800000000, -0.0000685000000000, 0.0001953900000000 ] - [ 0.0011243800000000, -0.0002035300000000, 0.0002341400000000 ] - [ 0.0013591400000000, -0.0006185600000000, -0.0000829400000000 ] - [ 0.0057334700000000, -0.0050810500000000, -0.0021436900000000 ] - [ 0.0029720000000000, -0.0014688200000000, 0.0025028500000000 ] - [ 0.0016194900000000, -0.0008502700000000, 0.0011752000000000 ] - [ 0.0016120400000000, -0.0008673200000000, 0.0012054400000000 ] - [ 0.0014614600000000, -0.0001138600000000, 0.0001087400000000 ] - [ 0.0016338700000000, 0.0001778400000000, 0.0005514600000000 ] - [ 0.0012607300000000, 0.0004212200000000, 0.0001316900000000 ] - [ 0.0012745800000000, 0.0004561000000000, 0.0002529700000000 ] - [ 0.0032410300000000, 0.0012512300000000, 0.0032739900000000 ] - [ 0.0032455500000000, 0.0012574200000000, 0.0033031400000000 ] - [ -0.0013364700000000, -0.0013887900000000, -0.0007878900000000 ] - [ -0.0013512000000000, -0.0014014600000000, -0.0008133800000000 ] - [ -0.0013233500000000, 0.0007934900000000, -0.0017474600000000 ] - [ -0.0040024100000000, -0.0073166800000000, -0.0117264000000000 ] - [ -0.0009837500000000, 0.0004558100000000, -0.0007779200000000 ] - [ -0.0010057500000000, 0.0003488600000000, -0.0006089600000000 ] - [ -0.0014117600000000, -0.0001415200000000, -0.0005704500000000 ] - [ -0.0016406000000000, -0.0011009900000000, 0.0017056700000000 ] - [ -0.0011342300000000, -0.0006919800000000, -0.0004506200000000 ] - [ -0.0008684300000000, -0.0002839200000000, -0.0009919500000000 ] - [ -0.0013868100000000, 0.0002710000000000, 0.0000568600000000 ] - [ -0.0013809200000000, 0.0002973300000000, 0.0000073900000000 ] - [ -0.0023223700000000, -0.0010281300000000, -0.0003430600000000 ] - [ -0.0019936800000000, -0.0015236700000000, -0.0001984900000000 ] - [ -0.0013946300000000, -0.0005905800000000, 0.0000931900000000 ] - [ -0.0024256700000000, 0.0008528800000000, -0.0003860700000000 ] - [ -0.0023111600000000, 0.0010725700000000, -0.0002430800000000 ] - [ -0.0022445100000000, 0.0012534000000000, -0.0003111500000000 ] - [ -0.0020934700000000, 0.0007831400000000, 0.0013489200000000 ] - [ -0.0020924400000000, 0.0007860800000000, 0.0013468800000000 ] - [ 0.0032628400000000, 0.0034994200000000, -0.0061109400000000 ] - [ -0.0007293400000000, 0.0010720500000000, -0.0008554200000000 ] - [ -0.0004497300000000, -0.0009643800000000, 0.0005270400000000 ] - [ -0.0004424000000000, -0.0009761600000000, 0.0005446700000000 ]- atom: 11 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0023728600000000, -0.0007918500000000, 0.0004856200000000 ] - [ 0.0008115400000000, -0.0002886000000000, 0.0009389900000000 ] - [ 0.0004843600000000, -0.0002672900000000, -0.0000000700000000 ] - [ 0.0020525200000000, -0.0011652700000000, 0.0013692700000000 ] - [ 0.0006615700000000, 0.0005074900000000, 0.0008693700000000 ] - [ 0.0006632700000000, 0.0004847100000000, 0.0008795300000000 ] - [ 0.0003339700000000, 0.0004565200000000, -0.0000154500000000 ] - [ 0.0003525100000000, 0.0005090500000000, -0.0000192500000000 ] - [ -0.0007395800000000, -0.0009343000000000, -0.0001922300000000 ] - [ -0.0006372500000000, -0.0008515100000000, -0.0002020900000000 ] - [ -0.0382497000000000, -0.0064274000000000, 0.0012336000000000 ] - [ -0.0005517900000000, -0.0006653800000000, 0.0010970200000000 ] - [ -0.0006752400000000, 0.0009782700000000, -0.0001977600000000 ] - [ -0.0006112700000000, 0.0008605000000000, -0.0002840700000000 ] - [ -0.0002357100000000, 0.0007730200000000, 0.0010121900000000 ] - [ -0.0002318000000000, 0.0007590600000000, 0.0010103600000000 ] - [ 0.0019073000000000, 0.0027249000000000, -0.0011951300000000 ] - [ 0.0036068600000000, 0.0022043500000000, -0.0012162900000000 ] - [ 0.0006799100000000, 0.0007857300000000, 0.0011485900000000 ] - [ 0.0021365500000000, 0.0004825700000000, 0.0009030900000000 ] - [ 0.0035463600000000, -0.0022035200000000, -0.0007383400000000 ] - [ 0.0035506100000000, -0.0021961100000000, -0.0007786100000000 ] - [ 0.0023321400000000, -0.0001052100000000, 0.0006823200000000 ] - [ 0.0023383500000000, -0.0001125100000000, 0.0007086900000000 ] - [ 0.0028177300000000, 0.0015076100000000, 0.0004140800000000 ] - [ 0.0021779500000000, 0.0025482900000000, -0.0002311600000000 ] - [ 0.0006361400000000, -0.0023372800000000, -0.0014661400000000 ] - [ 0.0003757100000000, -0.0023885500000000, -0.0013290700000000 ] - [ -0.0013178900000000, 0.0001737200000000, 0.0003857500000000 ] - [ -0.0013191300000000, 0.0001782400000000, 0.0003795200000000 ] - [ 0.0004673200000000, 0.0025374800000000, -0.0012132600000000 ] - [ 0.0003477700000000, 0.0024766300000000, -0.0014817800000000 ] - [ -0.0000728900000000, 0.0038199500000000, 0.0001726200000000 ] - [ -0.0055006600000000, 0.0013657800000000, -0.0037944700000000 ] - [ 0.0077420400000000, 0.0041024000000000, -0.0067679700000000 ] - [ -0.0012122400000000, 0.0006394300000000, -0.0005002900000000 ] - [ 0.0009365400000000, 0.0012959000000000, 0.0026291900000000 ] - [ 0.0009856800000000, 0.0012698300000000, 0.0023446000000000 ] - [ -0.0052701700000000, -0.0014145100000000, -0.0038492100000000 ] - [ -0.0052701100000000, -0.0014117700000000, -0.0038503500000000 ] - [ -0.0009223200000000, -0.0006270300000000, -0.0004598600000000 ] - [ -0.0009221800000000, -0.0006233800000000, -0.0004536500000000 ] - [ -0.0006867700000000, 0.0012970300000000, -0.0024304900000000 ] - [ -0.0005990000000000, 0.0014632400000000, -0.0020894600000000 ] - [ 0.0010281600000000, -0.0013396500000000, 0.0023374600000000 ] - [ 0.0010126000000000, -0.0013076400000000, 0.0024096600000000 ] - [ 0.0032911900000000, -0.0002208200000000, 0.0028588400000000 ] - [ 0.0031495300000000, 0.0004331000000000, 0.0035628700000000 ] - [ -0.0006424200000000, -0.0015156000000000, -0.0020838500000000 ] - [ -0.0006376000000000, -0.0014970500000000, -0.0021066600000000 ] - [ 0.0008707200000000, -0.0010912600000000, 0.0018384400000000 ] - [ 0.0005543900000000, -0.0008245100000000, 0.0011092000000000 ] - [ 0.0037122200000000, -0.0003038400000000, 0.0030784000000000 ] - [ 0.0037164000000000, -0.0003089100000000, 0.0030768100000000 ] - [ 0.0012649000000000, 0.0004848400000000, 0.0015799400000000 ] - [ 0.0012701600000000, 0.0004778100000000, 0.0015889000000000 ] - [ -0.0010128900000000, 0.0000178600000000, -0.0023856800000000 ] - [ 0.0101587600000000, 0.0050948500000000, -0.0010414000000000 ] - [ -0.0026269700000000, -0.0007327100000000, -0.0007958700000000 ] - [ -0.0025245100000000, -0.0007024400000000, -0.0008089000000000 ] - [ -0.0007598700000000, -0.0000883000000000, -0.0024057200000000 ] - [ -0.0007549800000000, -0.0000964300000000, -0.0024071800000000 ] - [ -0.0026536300000000, 0.0007866700000000, -0.0008634400000000 ] - [ -0.0025821300000000, 0.0006936300000000, -0.0007930500000000 ] - [ 0.0016406900000000, 0.0007368700000000, 0.0008115100000000 ] - [ 0.0016707100000000, 0.0007306700000000, 0.0008468700000000 ] - [ 0.0027878500000000, -0.0013681000000000, -0.0011973600000000 ] - [ 0.0015121000000000, -0.0001871100000000, 0.0000780100000000 ] - [ 0.0054503500000000, -0.0048726600000000, 0.0035071000000000 ] - [ 0.0016079900000000, -0.0007876500000000, -0.0002216900000000 ] - [ 0.0031294600000000, -0.0012101400000000, 0.0027462200000000 ] - [ 0.0031408300000000, -0.0012682800000000, 0.0029817100000000 ] - [ 0.0016245800000000, -0.0007723000000000, 0.0008599200000000 ] - [ 0.0017046000000000, -0.0007015900000000, 0.0008221900000000 ] - [ 0.0014024300000000, -0.0000139500000000, -0.0000291500000000 ] - [ 0.0014005900000000, -0.0000121000000000, -0.0000307000000000 ] - [ 0.0013490400000000, 0.0004608900000000, -0.0000900700000000 ] - [ 0.0013458400000000, 0.0004663300000000, -0.0000862100000000 ] - [ 0.0031268100000000, 0.0012197800000000, 0.0029670600000000 ] - [ 0.0031461800000000, 0.0012375700000000, 0.0029939500000000 ] - [ -0.0013272300000000, -0.0013050500000000, -0.0010212700000000 ] - [ -0.0014261300000000, -0.0013819000000000, -0.0011183400000000 ] - [ -0.0013657800000000, 0.0012936100000000, -0.0011659300000000 ] - [ -0.0013686300000000, 0.0013054700000000, -0.0011801000000000 ] - [ -0.0008383100000000, 0.0004647400000000, -0.0010245700000000 ] - [ 0.0002679900000000, 0.0009444100000000, -0.0029710000000000 ] - [ -0.0013492300000000, -0.0004172600000000, -0.0002695300000000 ] - [ -0.0004664300000000, -0.0002894100000000, -0.0003176500000000 ] - [ -0.0009291900000000, -0.0004929700000000, -0.0010163300000000 ] - [ -0.0009377100000000, -0.0005056200000000, -0.0010214500000000 ] - [ -0.0013924300000000, 0.0003085900000000, -0.0002840800000000 ] - [ -0.0013919000000000, 0.0002816900000000, -0.0002794000000000 ] - [ -0.0021301900000000, -0.0018678400000000, -0.0004247000000000 ] - [ -0.0021951900000000, -0.0035215600000000, -0.0007023500000000 ] - [ -0.0019757400000000, -0.0007923700000000, 0.0011093900000000 ] - [ -0.0019744100000000, -0.0007966000000000, 0.0009968800000000 ] - [ -0.0022910000000000, 0.0011906800000000, -0.0005139000000000 ] - [ -0.0022933900000000, 0.0011863000000000, -0.0005099900000000 ] - [ -0.0019409900000000, 0.0007835300000000, 0.0010448300000000 ] - [ -0.0020031800000000, 0.0007427700000000, 0.0010914300000000 ] - [ -0.0004743600000000, 0.0009767900000000, 0.0002728200000000 ] - [ -0.0004932000000000, 0.0009887200000000, 0.0001880100000000 ] - [ -0.0004840800000000, -0.0010546500000000, 0.0001369800000000 ] - [ -0.0003852500000000, -0.0010501100000000, 0.0003641800000000 ]- atom: 11 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ -0.0010453000000000, -0.0001896200000000, 0.0012766400000000 ] - [ 0.0005049500000000, -0.0006931600000000, 0.0008152000000000 ] - [ 0.0002070100000000, -0.0007043300000000, -0.0000255900000000 ] - [ -0.0013575200000000, 0.0002008100000000, -0.0014139600000000 ] - [ 0.0006562600000000, 0.0004743300000000, 0.0008826400000000 ] - [ 0.0006540300000000, 0.0004968100000000, 0.0008729300000000 ] - [ 0.0003587600000000, 0.0005141500000000, -0.0000104700000000 ] - [ 0.0003403000000000, 0.0004618900000000, -0.0000064200000000 ] - [ -0.0005557600000000, -0.0008782700000000, -0.0001930400000000 ] - [ -0.0006577200000000, -0.0009589700000000, -0.0001863100000000 ] - [ 0.0378467300000000, 0.0047385600000000, 0.0010003100000000 ] - [ 0.0000857200000000, -0.0008659200000000, 0.0009365000000000 ] - [ -0.0006198900000000, 0.0008333000000000, -0.0001901500000000 ] - [ -0.0006837300000000, 0.0009499900000000, -0.0001054900000000 ] - [ -0.0002321600000000, 0.0007594400000000, 0.0010203200000000 ] - [ -0.0002361000000000, 0.0007733200000000, 0.0010220600000000 ] - [ 0.0051822000000000, 0.0016807300000000, -0.0003117000000000 ] - [ 0.0034852800000000, 0.0022025100000000, -0.0002880200000000 ] - [ 0.0039956400000000, -0.0005602400000000, 0.0002638600000000 ] - [ 0.0025346300000000, -0.0002489100000000, 0.0005069800000000 ] - [ 0.0035466000000000, -0.0021999200000000, -0.0007675700000000 ] - [ 0.0035423400000000, -0.0022071000000000, -0.0007275500000000 ] - [ 0.0023461300000000, -0.0001200300000000, 0.0007272300000000 ] - [ 0.0023400600000000, -0.0001127200000000, 0.0007011300000000 ] - [ -0.0054438000000000, -0.0018493300000000, 0.0003678300000000 ] - [ -0.0048432200000000, -0.0029183300000000, 0.0010087500000000 ] - [ 0.0002124800000000, -0.0024537800000000, -0.0013277900000000 ] - [ 0.0004713300000000, -0.0024026700000000, -0.0014642100000000 ] - [ -0.0013185500000000, 0.0001788400000000, 0.0003945000000000 ] - [ -0.0013174000000000, 0.0001742600000000, 0.0004007300000000 ] - [ 0.0003806700000000, 0.0022546100000000, -0.0015788000000000 ] - [ 0.0005005500000000, 0.0023177400000000, -0.0013121800000000 ] - [ -0.0102777300000000, -0.0008823800000000, -0.0077298100000000 ] - [ -0.0050360600000000, 0.0014603800000000, -0.0039125300000000 ] - [ -0.0093050600000000, -0.0027156000000000, 0.0056333600000000 ] - [ -0.0006292200000000, 0.0006092700000000, -0.0004206100000000 ] - [ 0.0010813600000000, 0.0013407100000000, 0.0021030200000000 ] - [ 0.0010323000000000, 0.0013673100000000, 0.0023847600000000 ] - [ -0.0052679600000000, -0.0014118100000000, -0.0038576000000000 ] - [ -0.0052680400000000, -0.0014145800000000, -0.0038564900000000 ] - [ -0.0009215700000000, -0.0006227300000000, -0.0004595500000000 ] - [ -0.0009217100000000, -0.0006264500000000, -0.0004656300000000 ] - [ -0.0006001200000000, 0.0017153200000000, -0.0017809200000000 ] - [ -0.0006867300000000, 0.0015487900000000, -0.0021211000000000 ] - [ 0.0009899200000000, -0.0012974000000000, 0.0023917000000000 ] - [ 0.0010054100000000, -0.0013292500000000, 0.0023200600000000 ] - [ 0.0041365300000000, 0.0008342900000000, 0.0032892900000000 ] - [ 0.0042851500000000, 0.0001840500000000, 0.0025786100000000 ] - [ -0.0006436800000000, -0.0014968800000000, -0.0021255700000000 ] - [ -0.0006484000000000, -0.0015153500000000, -0.0021030800000000 ] - [ 0.0016585000000000, 0.0001327300000000, 0.0013217800000000 ] - [ 0.0019863400000000, -0.0001336400000000, 0.0020526300000000 ] - [ 0.0037190000000000, -0.0003079500000000, 0.0030701000000000 ] - [ 0.0037148000000000, -0.0003029200000000, 0.0030716800000000 ] - [ 0.0012699600000000, 0.0004768700000000, 0.0015821500000000 ] - [ 0.0012647500000000, 0.0004837900000000, 0.0015733000000000 ] - [ -0.0005030000000000, 0.0001664500000000, -0.0024315200000000 ] - [ -0.0121010700000000, -0.0051811000000000, -0.0038302800000000 ] - [ -0.0025788300000000, -0.0007357800000000, -0.0008441300000000 ] - [ -0.0026820300000000, -0.0007658100000000, -0.0008305500000000 ] - [ -0.0007553800000000, -0.0000971100000000, -0.0024114400000000 ] - [ -0.0007602500000000, -0.0000890500000000, -0.0024100900000000 ] - [ -0.0025524600000000, 0.0006822800000000, -0.0007769200000000 ] - [ -0.0026233800000000, 0.0007743700000000, -0.0008469400000000 ] - [ 0.0016869600000000, 0.0007473400000000, 0.0009053500000000 ] - [ 0.0016573100000000, 0.0007531700000000, 0.0008697500000000 ] - [ -0.0000328600000000, 0.0014523000000000, 0.0011700100000000 ] - [ 0.0012870400000000, 0.0002155100000000, -0.0001450700000000 ] - [ -0.0028240100000000, 0.0040581400000000, -0.0037684800000000 ] - [ 0.0010868000000000, -0.0001358400000000, 0.0000423900000000 ] - [ 0.0031567200000000, -0.0012554200000000, 0.0032140200000000 ] - [ 0.0031457800000000, -0.0011973800000000, 0.0029776800000000 ] - [ 0.0017033300000000, -0.0007112700000000, 0.0008563200000000 ] - [ 0.0016220300000000, -0.0007828100000000, 0.0008954800000000 ] - [ 0.0013978200000000, -0.0000127900000000, -0.0000361200000000 ] - [ 0.0013995900000000, -0.0000146800000000, -0.0000345400000000 ] - [ 0.0013462900000000, 0.0004661300000000, -0.0000900300000000 ] - [ 0.0013494400000000, 0.0004606700000000, -0.0000937700000000 ] - [ 0.0031598000000000, 0.0012460700000000, 0.0029920600000000 ] - [ 0.0031407200000000, 0.0012283700000000, 0.0029656000000000 ] - [ -0.0014089100000000, -0.0012901000000000, -0.0013256700000000 ] - [ -0.0013104200000000, -0.0012163400000000, -0.0012292600000000 ] - [ -0.0013702400000000, 0.0013042900000000, -0.0011810900000000 ] - [ -0.0013675100000000, 0.0012924400000000, -0.0011670900000000 ] - [ -0.0010330500000000, 0.0005364900000000, -0.0010202600000000 ] - [ -0.0021335600000000, 0.0000640900000000, 0.0009144200000000 ] - [ -0.0014340500000000, -0.0001711600000000, -0.0002981600000000 ] - [ -0.0023204800000000, -0.0002972900000000, -0.0002529300000000 ] - [ -0.0009420100000000, -0.0005085400000000, -0.0010278500000000 ] - [ -0.0009335300000000, -0.0004960100000000, -0.0010227400000000 ] - [ -0.0013906200000000, 0.0002795600000000, -0.0002836900000000 ] - [ -0.0013911700000000, 0.0003062400000000, -0.0002883900000000 ] - [ -0.0024501000000000, -0.0005099000000000, -0.0006032600000000 ] - [ -0.0023854700000000, 0.0011128100000000, -0.0003291900000000 ] - [ -0.0019979300000000, -0.0007308800000000, 0.0010418400000000 ] - [ -0.0019977100000000, -0.0007271000000000, 0.0011534200000000 ] - [ -0.0022934900000000, 0.0011861700000000, -0.0005132800000000 ] - [ -0.0022910400000000, 0.0011905100000000, -0.0005172100000000 ] - [ -0.0020322300000000, 0.0007399100000000, 0.0011056200000000 ] - [ -0.0019706800000000, 0.0007800200000000, 0.0010591800000000 ] - [ -0.0005075100000000, 0.0010218100000000, 0.0001228300000000 ] - [ -0.0004890300000000, 0.0010097200000000, 0.0002070700000000 ] - [ -0.0004982200000000, -0.0009439600000000, 0.0002573100000000 ] - [ -0.0005956500000000, -0.0009490800000000, 0.0000316800000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015625600000000, -0.0034083700000000, 0.0015696400000000 ] - [ 0.0006067200000000, 0.0007785400000000, 0.0008130500000000 ] - [ 0.0002426400000000, 0.0008697500000000, 0.0000232500000000 ] - [ 0.0007787300000000, -0.0033579900000000, -0.0000690600000000 ] - [ 0.0006704500000000, 0.0005915600000000, 0.0008631800000000 ] - [ 0.0006459100000000, 0.0003777600000000, 0.0008601700000000 ] - [ 0.0003228500000000, 0.0003954700000000, -0.0000140300000000 ] - [ 0.0003660900000000, 0.0005688000000000, -0.0000344800000000 ] - [ -0.0006357600000000, -0.0013805400000000, 0.0000726200000000 ] - [ -0.0006282900000000, -0.0005436900000000, -0.0002164400000000 ] - [ -0.0057480600000000, -0.0296802500000000, 0.0080757900000000 ] - [ -0.0001353600000000, 0.0019113500000000, 0.0009876000000000 ] - [ -0.0007098900000000, 0.0012035300000000, -0.0001962900000000 ] - [ -0.0005725400000000, 0.0005431000000000, -0.0002484200000000 ] - [ -0.0002406200000000, 0.0007960100000000, 0.0010084500000000 ] - [ -0.0002267100000000, 0.0007357900000000, 0.0010018500000000 ] - [ 0.0039951300000000, 0.0029615300000000, -0.0031264200000000 ] - [ 0.0038607100000000, 0.0028616200000000, 0.0012750500000000 ] - [ 0.0026333700000000, 0.0008817900000000, 0.0027449300000000 ] - [ 0.0023082300000000, 0.0011733600000000, -0.0008197300000000 ] - [ 0.0035395500000000, -0.0021985400000000, -0.0006999100000000 ] - [ 0.0035522900000000, -0.0021988100000000, -0.0008301000000000 ] - [ 0.0023251100000000, -0.0001074300000000, 0.0006354500000000 ] - [ 0.0023522700000000, -0.0001119600000000, 0.0007524800000000 ] - [ -0.0018008400000000, 0.0019399100000000, 0.0001986200000000 ] - [ -0.0038846300000000, 0.0028992400000000, -0.0000356900000000 ] - [ 0.0004359100000000, -0.0023118900000000, -0.0017603000000000 ] - [ 0.0003229000000000, -0.0023676900000000, -0.0010438000000000 ] - [ -0.0013130900000000, 0.0001795500000000, 0.0003757800000000 ] - [ -0.0013222200000000, 0.0001771300000000, 0.0003716700000000 ] - [ 0.0004962400000000, 0.0024987400000000, -0.0010269800000000 ] - [ 0.0003377300000000, 0.0024966200000000, -0.0017729000000000 ] - [ -0.0024588300000000, 0.0031377300000000, -0.0022055200000000 ] - [ -0.0052163300000000, 0.0005936000000000, -0.0032804800000000 ] - [ 0.0028082400000000, 0.0023389600000000, -0.0026782100000000 ] - [ -0.0007683300000000, -0.0004199200000000, -0.0009893900000000 ] - [ 0.0010152700000000, 0.0014989600000000, 0.0025942300000000 ] - [ 0.0010351000000000, 0.0011408900000000, 0.0022142600000000 ] - [ -0.0052698900000000, -0.0014208200000000, -0.0038433300000000 ] - [ -0.0052673900000000, -0.0014035600000000, -0.0038512700000000 ] - [ -0.0009237000000000, -0.0006340200000000, -0.0004595100000000 ] - [ -0.0009214600000000, -0.0006163400000000, -0.0004484000000000 ] - [ -0.0007720300000000, 0.0014756900000000, -0.0024560000000000 ] - [ -0.0005147300000000, 0.0014244100000000, -0.0019015400000000 ] - [ 0.0010353200000000, -0.0013703500000000, 0.0022888200000000 ] - [ 0.0009843900000000, -0.0012637500000000, 0.0024676400000000 ] - [ 0.0037784300000000, -0.0005615700000000, 0.0023590400000000 ] - [ 0.0038496600000000, 0.0006939000000000, 0.0040546000000000 ] - [ -0.0006552200000000, -0.0015579400000000, -0.0020000700000000 ] - [ -0.0006325700000000, -0.0014581400000000, -0.0021981600000000 ] - [ 0.0012252800000000, -0.0011129600000000, 0.0021413100000000 ] - [ 0.0015264900000000, -0.0002820700000000, 0.0005935400000000 ] - [ 0.0037081800000000, -0.0003037300000000, 0.0030970100000000 ] - [ 0.0037220600000000, -0.0003141900000000, 0.0030677800000000 ] - [ 0.0012600300000000, 0.0004897100000000, 0.0015694300000000 ] - [ 0.0012762800000000, 0.0004747200000000, 0.0016030400000000 ] - [ -0.0012130100000000, -0.0011383300000000, -0.0021957100000000 ] - [ 0.0061426600000000, 0.0039552600000000, -0.0021153500000000 ] - [ -0.0026901300000000, -0.0008887800000000, -0.0008077600000000 ] - [ -0.0025441200000000, -0.0005698600000000, -0.0008200700000000 ] - [ -0.0007661500000000, -0.0000759600000000, -0.0024018000000000 ] - [ -0.0007485100000000, -0.0001063400000000, -0.0024082500000000 ] - [ -0.0026736600000000, 0.0008416700000000, -0.0009212200000000 ] - [ -0.0025352600000000, 0.0006142300000000, -0.0007228900000000 ] - [ 0.0016237100000000, 0.0008392200000000, 0.0010206900000000 ] - [ 0.0017046900000000, 0.0006717300000000, 0.0007681900000000 ] - [ 0.0000630700000000, 0.0030228200000000, 0.0011970000000000 ] - [ 0.0015791900000000, -0.0007090200000000, 0.0003567100000000 ] - [ -0.0032913800000000, 0.0053434500000000, -0.0042384000000000 ] - [ 0.0014678600000000, -0.0013133800000000, -0.0003980400000000 ] - [ 0.0032287300000000, -0.0009906000000000, 0.0033846500000000 ] - [ 0.0030440900000000, -0.0014103400000000, 0.0028139900000000 ] - [ 0.0016203000000000, -0.0008543800000000, 0.0008235700000000 ] - [ 0.0016442600000000, -0.0005797900000000, 0.0008921000000000 ] - [ 0.0014056300000000, -0.0000212900000000, -0.0000252100000000 ] - [ 0.0013968900000000, -0.0000022300000000, -0.0000276700000000 ] - [ 0.0013498500000000, 0.0004515700000000, -0.0000917600000000 ] - [ 0.0013426300000000, 0.0004756700000000, -0.0000778200000000 ] - [ 0.0031056500000000, 0.0011985200000000, 0.0029329500000000 ] - [ 0.0031944900000000, 0.0012707400000000, 0.0030437800000000 ] - [ -0.0013583800000000, -0.0006764900000000, -0.0014701600000000 ] - [ -0.0015067900000000, -0.0016442900000000, -0.0009573100000000 ] - [ -0.0013549400000000, 0.0012554300000000, -0.0011519400000000 ] - [ -0.0013844800000000, 0.0013352000000000, -0.0011978000000000 ] - [ -0.0007538300000000, -0.0002764800000000, -0.0009984200000000 ] - [ -0.0006539800000000, 0.0037180500000000, -0.0067137300000000 ] - [ -0.0012988700000000, -0.0010521000000000, -0.0001464100000000 ] - [ -0.0016509300000000, 0.0015452900000000, -0.0002778300000000 ] - [ -0.0009270400000000, -0.0004690600000000, -0.0010002700000000 ] - [ -0.0009477200000000, -0.0005273500000000, -0.0010306400000000 ] - [ -0.0013906200000000, 0.0003358100000000, -0.0002906700000000 ] - [ -0.0013926100000000, 0.0002540100000000, -0.0002661900000000 ] - [ -0.0028542300000000, -0.0029417600000000, -0.0003123500000000 ] - [ -0.0035249100000000, 0.0072001100000000, 0.0001722700000000 ] - [ -0.0020408200000000, -0.0009074600000000, 0.0013618500000000 ] - [ -0.0019270600000000, -0.0006539300000000, 0.0008119500000000 ] - [ -0.0022870900000000, 0.0011936100000000, -0.0005121900000000 ] - [ -0.0022957700000000, 0.0011833300000000, -0.0005059000000000 ] - [ -0.0019296000000000, 0.0007891900000000, 0.0009954000000000 ] - [ -0.0020564400000000, 0.0007112800000000, 0.0011515500000000 ] - [ -0.0004440400000000, 0.0010277600000000, 0.0002891500000000 ] - [ -0.0005218600000000, 0.0009652100000000, 0.0001314600000000 ] - [ -0.0005013300000000, -0.0011618300000000, -0.0000695000000000 ] - [ -0.0004097800000000, -0.0009512800000000, 0.0005321600000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002438500000000, 0.0024298700000000, 0.0001793900000000 ] - [ 0.0007092900000000, -0.0017627000000000, 0.0009418700000000 ] - [ 0.0004485100000000, -0.0018437500000000, -0.0000504700000000 ] - [ -0.0000834000000000, 0.0023925200000000, 0.0000468000000000 ] - [ 0.0006465500000000, 0.0003901400000000, 0.0008891500000000 ] - [ 0.0006711000000000, 0.0006040300000000, 0.0008925100000000 ] - [ 0.0003698100000000, 0.0005756700000000, -0.0000114600000000 ] - [ 0.0003265100000000, 0.0004021300000000, 0.0000092700000000 ] - [ -0.0006590400000000, -0.0004309100000000, -0.0004576300000000 ] - [ -0.0006667000000000, -0.0012674600000000, -0.0001726900000000 ] - [ 0.0053972300000000, 0.0283630900000000, -0.0059766400000000 ] - [ -0.0003359700000000, -0.0034405400000000, 0.0010465800000000 ] - [ -0.0005850500000000, 0.0006072600000000, -0.0001912000000000 ] - [ -0.0007225700000000, 0.0012680300000000, -0.0001400900000000 ] - [ -0.0002271800000000, 0.0007361300000000, 0.0010245000000000 ] - [ -0.0002411300000000, 0.0007964600000000, 0.0010310900000000 ] - [ 0.0031009200000000, 0.0014416800000000, 0.0016102000000000 ] - [ 0.0032311000000000, 0.0015433400000000, -0.0027930800000000 ] - [ 0.0020483200000000, -0.0006571200000000, -0.0013286700000000 ] - [ 0.0023674800000000, -0.0009434600000000, 0.0022380000000000 ] - [ 0.0035535200000000, -0.0022051300000000, -0.0008057900000000 ] - [ 0.0035407600000000, -0.0022046400000000, -0.0006754800000000 ] - [ 0.0023531200000000, -0.0001182000000000, 0.0007744000000000 ] - [ 0.0023259400000000, -0.0001132900000000, 0.0006573200000000 ] - [ -0.0008232800000000, -0.0023104000000000, 0.0005838800000000 ] - [ 0.0012586700000000, -0.0032591500000000, 0.0008163800000000 ] - [ 0.0004115300000000, -0.0024815000000000, -0.0010319700000000 ] - [ 0.0005241200000000, -0.0024217900000000, -0.0017494900000000 ] - [ -0.0013233600000000, 0.0001736600000000, 0.0004050900000000 ] - [ -0.0013142800000000, 0.0001761100000000, 0.0004092300000000 ] - [ 0.0003512900000000, 0.0022924900000000, -0.0017660500000000 ] - [ 0.0005104700000000, 0.0022974400000000, -0.0010195400000000 ] - [ -0.0080387900000000, -0.0003067600000000, -0.0054740300000000 ] - [ -0.0053225600000000, 0.0022341600000000, -0.0044284200000000 ] - [ -0.0046230800000000, -0.0011015500000000, 0.0017416000000000 ] - [ -0.0010738200000000, 0.0016668800000000, 0.0000683800000000 ] - [ 0.0010022200000000, 0.0011388900000000, 0.0021346000000000 ] - [ 0.0009822200000000, 0.0014963700000000, 0.0025161400000000 ] - [ -0.0052684700000000, -0.0014054300000000, -0.0038636400000000 ] - [ -0.0052710200000000, -0.0014228000000000, -0.0038557400000000 ] - [ -0.0009204600000000, -0.0006154600000000, -0.0004602900000000 ] - [ -0.0009227000000000, -0.0006332500000000, -0.0004713300000000 ] - [ -0.0005145100000000, 0.0015378800000000, -0.0017532300000000 ] - [ -0.0007719100000000, 0.0015874800000000, -0.0023099900000000 ] - [ 0.0009823900000000, -0.0012664400000000, 0.0024406300000000 ] - [ 0.0010334600000000, -0.0013732200000000, 0.0022618000000000 ] - [ 0.0036483300000000, 0.0011804700000000, 0.0037897600000000 ] - [ 0.0035779600000000, -0.0000844600000000, 0.0020883200000000 ] - [ -0.0006311700000000, -0.0014539600000000, -0.0022101100000000 ] - [ -0.0006539200000000, -0.0015539200000000, -0.0020116400000000 ] - [ 0.0013035800000000, 0.0001590800000000, 0.0010185100000000 ] - [ 0.0010036000000000, -0.0006819200000000, 0.0025734600000000 ] - [ 0.0037227600000000, -0.0003080800000000, 0.0030513500000000 ] - [ 0.0037088400000000, -0.0002976800000000, 0.0030807300000000 ] - [ 0.0012746500000000, 0.0004717400000000, 0.0015920900000000 ] - [ 0.0012584300000000, 0.0004866700000000, 0.0015584800000000 ] - [ -0.0003001800000000, 0.0013269100000000, -0.0026219000000000 ] - [ -0.0077730700000000, -0.0037874400000000, -0.0027147500000000 ] - [ -0.0025152100000000, -0.0005784100000000, -0.0008314300000000 ] - [ -0.0026630400000000, -0.0008997000000000, -0.0008201300000000 ] - [ -0.0007489600000000, -0.0001097700000000, -0.0024158700000000 ] - [ -0.0007666000000000, -0.0000794300000000, -0.0024095000000000 ] - [ -0.0025319600000000, 0.0006265700000000, -0.0007186000000000 ] - [ -0.0026703500000000, 0.0008538400000000, -0.0009172300000000 ] - [ 0.0017040000000000, 0.0006446700000000, 0.0006957200000000 ] - [ 0.0016232500000000, 0.0008119900000000, 0.0009485400000000 ] - [ 0.0026603500000000, -0.0029095500000000, -0.0011933200000000 ] - [ 0.0012215400000000, 0.0007360900000000, -0.0004246700000000 ] - [ 0.0058502200000000, -0.0061560800000000, 0.0039381000000000 ] - [ 0.0012287000000000, 0.0003874800000000, 0.0002191700000000 ] - [ 0.0030580100000000, -0.0014749100000000, 0.0025755700000000 ] - [ 0.0032432500000000, -0.0010553300000000, 0.0031465200000000 ] - [ 0.0017078900000000, -0.0006284500000000, 0.0008921600000000 ] - [ 0.0016827000000000, -0.0009043600000000, 0.0008248800000000 ] - [ 0.0013944500000000, -0.0000051400000000, -0.0000403400000000 ] - [ 0.0014031300000000, -0.0000243200000000, -0.0000379000000000 ] - [ 0.0013455700000000, 0.0004758000000000, -0.0000886800000000 ] - [ 0.0013527700000000, 0.0004516200000000, -0.0001025400000000 ] - [ 0.0031810700000000, 0.0012677500000000, 0.0030262500000000 ] - [ 0.0030922300000000, 0.0011954000000000, 0.0029155300000000 ] - [ -0.0013777400000000, -0.0019209400000000, -0.0008777600000000 ] - [ -0.0012294600000000, -0.0009530200000000, -0.0013909800000000 ] - [ -0.0013812800000000, 0.0013427100000000, -0.0011949500000000 ] - [ -0.0013517700000000, 0.0012625300000000, -0.0011495200000000 ] - [ -0.0011171900000000, 0.0012799700000000, -0.0010484900000000 ] - [ -0.0012279000000000, -0.0027108300000000, 0.0047244500000000 ] - [ -0.0014838900000000, 0.0004651000000000, -0.0004192300000000 ] - [ -0.0011340800000000, -0.0021402400000000, -0.0003042800000000 ] - [ -0.0009441500000000, -0.0005324700000000, -0.0010442700000000 ] - [ -0.0009234700000000, -0.0004741800000000, -0.0010137800000000 ] - [ -0.0013925300000000, 0.0002523100000000, -0.0002772400000000 ] - [ -0.0013905600000000, 0.0003341000000000, -0.0003018000000000 ] - [ -0.0017453900000000, 0.0005464500000000, -0.0007132300000000 ] - [ -0.0009056800000000, -0.0099584400000000, -0.0012386900000000 ] - [ -0.0019336000000000, -0.0006147300000000, 0.0007891600000000 ] - [ -0.0020457000000000, -0.0008706100000000, 0.0013393000000000 ] - [ -0.0022977500000000, 0.0011831900000000, -0.0005153200000000 ] - [ -0.0022889700000000, 0.0011934500000000, -0.0005216500000000 ] - [ -0.0020444800000000, 0.0007339700000000, 0.0011554100000000 ] - [ -0.0019177500000000, 0.0008115000000000, 0.0009989700000000 ] - [ -0.0005384300000000, 0.0009709600000000, 0.0001053200000000 ] - [ -0.0004608300000000, 0.0010330000000000, 0.0002635000000000 ] - [ -0.0004813800000000, -0.0008358700000000, 0.0004641200000000 ] - [ -0.0005722600000000, -0.0010478200000000, -0.0001374500000000 ]- atom: 11 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ -0.0011367900000000, -0.0000693100000000, 0.0022055200000000 ] - [ 0.0006272900000000, -0.0004703600000000, 0.0003991700000000 ] - [ 0.0002930400000000, -0.0006852300000000, -0.0005413100000000 ] - [ 0.0018566100000000, 0.0001402700000000, 0.0007047900000000 ] - [ 0.0006557600000000, 0.0004646300000000, 0.0015052100000000 ] - [ 0.0006788800000000, 0.0004614300000000, 0.0016046100000000 ] - [ 0.0003325400000000, 0.0005360000000000, 0.0006472400000000 ] - [ 0.0003267200000000, 0.0004923200000000, 0.0005691200000000 ] - [ -0.0006433900000000, -0.0010861700000000, 0.0014048400000000 ] - [ -0.0006361400000000, -0.0008957600000000, 0.0000117300000000 ] - [ 0.0011691300000000, 0.0064380400000000, -0.0350302800000000 ] - [ -0.0001420400000000, -0.0007981000000000, -0.0002178700000000 ] - [ -0.0006390700000000, 0.0008551800000000, 0.0001734900000000 ] - [ -0.0006291400000000, 0.0008901700000000, 0.0006906500000000 ] - [ -0.0002374500000000, 0.0007744200000000, 0.0015744300000000 ] - [ -0.0002393600000000, 0.0007815500000000, 0.0016159800000000 ] - [ 0.0031656800000000, 0.0000521500000000, 0.0001577600000000 ] - [ 0.0030402900000000, 0.0040809400000000, -0.0014789500000000 ] - [ 0.0027940100000000, 0.0020162500000000, 0.0012952900000000 ] - [ 0.0034119800000000, -0.0024433500000000, 0.0006507600000000 ] - [ 0.0035574800000000, -0.0021626400000000, -0.0001356500000000 ] - [ 0.0035814700000000, -0.0022481100000000, -0.0001050500000000 ] - [ 0.0023614200000000, -0.0001412400000000, 0.0013717300000000 ] - [ 0.0023352300000000, -0.0000176500000000, 0.0013916000000000 ] - [ -0.0014703200000000, -0.0005097600000000, -0.0061704900000000 ] - [ -0.0014960200000000, 0.0003314000000000, -0.0018352100000000 ] - [ 0.0005110500000000, -0.0029435600000000, -0.0004709800000000 ] - [ 0.0002716000000000, -0.0016974400000000, -0.0007459000000000 ] - [ -0.0013280900000000, 0.0001771100000000, 0.0012261600000000 ] - [ -0.0013220700000000, 0.0001760400000000, 0.0012348300000000 ] - [ 0.0005019300000000, 0.0027867300000000, -0.0006606700000000 ] - [ 0.0003534800000000, 0.0017763600000000, -0.0004672300000000 ] - [ -0.0009857600000000, 0.0029111200000000, 0.0013213900000000 ] - [ -0.0052196100000000, 0.0013492000000000, -0.0030105600000000 ] - [ -0.0073633500000000, -0.0012049400000000, 0.0052759100000000 ] - [ -0.0009914100000000, 0.0006494500000000, 0.0000505400000000 ] - [ 0.0011430300000000, 0.0016642100000000, 0.0019042300000000 ] - [ 0.0010496400000000, 0.0012089000000000, 0.0023894000000000 ] - [ -0.0052811200000000, -0.0014422400000000, -0.0041526200000000 ] - [ -0.0052875100000000, -0.0014518400000000, -0.0041751700000000 ] - [ -0.0009009600000000, -0.0005873500000000, -0.0007105300000000 ] - [ -0.0008966700000000, -0.0005765000000000, -0.0007363300000000 ] - [ -0.0005884600000000, 0.0010304800000000, -0.0026557400000000 ] - [ -0.0008091100000000, 0.0016986500000000, -0.0021656200000000 ] - [ 0.0010288300000000, -0.0013980500000000, 0.0021080300000000 ] - [ 0.0010021800000000, -0.0013668700000000, 0.0019955300000000 ] - [ 0.0037202500000000, -0.0001634400000000, 0.0036085900000000 ] - [ 0.0034655100000000, 0.0011278800000000, 0.0044995100000000 ] - [ -0.0006692300000000, -0.0012850400000000, -0.0025001500000000 ] - [ -0.0006968100000000, -0.0013937500000000, -0.0025475100000000 ] - [ 0.0013741500000000, 0.0001722200000000, 0.0018772600000000 ] - [ 0.0014292200000000, -0.0009068600000000, 0.0024189800000000 ] - [ 0.0037610700000000, -0.0001564200000000, 0.0026934500000000 ] - [ 0.0037722400000000, -0.0001882800000000, 0.0027146200000000 ] - [ 0.0012416900000000, 0.0003954300000000, 0.0012764600000000 ] - [ 0.0012311800000000, 0.0004279500000000, 0.0012883100000000 ] - [ -0.0007586900000000, 0.0001435800000000, -0.0019081800000000 ] - [ 0.0003342000000000, -0.0000576300000000, -0.0017403100000000 ] - [ -0.0025591500000000, -0.0005536700000000, -0.0008353300000000 ] - [ -0.0029438900000000, -0.0012772100000000, -0.0013004400000000 ] - [ -0.0007592400000000, -0.0001454600000000, -0.0026124200000000 ] - [ -0.0007620900000000, -0.0001364100000000, -0.0026036300000000 ] - [ -0.0025506600000000, 0.0007743800000000, -0.0011017300000000 ] - [ -0.0026697300000000, 0.0009494200000000, -0.0010738500000000 ] - [ 0.0016636600000000, 0.0006722800000000, 0.0005036100000000 ] - [ 0.0017571200000000, 0.0005942400000000, 0.0005935600000000 ] - [ 0.0005356500000000, 0.0011741700000000, 0.0038360300000000 ] - [ 0.0016728100000000, 0.0002241000000000, 0.0007707700000000 ] - [ 0.0041946300000000, -0.0039906200000000, 0.0049412600000000 ] - [ 0.0012084300000000, -0.0005860500000000, 0.0004148900000000 ] - [ 0.0028498600000000, -0.0009721800000000, 0.0025736400000000 ] - [ 0.0031353000000000, -0.0013600900000000, 0.0029892000000000 ] - [ 0.0016538800000000, -0.0008266400000000, 0.0008086700000000 ] - [ 0.0019013200000000, -0.0004123400000000, 0.0002921300000000 ] - [ 0.0013162700000000, -0.0000514600000000, -0.0003287300000000 ] - [ 0.0013101900000000, -0.0000636200000000, -0.0003584300000000 ] - [ 0.0014253100000000, 0.0004836100000000, -0.0003390500000000 ] - [ 0.0014288900000000, 0.0004894100000000, -0.0003671100000000 ] - [ 0.0030442700000000, 0.0011932500000000, 0.0027419700000000 ] - [ 0.0030333500000000, 0.0012265800000000, 0.0026133100000000 ] - [ -0.0014326900000000, -0.0015957100000000, -0.0018025500000000 ] - [ -0.0012128400000000, -0.0010532800000000, -0.0012811200000000 ] - [ -0.0013971000000000, 0.0012482200000000, -0.0014592700000000 ] - [ -0.0013967100000000, 0.0011288500000000, -0.0016348300000000 ] - [ -0.0009767300000000, 0.0000772300000000, -0.0005171400000000 ] - [ -0.0030489800000000, -0.0044931200000000, 0.0146331000000000 ] - [ -0.0014216700000000, -0.0000476300000000, 0.0000251600000000 ] - [ -0.0018996200000000, -0.0008042400000000, -0.0002106100000000 ] - [ -0.0008777000000000, -0.0005756000000000, -0.0013454000000000 ] - [ -0.0008910200000000, -0.0005895900000000, -0.0013190200000000 ] - [ -0.0014034300000000, 0.0002863300000000, -0.0006140100000000 ] - [ -0.0013935700000000, 0.0003179800000000, -0.0005802200000000 ] - [ -0.0021220700000000, -0.0009011000000000, 0.0003629900000000 ] - [ -0.0022599800000000, -0.0003299300000000, 0.0006233400000000 ] - [ -0.0019743900000000, -0.0005570800000000, 0.0008859100000000 ] - [ -0.0015153800000000, -0.0012039000000000, 0.0007831900000000 ] - [ -0.0023232300000000, 0.0012063900000000, -0.0007526800000000 ] - [ -0.0023211600000000, 0.0012089800000000, -0.0007504500000000 ] - [ -0.0019485100000000, 0.0006432700000000, 0.0007984200000000 ] - [ -0.0018105200000000, 0.0008567600000000, 0.0008292400000000 ] - [ -0.0004896600000000, 0.0011150000000000, -0.0001836100000000 ] - [ -0.0005554700000000, 0.0009343900000000, -0.0000766500000000 ] - [ -0.0004896400000000, -0.0011643200000000, 0.0000191200000000 ] - [ -0.0007343400000000, -0.0007757100000000, -0.0002860400000000 ]- atom: 11 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0024403300000000, -0.0009037800000000, -0.0004482700000000 ] - [ 0.0006886000000000, -0.0005117200000000, 0.0013498700000000 ] - [ 0.0003985000000000, -0.0002858500000000, 0.0005187800000000 ] - [ -0.0011819200000000, -0.0011070300000000, -0.0007285100000000 ] - [ 0.0006614400000000, 0.0005169800000000, 0.0002472500000000 ] - [ 0.0006377700000000, 0.0005203700000000, 0.0001479600000000 ] - [ 0.0003603600000000, 0.0004352100000000, -0.0006722900000000 ] - [ 0.0003660900000000, 0.0004787400000000, -0.0005943400000000 ] - [ -0.0006516800000000, -0.0007234500000000, -0.0017948300000000 ] - [ -0.0006587800000000, -0.0009145400000000, -0.0003974600000000 ] - [ -0.0016593800000000, -0.0079975800000000, 0.0366606500000000 ] - [ -0.0003229800000000, -0.0007315400000000, 0.0022472400000000 ] - [ -0.0006559500000000, 0.0009552500000000, -0.0005609200000000 ] - [ -0.0006660700000000, 0.0009195700000000, -0.0010764400000000 ] - [ -0.0002303400000000, 0.0007580500000000, 0.0004578200000000 ] - [ -0.0002284800000000, 0.0007510400000000, 0.0004162200000000 ] - [ 0.0039303900000000, 0.0043682700000000, -0.0016677900000000 ] - [ 0.0040577900000000, 0.0003133900000000, -0.0000190800000000 ] - [ 0.0018877600000000, -0.0017777900000000, 0.0001162200000000 ] - [ 0.0012701600000000, 0.0026576700000000, 0.0007609600000000 ] - [ 0.0035357700000000, -0.0022416800000000, -0.0013692700000000 ] - [ 0.0035118400000000, -0.0021564700000000, -0.0013998900000000 ] - [ 0.0023168500000000, -0.0000837900000000, 0.0000380900000000 ] - [ 0.0023431400000000, -0.0002077900000000, 0.0000181800000000 ] - [ -0.0011711000000000, 0.0001627300000000, 0.0069433500000000 ] - [ -0.0011478100000000, -0.0006679500000000, 0.0026048900000000 ] - [ 0.0003359900000000, -0.0018460100000000, -0.0023223000000000 ] - [ 0.0005763600000000, -0.0030961500000000, -0.0020458400000000 ] - [ -0.0013089700000000, 0.0001745800000000, -0.0004451400000000 ] - [ -0.0013149900000000, 0.0001754800000000, -0.0004538400000000 ] - [ 0.0003458600000000, 0.0020065700000000, -0.0021327000000000 ] - [ 0.0004949500000000, 0.0030147400000000, -0.0023256600000000 ] - [ -0.0094537900000000, -0.0000391000000000, -0.0089834200000000 ] - [ -0.0053176600000000, 0.0014774500000000, -0.0046949600000000 ] - [ 0.0056716900000000, 0.0025138500000000, -0.0062582800000000 ] - [ -0.0008510400000000, 0.0005978100000000, -0.0009720700000000 ] - [ 0.0008739100000000, 0.0009719100000000, 0.0028249200000000 ] - [ 0.0009689400000000, 0.0014300000000000, 0.0023371900000000 ] - [ -0.0052557400000000, -0.0013854200000000, -0.0035573600000000 ] - [ -0.0052493700000000, -0.0013757600000000, -0.0035347500000000 ] - [ -0.0009423600000000, -0.0006633800000000, -0.0002078000000000 ] - [ -0.0009466500000000, -0.0006741800000000, -0.0001820600000000 ] - [ -0.0006967800000000, 0.0019820200000000, -0.0015537700000000 ] - [ -0.0004777400000000, 0.0013164800000000, -0.0020429000000000 ] - [ 0.0009903200000000, -0.0012400800000000, 0.0026197900000000 ] - [ 0.0010168100000000, -0.0012711200000000, 0.0027318100000000 ] - [ 0.0037095800000000, 0.0007752800000000, 0.0025372700000000 ] - [ 0.0039649900000000, -0.0005125100000000, 0.0016513400000000 ] - [ -0.0006163800000000, -0.0017288800000000, -0.0017085900000000 ] - [ -0.0005886800000000, -0.0016198200000000, -0.0016608600000000 ] - [ 0.0011560000000000, -0.0011310400000000, 0.0012843600000000 ] - [ 0.0011039400000000, -0.0000547800000000, 0.0007387000000000 ] - [ 0.0036707100000000, -0.0004536900000000, 0.0034518200000000 ] - [ 0.0036594700000000, -0.0004217600000000, 0.0034307100000000 ] - [ 0.0012930100000000, 0.0005671800000000, 0.0018864700000000 ] - [ 0.0013035000000000, 0.0005348000000000, 0.0018747200000000 ] - [ -0.0007581800000000, 0.0000388800000000, -0.0029079000000000 ] - [ -0.0018269800000000, 0.0002484500000000, -0.0030608400000000 ] - [ -0.0026480100000000, -0.0009173900000000, -0.0008067700000000 ] - [ -0.0022618700000000, -0.0001914400000000, -0.0003402100000000 ] - [ -0.0007575900000000, -0.0000387100000000, -0.0022046800000000 ] - [ -0.0007547900000000, -0.0000477000000000, -0.0022134800000000 ] - [ -0.0026560700000000, 0.0006954300000000, -0.0005397900000000 ] - [ -0.0025374400000000, 0.0005207700000000, -0.0005675100000000 ] - [ 0.0016626300000000, 0.0008130900000000, 0.0012139000000000 ] - [ 0.0015689300000000, 0.0008913500000000, 0.0011238300000000 ] - [ 0.0022184900000000, -0.0010939600000000, -0.0038582800000000 ] - [ 0.0011275900000000, -0.0001943100000000, -0.0008345800000000 ] - [ -0.0015748700000000, 0.0031474300000000, -0.0051622900000000 ] - [ 0.0014858500000000, -0.0003411500000000, -0.0005955600000000 ] - [ 0.0034370700000000, -0.0014942500000000, 0.0033844100000000 ] - [ 0.0031494100000000, -0.0011037700000000, 0.0029673200000000 ] - [ 0.0016723300000000, -0.0006594000000000, 0.0009097100000000 ] - [ 0.0014245800000000, -0.0010728600000000, 0.0014258900000000 ] - [ 0.0014817100000000, 0.0000231100000000, 0.0002603100000000 ] - [ 0.0014877900000000, 0.0000353100000000, 0.0002901000000000 ] - [ 0.0012688400000000, 0.0004423000000000, 0.0001603400000000 ] - [ 0.0012652100000000, 0.0004365400000000, 0.0001884000000000 ] - [ 0.0032405100000000, 0.0012715900000000, 0.0032156100000000 ] - [ 0.0032515300000000, 0.0012384600000000, 0.0033440100000000 ] - [ -0.0013036600000000, -0.0010036100000000, -0.0005474300000000 ] - [ -0.0015234000000000, -0.0015424600000000, -0.0010655500000000 ] - [ -0.0013400200000000, 0.0013484600000000, -0.0008880900000000 ] - [ -0.0013404200000000, 0.0014681600000000, -0.0007119800000000 ] - [ -0.0008959100000000, 0.0009219200000000, -0.0015278300000000 ] - [ 0.0010751000000000, 0.0052388500000000, -0.0161037300000000 ] - [ -0.0013611000000000, -0.0005411200000000, -0.0005940700000000 ] - [ -0.0008810500000000, 0.0001908200000000, -0.0004995300000000 ] - [ -0.0009944300000000, -0.0004248000000000, -0.0007010900000000 ] - [ -0.0009810500000000, -0.0004107500000000, -0.0007275200000000 ] - [ -0.0013793100000000, 0.0003019500000000, 0.0000459200000000 ] - [ -0.0013891300000000, 0.0002703600000000, 0.0000122200000000 ] - [ -0.0024590800000000, -0.0014765200000000, -0.0013899700000000 ] - [ -0.0023249400000000, -0.0020345200000000, -0.0016424700000000 ] - [ -0.0019969800000000, -0.0009677000000000, 0.0012634100000000 ] - [ -0.0024576500000000, -0.0003188800000000, 0.0013669000000000 ] - [ -0.0022598300000000, 0.0011718100000000, -0.0002745000000000 ] - [ -0.0022618600000000, 0.0011692600000000, -0.0002767500000000 ] - [ -0.0020237500000000, 0.0008808200000000, 0.0013511900000000 ] - [ -0.0021613500000000, 0.0006680200000000, 0.0013204700000000 ] - [ -0.0004913900000000, 0.0008846200000000, 0.0005804100000000 ] - [ -0.0004254300000000, 0.0010657900000000, 0.0004731600000000 ] - [ -0.0004910700000000, -0.0008357600000000, 0.0003781600000000 ] - [ -0.0002471900000000, -0.0012232400000000, 0.0006815600000000 ]- atom: 17 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0008392300000000, -0.0004662500000000, 0.0008670600000000 ] - [ 0.0006258400000000, -0.0004177500000000, 0.0009420300000000 ] - [ 0.0019760900000000, 0.0007094900000000, -0.0006051300000000 ] - [ 0.0025530100000000, 0.0002556500000000, -0.0001958400000000 ] - [ 0.0006247100000000, 0.0005501500000000, 0.0008636700000000 ] - [ 0.0007243700000000, 0.0006051000000000, 0.0010463400000000 ] - [ 0.0003463900000000, 0.0004815300000000, 0.0000128200000000 ] - [ 0.0003477500000000, 0.0004934500000000, 0.0000114500000000 ] - [ -0.0022733900000000, -0.0002514900000000, 0.0002821600000000 ] - [ -0.0010558300000000, -0.0004679600000000, 0.0001447000000000 ] - [ -0.0018695000000000, -0.0003205500000000, 0.0005751600000000 ] - [ -0.0001711300000000, -0.0004552000000000, 0.0005068700000000 ] - [ -0.0006520300000000, 0.0009144300000000, -0.0001614100000000 ] - [ -0.0006468700000000, 0.0009056100000000, -0.0001877700000000 ] - [ -0.0002337100000000, 0.0007743500000000, 0.0010261300000000 ] - [ -0.0002294800000000, 0.0007616300000000, 0.0010501500000000 ] - [ -0.0326898100000000, -0.0033048700000000, -0.0010210900000000 ] - [ 0.0033217500000000, 0.0020734100000000, -0.0007642300000000 ] - [ 0.0021135300000000, 0.0000531800000000, 0.0008962200000000 ] - [ 0.0023497900000000, 0.0001483000000000, 0.0006918200000000 ] - [ 0.0035484600000000, -0.0022081000000000, -0.0007257800000000 ] - [ 0.0035464200000000, -0.0021991300000000, -0.0007283800000000 ] - [ 0.0023332400000000, -0.0001258600000000, 0.0006119700000000 ] - [ 0.0023169000000000, -0.0000660800000000, 0.0007494300000000 ] - [ 0.0012609800000000, -0.0011657500000000, 0.0024716100000000 ] - [ -0.0011797800000000, -0.0000697300000000, 0.0002614700000000 ] - [ 0.0037159100000000, -0.0027654600000000, -0.0014845500000000 ] - [ 0.0005955900000000, -0.0022930300000000, -0.0012620500000000 ] - [ -0.0013377600000000, 0.0001452300000000, 0.0004232400000000 ] - [ -0.0013121500000000, 0.0001940900000000, 0.0004286200000000 ] - [ 0.0004296100000000, 0.0023912700000000, -0.0013355600000000 ] - [ 0.0004274200000000, 0.0024097500000000, -0.0013736200000000 ] - [ -0.0051885000000000, 0.0014333500000000, -0.0042889700000000 ] - [ -0.0052884300000000, 0.0013675900000000, -0.0038201300000000 ] - [ 0.0017362800000000, -0.0020720600000000, 0.0016661300000000 ] - [ -0.0007668000000000, 0.0005755700000000, -0.0003757200000000 ] - [ 0.0027772900000000, -0.0006955300000000, 0.0011164100000000 ] - [ 0.0010897200000000, 0.0012931800000000, 0.0023148500000000 ] - [ -0.0052742400000000, -0.0014112300000000, -0.0038532600000000 ] - [ -0.0052805400000000, -0.0014255300000000, -0.0038816500000000 ] - [ -0.0009212200000000, -0.0006224800000000, -0.0004673400000000 ] - [ -0.0009196600000000, -0.0006245700000000, -0.0004717100000000 ] - [ -0.0006582000000000, 0.0014862900000000, -0.0021531100000000 ] - [ -0.0006377400000000, 0.0014886600000000, -0.0021201500000000 ] - [ 0.0010110300000000, -0.0013229600000000, 0.0023463100000000 ] - [ 0.0010110400000000, -0.0013211800000000, 0.0023555000000000 ] - [ 0.0037890400000000, 0.0002274500000000, 0.0030584500000000 ] - [ 0.0036931600000000, 0.0003268600000000, 0.0031365600000000 ] - [ -0.0006703300000000, -0.0014609700000000, -0.0021859400000000 ] - [ -0.0006640300000000, -0.0015056500000000, -0.0021447500000000 ] - [ 0.0184540900000000, 0.0053766000000000, 0.0031713100000000 ] - [ 0.0012146600000000, -0.0005997300000000, 0.0016433100000000 ] - [ 0.0036907100000000, -0.0002671200000000, 0.0030331600000000 ] - [ 0.0037264300000000, -0.0003219300000000, 0.0030708800000000 ] - [ 0.0012655100000000, 0.0004812600000000, 0.0015711100000000 ] - [ 0.0012675400000000, 0.0004758600000000, 0.0015698800000000 ] - [ -0.0015001700000000, -0.0002214000000000, -0.0027465500000000 ] - [ -0.0009830100000000, -0.0001664200000000, -0.0023167400000000 ] - [ -0.0029770300000000, -0.0005540600000000, -0.0006996200000000 ] - [ -0.0028367400000000, -0.0009753100000000, -0.0009529700000000 ] - [ -0.0007604300000000, -0.0000874300000000, -0.0024150300000000 ] - [ -0.0007535300000000, -0.0001010300000000, -0.0024165700000000 ] - [ -0.0026121100000000, 0.0007501300000000, -0.0008359800000000 ] - [ -0.0025997600000000, 0.0007329100000000, -0.0008280900000000 ] - [ 0.0015379000000000, 0.0006261400000000, 0.0001796200000000 ] - [ 0.0017219600000000, 0.0006944800000000, 0.0008364000000000 ] - [ 0.0013967300000000, 0.0001184500000000, 0.0005739900000000 ] - [ 0.0014237300000000, -0.0000393900000000, -0.0000102300000000 ] - [ 0.0055838400000000, 0.0019730700000000, -0.0040599000000000 ] - [ 0.0012042100000000, -0.0005260600000000, -0.0000561600000000 ] - [ 0.0057152000000000, 0.0001406600000000, 0.0052753500000000 ] - [ 0.0029945400000000, -0.0013272400000000, 0.0030200500000000 ] - [ 0.0016650200000000, -0.0007362800000000, 0.0008428200000000 ] - [ 0.0016648800000000, -0.0007436400000000, 0.0008575800000000 ] - [ 0.0014136800000000, -0.0000078300000000, -0.0000199300000000 ] - [ 0.0014018600000000, -0.0000298700000000, -0.0000671600000000 ] - [ 0.0013505000000000, 0.0004648600000000, -0.0000954100000000 ] - [ 0.0013509100000000, 0.0004644100000000, -0.0001038800000000 ] - [ 0.0031368600000000, 0.0012314200000000, 0.0029646200000000 ] - [ 0.0031376900000000, 0.0012311800000000, 0.0029707200000000 ] - [ -0.0013411200000000, -0.0013069000000000, -0.0011362100000000 ] - [ -0.0013758200000000, -0.0013207500000000, -0.0011897000000000 ] - [ -0.0012720200000000, 0.0012659200000000, -0.0010024800000000 ] - [ -0.0013560200000000, 0.0012283200000000, -0.0012642100000000 ] - [ -0.0009037300000000, 0.0004314700000000, -0.0011228200000000 ] - [ -0.0009202700000000, 0.0004930400000000, -0.0009864100000000 ] - [ -0.0009156400000000, -0.0010352200000000, -0.0002910000000000 ] - [ -0.0010474700000000, -0.0009322000000000, -0.0001769800000000 ] - [ -0.0008841100000000, -0.0004816100000000, -0.0010472400000000 ] - [ -0.0009451500000000, -0.0005263300000000, -0.0010291400000000 ] - [ -0.0013912300000000, 0.0002975500000000, -0.0002976100000000 ] - [ -0.0013915100000000, 0.0002904700000000, -0.0002959200000000 ] - [ -0.0013282000000000, -0.0012586000000000, -0.0001961200000000 ] - [ -0.0022537600000000, -0.0012156000000000, -0.0004681700000000 ] - [ -0.0006808900000000, -0.0000795100000000, -0.0009502700000000 ] - [ -0.0019213700000000, -0.0007289800000000, 0.0010610000000000 ] - [ -0.0022941100000000, 0.0011976700000000, -0.0005290900000000 ] - [ -0.0022955400000000, 0.0011828200000000, -0.0005229200000000 ] - [ -0.0019716000000000, 0.0007696400000000, 0.0010625200000000 ] - [ -0.0019849200000000, 0.0007563700000000, 0.0010654900000000 ] - [ -0.0004839900000000, 0.0009341400000000, 0.0005594300000000 ] - [ -0.0005368200000000, 0.0009582100000000, 0.0001927400000000 ] - [ -0.0004950900000000, -0.0010009000000000, 0.0001644600000000 ] - [ -0.0004885700000000, -0.0010019100000000, 0.0001950700000000 ]- atom: 17 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0004769300000000, -0.0005173300000000, 0.0008875800000000 ] - [ 0.0006913400000000, -0.0005646900000000, 0.0008119100000000 ] - [ -0.0012683300000000, -0.0016662000000000, 0.0005774200000000 ] - [ -0.0018639500000000, -0.0012402700000000, 0.0001687000000000 ] - [ 0.0006916700000000, 0.0004307300000000, 0.0008908000000000 ] - [ 0.0005922900000000, 0.0003767200000000, 0.0007069400000000 ] - [ 0.0003474300000000, 0.0004903900000000, -0.0000378100000000 ] - [ 0.0003460500000000, 0.0004783300000000, -0.0000363800000000 ] - [ 0.0009820600000000, -0.0015616600000000, -0.0006698300000000 ] - [ -0.0002340300000000, -0.0013470200000000, -0.0005284600000000 ] - [ 0.0014047000000000, -0.0012167400000000, 0.0014570200000000 ] - [ -0.0002933500000000, -0.0010802600000000, 0.0015210000000000 ] - [ -0.0006428800000000, 0.0008963600000000, -0.0002251900000000 ] - [ -0.0006480400000000, 0.0009050000000000, -0.0001985100000000 ] - [ -0.0002341600000000, 0.0007587100000000, 0.0010066900000000 ] - [ -0.0002385000000000, 0.0007716700000000, 0.0009824600000000 ] - [ 0.0393512400000000, 0.0077797300000000, -0.0006489700000000 ] - [ 0.0037683800000000, 0.0023284800000000, -0.0007424800000000 ] - [ 0.0025658000000000, 0.0001744500000000, 0.0005129200000000 ] - [ 0.0023285200000000, 0.0000768700000000, 0.0007189400000000 ] - [ 0.0035442500000000, -0.0021968200000000, -0.0007793900000000 ] - [ 0.0035462900000000, -0.0022059000000000, -0.0007768400000000 ] - [ 0.0023454200000000, -0.0000994000000000, 0.0008000200000000 ] - [ 0.0023615700000000, -0.0001604300000000, 0.0006613900000000 ] - [ -0.0039111700000000, 0.0008047700000000, -0.0016618000000000 ] - [ -0.0014559200000000, -0.0002814500000000, 0.0005179800000000 ] - [ -0.0028885700000000, -0.0020261300000000, -0.0013116600000000 ] - [ 0.0002521900000000, -0.0025001100000000, -0.0015311500000000 ] - [ -0.0012997800000000, 0.0002052700000000, 0.0003579500000000 ] - [ -0.0013253900000000, 0.0001559300000000, 0.0003523300000000 ] - [ 0.0004177900000000, 0.0024005700000000, -0.0014569600000000 ] - [ 0.0004197500000000, 0.0023815000000000, -0.0014189200000000 ] - [ -0.0053491200000000, 0.0013929000000000, -0.0034196400000000 ] - [ -0.0052494300000000, 0.0014590000000000, -0.0038871000000000 ] - [ -0.0035193500000000, 0.0032533500000000, -0.0025236800000000 ] - [ -0.0010762100000000, 0.0006740200000000, -0.0005436100000000 ] - [ -0.0007076600000000, 0.0032777800000000, 0.0035588800000000 ] - [ 0.0009292900000000, 0.0013446200000000, 0.0024145300000000 ] - [ -0.0052638500000000, -0.0014157300000000, -0.0038545400000000 ] - [ -0.0052574200000000, -0.0014013500000000, -0.0038258000000000 ] - [ -0.0009226900000000, -0.0006278800000000, -0.0004519300000000 ] - [ -0.0009242300000000, -0.0006258300000000, -0.0004474100000000 ] - [ -0.0006279700000000, 0.0015257800000000, -0.0020573100000000 ] - [ -0.0006486000000000, 0.0015237700000000, -0.0020899600000000 ] - [ 0.0010072300000000, -0.0013147500000000, 0.0023825600000000 ] - [ 0.0010072200000000, -0.0013164700000000, 0.0023733500000000 ] - [ 0.0036453900000000, 0.0003830800000000, 0.0030900000000000 ] - [ 0.0037379900000000, 0.0002848500000000, 0.0030116400000000 ] - [ -0.0006129100000000, -0.0015505700000000, -0.0020279400000000 ] - [ -0.0006219800000000, -0.0015068100000000, -0.0020652400000000 ] - [ -0.0152720200000000, -0.0060974800000000, 0.0000966200000000 ] - [ 0.0013208800000000, -0.0003606800000000, 0.0015195700000000 ] - [ 0.0037405700000000, -0.0003447400000000, 0.0031146100000000 ] - [ 0.0037045700000000, -0.0002893300000000, 0.0030767600000000 ] - [ 0.0012692700000000, 0.0004803100000000, 0.0015913200000000 ] - [ 0.0012672600000000, 0.0004857900000000, 0.0015926300000000 ] - [ -0.0000208400000000, 0.0004028100000000, -0.0020714600000000 ] - [ -0.0005297000000000, 0.0003525600000000, -0.0025004100000000 ] - [ -0.0022276600000000, -0.0009170000000000, -0.0009341800000000 ] - [ -0.0023676800000000, -0.0004920400000000, -0.0006859100000000 ] - [ -0.0007545400000000, -0.0000982000000000, -0.0024028200000000 ] - [ -0.0007615400000000, -0.0000844400000000, -0.0024013100000000 ] - [ -0.0025936200000000, 0.0007183300000000, -0.0008040400000000 ] - [ -0.0026060200000000, 0.0007356200000000, -0.0008118700000000 ] - [ 0.0017926900000000, 0.0008577800000000, 0.0015406400000000 ] - [ 0.0016054900000000, 0.0007893100000000, 0.0008811400000000 ] - [ 0.0014035000000000, -0.0000912100000000, -0.0006454400000000 ] - [ 0.0013763100000000, 0.0000657700000000, -0.0000551500000000 ] - [ -0.0030870100000000, -0.0029847600000000, 0.0040480300000000 ] - [ 0.0014880400000000, -0.0004011700000000, -0.0001227100000000 ] - [ 0.0004187100000000, -0.0026721000000000, 0.0005550800000000 ] - [ 0.0032890200000000, -0.0011389900000000, 0.0029388400000000 ] - [ 0.0016629300000000, -0.0007479300000000, 0.0008743500000000 ] - [ 0.0016631600000000, -0.0007402000000000, 0.0008592300000000 ] - [ 0.0013863000000000, -0.0000189500000000, -0.0000461200000000 ] - [ 0.0013981100000000, 0.0000031600000000, 0.0000014000000000 ] - [ 0.0013448500000000, 0.0004623900000000, -0.0000846500000000 ] - [ 0.0013443800000000, 0.0004628200000000, -0.0000760300000000 ] - [ 0.0031492700000000, 0.0012345200000000, 0.0029941200000000 ] - [ 0.0031484900000000, 0.0012348300000000, 0.0029879400000000 ] - [ -0.0013955900000000, -0.0012912400000000, -0.0012116900000000 ] - [ -0.0013606200000000, -0.0012774600000000, -0.0011575900000000 ] - [ -0.0014648900000000, 0.0013320300000000, -0.0013449100000000 ] - [ -0.0013803200000000, 0.0013702500000000, -0.0010822200000000 ] - [ -0.0009682100000000, 0.0005707400000000, -0.0009209800000000 ] - [ -0.0009505300000000, 0.0005100800000000, -0.0010588800000000 ] - [ -0.0018652000000000, 0.0004533300000000, -0.0002754100000000 ] - [ -0.0017405200000000, 0.0003399800000000, -0.0003897500000000 ] - [ -0.0009868000000000, -0.0005212200000000, -0.0009970300000000 ] - [ -0.0009253700000000, -0.0004761100000000, -0.0010152100000000 ] - [ -0.0013918900000000, 0.0002896200000000, -0.0002705900000000 ] - [ -0.0013915900000000, 0.0002967500000000, -0.0002723000000000 ] - [ -0.0032480300000000, -0.0011211000000000, -0.0008283600000000 ] - [ -0.0023303500000000, -0.0011603600000000, -0.0005587700000000 ] - [ -0.0032849000000000, -0.0014421200000000, 0.0030794600000000 ] - [ -0.0020518900000000, -0.0007934700000000, 0.0010901400000000 ] - [ -0.0022897900000000, 0.0011791300000000, -0.0004986800000000 ] - [ -0.0022883400000000, 0.0011940900000000, -0.0005049000000000 ] - [ -0.0020014900000000, 0.0007537200000000, 0.0010882400000000 ] - [ -0.0019880400000000, 0.0007671300000000, 0.0010853100000000 ] - [ -0.0004986700000000, 0.0010626300000000, -0.0001638500000000 ] - [ -0.0004449800000000, 0.0010408500000000, 0.0002026900000000 ] - [ -0.0004868600000000, -0.0009980200000000, 0.0002305800000000 ] - [ -0.0004935700000000, -0.0009968800000000, 0.0002000000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006635100000000, -0.0004320900000000, 0.0006823300000000 ] - [ 0.0006091900000000, -0.0004203000000000, 0.0010741700000000 ] - [ -0.0014070000000000, 0.0008260400000000, -0.0000728900000000 ] - [ 0.0006053900000000, 0.0005702100000000, -0.0000235700000000 ] - [ 0.0006070700000000, 0.0005762600000000, 0.0006857500000000 ] - [ 0.0007169900000000, 0.0005433000000000, 0.0010690300000000 ] - [ 0.0003479300000000, 0.0004810300000000, -0.0000120700000000 ] - [ 0.0003452300000000, 0.0004902700000000, -0.0000116100000000 ] - [ -0.0001944600000000, 0.0000049500000000, 0.0016979700000000 ] - [ -0.0008083600000000, -0.0001040500000000, -0.0018548500000000 ] - [ 0.0002855900000000, -0.0000062100000000, -0.0011194800000000 ] - [ -0.0002313000000000, -0.0001095300000000, 0.0029070900000000 ] - [ -0.0006447400000000, 0.0009066900000000, -0.0001550300000000 ] - [ -0.0006495300000000, 0.0009105200000000, -0.0002286100000000 ] - [ -0.0002320500000000, 0.0007681900000000, 0.0009763900000000 ] - [ -0.0002393400000000, 0.0007680200000000, 0.0010615800000000 ] - [ -0.0020299400000000, -0.0205884000000000, 0.0022988900000000 ] - [ 0.0034192300000000, 0.0050991400000000, -0.0007699400000000 ] - [ 0.0023050100000000, -0.0003417800000000, 0.0009819000000000 ] - [ 0.0023494000000000, 0.0003853200000000, 0.0006820700000000 ] - [ 0.0035514100000000, -0.0022181200000000, -0.0007525100000000 ] - [ 0.0035423700000000, -0.0021876600000000, -0.0007512100000000 ] - [ 0.0023921900000000, -0.0004346900000000, 0.0006536700000000 ] - [ 0.0022833100000000, 0.0000932800000000, 0.0007374600000000 ] - [ -0.0002391000000000, -0.0040182100000000, 0.0001670700000000 ] - [ -0.0014942100000000, 0.0013604300000000, 0.0006164200000000 ] - [ 0.0020046500000000, -0.0067429700000000, -0.0003490900000000 ] - [ 0.0002205400000000, -0.0008894900000000, -0.0016360400000000 ] - [ -0.0013421200000000, 0.0001061700000000, 0.0003914800000000 ] - [ -0.0012977400000000, 0.0002358300000000, 0.0003926200000000 ] - [ 0.0004063400000000, 0.0022933600000000, -0.0013893000000000 ] - [ 0.0004381400000000, 0.0024766800000000, -0.0014025000000000 ] - [ -0.0053658300000000, 0.0018142700000000, -0.0033805100000000 ] - [ -0.0053278800000000, 0.0012344300000000, -0.0039634400000000 ] - [ -0.0031505800000000, 0.0046220900000000, -0.0024241000000000 ] - [ -0.0010766800000000, -0.0002310800000000, -0.0008721900000000 ] - [ -0.0003068000000000, 0.0046203400000000, 0.0032379400000000 ] - [ 0.0008771200000000, 0.0005923300000000, 0.0028244900000000 ] - [ -0.0052519200000000, -0.0013860900000000, -0.0038216700000000 ] - [ -0.0052793100000000, -0.0014399200000000, -0.0038802700000000 ] - [ -0.0009249300000000, -0.0006184200000000, -0.0004526500000000 ] - [ -0.0009186600000000, -0.0006325600000000, -0.0004654900000000 ] - [ -0.0006570100000000, 0.0015935700000000, -0.0020352600000000 ] - [ -0.0006299200000000, 0.0014437500000000, -0.0021517100000000 ] - [ 0.0010043900000000, -0.0013132100000000, 0.0023599000000000 ] - [ 0.0010126100000000, -0.0013247600000000, 0.0023693200000000 ] - [ 0.0036692200000000, 0.0004407200000000, 0.0029357900000000 ] - [ 0.0036740000000000, 0.0001521000000000, 0.0030886500000000 ] - [ -0.0007177000000000, -0.0012606900000000, -0.0019843500000000 ] - [ -0.0006679600000000, -0.0016784700000000, -0.0021091100000000 ] - [ 0.0074628800000000, 0.0022505000000000, 0.0014832800000000 ] - [ 0.0011638900000000, -0.0012054400000000, 0.0018078800000000 ] - [ 0.0036903000000000, -0.0002291900000000, 0.0030236200000000 ] - [ 0.0037402700000000, -0.0003736200000000, 0.0031163500000000 ] - [ 0.0012651300000000, 0.0004878400000000, 0.0015811400000000 ] - [ 0.0012697300000000, 0.0004718700000000, 0.0015795300000000 ] - [ -0.0003785400000000, 0.0007281100000000, -0.0028451500000000 ] - [ -0.0010554500000000, -0.0006978000000000, -0.0020997900000000 ] - [ -0.0022630200000000, 0.0001560800000000, -0.0001666000000000 ] - [ -0.0028820300000000, -0.0016412300000000, -0.0012678700000000 ] - [ -0.0007670000000000, -0.0000785900000000, -0.0024130800000000 ] - [ -0.0007489000000000, -0.0001080400000000, -0.0024059000000000 ] - [ -0.0026092600000000, 0.0007450000000000, -0.0008147000000000 ] - [ -0.0025950500000000, 0.0007210700000000, -0.0008238200000000 ] - [ 0.0015085900000000, 0.0008590200000000, 0.0005756600000000 ] - [ 0.0017983500000000, 0.0005965800000000, 0.0009406800000000 ] - [ 0.0014315400000000, 0.0002272600000000, 0.0002977500000000 ] - [ 0.0014364400000000, -0.0001538000000000, -0.0001420900000000 ] - [ 0.0029208300000000, 0.0012229300000000, -0.0014705000000000 ] - [ 0.0017522100000000, -0.0012019100000000, -0.0004953300000000 ] - [ 0.0041311200000000, 0.0000670900000000, 0.0036284100000000 ] - [ 0.0034979200000000, -0.0018755700000000, 0.0033999200000000 ] - [ 0.0016832100000000, -0.0007069300000000, 0.0008068800000000 ] - [ 0.0016472200000000, -0.0007769100000000, 0.0009000300000000 ] - [ 0.0014124300000000, 0.0000160900000000, 0.0000131600000000 ] - [ 0.0013905000000000, -0.0000436200000000, -0.0000740900000000 ] - [ 0.0013491000000000, 0.0004668200000000, -0.0000801300000000 ] - [ 0.0013457300000000, 0.0004587400000000, -0.0000986600000000 ] - [ 0.0031448100000000, 0.0012368500000000, 0.0029704300000000 ] - [ 0.0031416100000000, 0.0012274400000000, 0.0029864100000000 ] - [ -0.0013335900000000, -0.0012735100000000, -0.0011240500000000 ] - [ -0.0013936000000000, -0.0013339100000000, -0.0012164800000000 ] - [ -0.0013255200000000, 0.0014360400000000, -0.0007951600000000 ] - [ -0.0013634600000000, 0.0010855200000000, -0.0014776500000000 ] - [ -0.0008860200000000, 0.0006217100000000, -0.0013226800000000 ] - [ -0.0009580800000000, 0.0003318700000000, -0.0007585000000000 ] - [ -0.0021456300000000, 0.0081456000000000, -0.0001667700000000 ] - [ -0.0018406200000000, -0.0031651100000000, -0.0001184300000000 ] - [ -0.0009144000000000, -0.0004801300000000, -0.0010844900000000 ] - [ -0.0009684500000000, -0.0005440200000000, -0.0009796800000000 ] - [ -0.0013897700000000, 0.0002977800000000, -0.0002854400000000 ] - [ -0.0013930800000000, 0.0002891600000000, -0.0002833500000000 ] - [ -0.0029374300000000, 0.0008051300000000, 0.0005070200000000 ] - [ -0.0020055700000000, -0.0017638200000000, -0.0003905200000000 ] - [ -0.0019723900000000, 0.0028982600000000, -0.0029176200000000 ] - [ -0.0016189500000000, -0.0014167000000000, 0.0010064800000000 ] - [ -0.0022880900000000, 0.0012066000000000, -0.0005218000000000 ] - [ -0.0022970000000000, 0.0011701700000000, -0.0005081400000000 ] - [ -0.0019776700000000, 0.0007790200000000, 0.0010804600000000 ] - [ -0.0019966600000000, 0.0007439600000000, 0.0010706500000000 ] - [ -0.0005364300000000, 0.0015274900000000, -0.0001595800000000 ] - [ -0.0006037500000000, 0.0007604800000000, 0.0003233400000000 ] - [ -0.0005079200000000, -0.0009684100000000, 0.0001701200000000 ] - [ -0.0004762500000000, -0.0010304000000000, 0.0002162900000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006541000000000, -0.0005482900000000, 0.0010700500000000 ] - [ 0.0007083900000000, -0.0005634600000000, 0.0006787700000000 ] - [ 0.0020919200000000, -0.0017964000000000, 0.0000487700000000 ] - [ 0.0000756000000000, -0.0015308300000000, -0.0000015800000000 ] - [ 0.0007100500000000, 0.0004036400000000, 0.0010665700000000 ] - [ 0.0006006900000000, 0.0004393300000000, 0.0006837900000000 ] - [ 0.0003448300000000, 0.0004897100000000, -0.0000131500000000 ] - [ 0.0003474400000000, 0.0004800500000000, -0.0000135100000000 ] - [ -0.0011028000000000, -0.0018132400000000, -0.0020945600000000 ] - [ -0.0004848700000000, -0.0017106400000000, 0.0014574300000000 ] - [ -0.0007555200000000, -0.0015241300000000, 0.0031645500000000 ] - [ -0.0002359100000000, -0.0014258300000000, -0.0008613500000000 ] - [ -0.0006503500000000, 0.0009038600000000, -0.0002330000000000 ] - [ -0.0006456900000000, 0.0009006900000000, -0.0001594000000000 ] - [ -0.0002356400000000, 0.0007631900000000, 0.0010567600000000 ] - [ -0.0002284800000000, 0.0007638100000000, 0.0009716400000000 ] - [ 0.0090431100000000, 0.0247150800000000, -0.0038012500000000 ] - [ 0.0036760800000000, -0.0007043300000000, -0.0007353100000000 ] - [ 0.0023731600000000, 0.0005680400000000, 0.0004252700000000 ] - [ 0.0023283800000000, -0.0001596200000000, 0.0007289000000000 ] - [ 0.0035418400000000, -0.0021858000000000, -0.0007528500000000 ] - [ 0.0035508600000000, -0.0022162300000000, -0.0007540500000000 ] - [ 0.0022860400000000, 0.0002085900000000, 0.0007567200000000 ] - [ 0.0023945100000000, -0.0003192400000000, 0.0006714700000000 ] - [ -0.0023998400000000, 0.0036608600000000, 0.0006079600000000 ] - [ -0.0011395400000000, -0.0017102700000000, 0.0001691300000000 ] - [ -0.0011568100000000, 0.0019449600000000, -0.0024375600000000 ] - [ 0.0006294200000000, -0.0039003300000000, -0.0011603100000000 ] - [ -0.0012943900000000, 0.0002466700000000, 0.0003898200000000 ] - [ -0.0013387600000000, 0.0001170900000000, 0.0003882600000000 ] - [ 0.0004414400000000, 0.0024985400000000, -0.0014036000000000 ] - [ 0.0004097300000000, 0.0023151800000000, -0.0013898700000000 ] - [ -0.0051735500000000, 0.0010122400000000, -0.0043281600000000 ] - [ -0.0052106500000000, 0.0015923700000000, -0.0037453500000000 ] - [ 0.0013985900000000, -0.0034540400000000, 0.0015926600000000 ] - [ -0.0007690200000000, 0.0014779800000000, -0.0000514500000000 ] - [ 0.0023921400000000, -0.0020455300000000, 0.0014207800000000 ] - [ 0.0011390300000000, 0.0020426400000000, 0.0019088700000000 ] - [ -0.0052863600000000, -0.0014409100000000, -0.0038856800000000 ] - [ -0.0052590100000000, -0.0013873200000000, -0.0038268800000000 ] - [ -0.0009191500000000, -0.0006318300000000, -0.0004669700000000 ] - [ -0.0009253700000000, -0.0006178000000000, -0.0004539900000000 ] - [ -0.0006291200000000, 0.0014187800000000, -0.0021739200000000 ] - [ -0.0006564800000000, 0.0015686600000000, -0.0020578900000000 ] - [ 0.0010134900000000, -0.0013244000000000, 0.0023696700000000 ] - [ 0.0010053400000000, -0.0013129700000000, 0.0023600500000000 ] - [ 0.0037644600000000, 0.0001725300000000, 0.0032144400000000 ] - [ 0.0037569800000000, 0.0004587800000000, 0.0030577500000000 ] - [ -0.0005668500000000, -0.0017513800000000, -0.0022268800000000 ] - [ -0.0006181200000000, -0.0013353800000000, -0.0020985800000000 ] - [ -0.0049048300000000, -0.0032416700000000, 0.0016812700000000 ] - [ 0.0013695900000000, 0.0002427100000000, 0.0013533000000000 ] - [ 0.0037409100000000, -0.0003829500000000, 0.0031239300000000 ] - [ 0.0036907700000000, -0.0002384700000000, 0.0030317600000000 ] - [ 0.0012696400000000, 0.0004731300000000, 0.0015805600000000 ] - [ 0.0012650300000000, 0.0004891300000000, 0.0015822500000000 ] - [ -0.0011326300000000, -0.0005378500000000, -0.0019742800000000 ] - [ -0.0004586200000000, 0.0008792500000000, -0.0027179900000000 ] - [ -0.0029383400000000, -0.0016207000000000, -0.0014694600000000 ] - [ -0.0023232100000000, 0.0001697000000000, -0.0003718200000000 ] - [ -0.0007484000000000, -0.0001074200000000, -0.0024046200000000 ] - [ -0.0007666200000000, -0.0000778200000000, -0.0024117900000000 ] - [ -0.0025966300000000, 0.0007228500000000, -0.0008250700000000 ] - [ -0.0026109900000000, 0.0007469800000000, -0.0008161400000000 ] - [ 0.0018194000000000, 0.0006235600000000, 0.0011392900000000 ] - [ 0.0015288900000000, 0.0008869800000000, 0.0007774600000000 ] - [ 0.0013694700000000, -0.0002011200000000, -0.0003626300000000 ] - [ 0.0013634000000000, 0.0001805900000000, 0.0000751200000000 ] - [ -0.0002429700000000, -0.0021415400000000, 0.0012997200000000 ] - [ 0.0009423000000000, 0.0002744100000000, 0.0003137000000000 ] - [ 0.0021414800000000, -0.0025302100000000, 0.0023215200000000 ] - [ 0.0027888000000000, -0.0005913200000000, 0.0025605300000000 ] - [ 0.0016444800000000, -0.0007768500000000, 0.0009097600000000 ] - [ 0.0016803200000000, -0.0007071300000000, 0.0008165700000000 ] - [ 0.0013873000000000, -0.0000432400000000, -0.0000792000000000 ] - [ 0.0014093100000000, 0.0000162100000000, 0.0000081700000000 ] - [ 0.0013461400000000, 0.0004598300000000, -0.0001000700000000 ] - [ 0.0013494100000000, 0.0004677900000000, -0.0000814300000000 ] - [ 0.0031417500000000, 0.0012287000000000, 0.0029889100000000 ] - [ 0.0031449100000000, 0.0012380600000000, 0.0029728200000000 ] - [ -0.0014032000000000, -0.0013241900000000, -0.0012218800000000 ] - [ -0.0013429600000000, -0.0012630100000000, -0.0011300500000000 ] - [ -0.0014114100000000, 0.0011617800000000, -0.0015506800000000 ] - [ -0.0013729900000000, 0.0015107500000000, -0.0008685700000000 ] - [ -0.0009861400000000, 0.0003811700000000, -0.0007229700000000 ] - [ -0.0009131500000000, 0.0006685400000000, -0.0012870900000000 ] - [ -0.0007314900000000, -0.0082887200000000, -0.0003905600000000 ] - [ -0.0009344800000000, 0.0025890800000000, -0.0004505600000000 ] - [ -0.0009569700000000, -0.0005216500000000, -0.0009607200000000 ] - [ -0.0009027200000000, -0.0004572100000000, -0.0010651100000000 ] - [ -0.0013932800000000, 0.0002899500000000, -0.0002823500000000 ] - [ -0.0013899800000000, 0.0002986800000000, -0.0002844400000000 ] - [ -0.0016433000000000, -0.0031756600000000, -0.0015152700000000 ] - [ -0.0025796800000000, -0.0006137500000000, -0.0006393700000000 ] - [ -0.0019843500000000, -0.0044118300000000, 0.0050107600000000 ] - [ -0.0023561200000000, -0.0001069200000000, 0.0011463200000000 ] - [ -0.0022964100000000, 0.0011698600000000, -0.0005058200000000 ] - [ -0.0022873500000000, 0.0012063500000000, -0.0005193900000000 ] - [ -0.0019962100000000, 0.0007435400000000, 0.0010701700000000 ] - [ -0.0019771100000000, 0.0007786700000000, 0.0010798400000000 ] - [ -0.0004466100000000, 0.0004709600000000, 0.0005557200000000 ] - [ -0.0003787500000000, 0.0012377000000000, 0.0000730700000000 ] - [ -0.0004745000000000, -0.0010302100000000, 0.0002251900000000 ] - [ -0.0005062500000000, -0.0009685500000000, 0.0001786000000000 ]- atom: 17 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0007240600000000, -0.0009373800000000, 0.0016486000000000 ] - [ 0.0006407000000000, 0.0000759100000000, 0.0014821800000000 ] - [ 0.0004526400000000, -0.0000049300000000, -0.0022089900000000 ] - [ 0.0003092500000000, -0.0004492000000000, -0.0044977900000000 ] - [ 0.0006023900000000, -0.0000259600000000, 0.0016113800000000 ] - [ 0.0007192800000000, 0.0008899800000000, 0.0015933600000000 ] - [ 0.0003232800000000, 0.0005162100000000, 0.0006699100000000 ] - [ 0.0003256900000000, 0.0005143200000000, 0.0006551900000000 ] - [ -0.0001303600000000, 0.0014445800000000, 0.0005387400000000 ] - [ 0.0000913100000000, -0.0030920600000000, -0.0005917400000000 ] - [ -0.0006191100000000, -0.0031561800000000, 0.0019321500000000 ] - [ -0.0007021100000000, 0.0012591900000000, 0.0002853800000000 ] - [ -0.0006466600000000, 0.0009607800000000, 0.0004336700000000 ] - [ -0.0006163800000000, 0.0007927800000000, 0.0004445000000000 ] - [ -0.0002187100000000, 0.0007134600000000, 0.0016325400000000 ] - [ -0.0002589700000000, 0.0008439900000000, 0.0016609300000000 ] - [ 0.0045679400000000, 0.0054553300000000, -0.0311187100000000 ] - [ 0.0035427200000000, 0.0021886000000000, -0.0021755100000000 ] - [ 0.0022356700000000, -0.0000426900000000, 0.0022756400000000 ] - [ 0.0023950600000000, 0.0000565900000000, 0.0010282100000000 ] - [ 0.0035757700000000, -0.0022033700000000, -0.0000296100000000 ] - [ 0.0035732400000000, -0.0022049800000000, -0.0001005300000000 ] - [ 0.0024360200000000, -0.0000915400000000, 0.0017807200000000 ] - [ 0.0022749600000000, -0.0000743100000000, 0.0011498500000000 ] - [ 0.0008026400000000, 0.0005621300000000, 0.0010654200000000 ] - [ -0.0014080100000000, -0.0004683600000000, -0.0004531900000000 ] - [ -0.0019459700000000, -0.0021377300000000, 0.0010494500000000 ] - [ 0.0004020700000000, -0.0022419700000000, -0.0020169000000000 ] - [ -0.0013308900000000, 0.0001661800000000, 0.0013990300000000 ] - [ -0.0013188900000000, 0.0001876400000000, 0.0012094800000000 ] - [ 0.0004359700000000, 0.0024028100000000, -0.0003394600000000 ] - [ 0.0004086100000000, 0.0023652000000000, -0.0005451000000000 ] - [ -0.0054233600000000, 0.0017784000000000, -0.0043914100000000 ] - [ -0.0053250800000000, 0.0012648100000000, -0.0037826400000000 ] - [ 0.0010971500000000, -0.0015356800000000, 0.0030009800000000 ] - [ -0.0009709600000000, 0.0005535500000000, 0.0000518100000000 ] - [ -0.0005136800000000, 0.0026031000000000, 0.0052370100000000 ] - [ 0.0011327500000000, 0.0014498200000000, 0.0030055000000000 ] - [ -0.0052814800000000, -0.0014218300000000, -0.0042390300000000 ] - [ -0.0052939000000000, -0.0014792800000000, -0.0041404200000000 ] - [ -0.0009034700000000, -0.0005687300000000, -0.0007683600000000 ] - [ -0.0008906000000000, -0.0005876900000000, -0.0007250400000000 ] - [ -0.0007182900000000, 0.0013317600000000, -0.0026212900000000 ] - [ -0.0006507500000000, 0.0013333300000000, -0.0024578200000000 ] - [ 0.0010243600000000, -0.0014014700000000, 0.0020074700000000 ] - [ 0.0010088000000000, -0.0013763700000000, 0.0020553100000000 ] - [ 0.0033234300000000, -0.0001688400000000, 0.0021599000000000 ] - [ 0.0037606100000000, 0.0004111700000000, 0.0031168800000000 ] - [ -0.0005096500000000, -0.0010292500000000, -0.0030226400000000 ] - [ -0.0006545500000000, -0.0015865200000000, -0.0020299800000000 ] - [ 0.0033219200000000, -0.0007585600000000, 0.0035341800000000 ] - [ 0.0013221600000000, -0.0006206200000000, 0.0022492300000000 ] - [ 0.0038029100000000, -0.0001765100000000, 0.0025924800000000 ] - [ 0.0037362000000000, -0.0001408300000000, 0.0027494200000000 ] - [ 0.0012337500000000, 0.0004016300000000, 0.0012378500000000 ] - [ 0.0012349400000000, 0.0004098200000000, 0.0012734900000000 ] - [ -0.0007897400000000, -0.0005288200000000, -0.0018675700000000 ] - [ -0.0004931900000000, 0.0007610400000000, -0.0021727600000000 ] - [ -0.0021644000000000, 0.0002999000000000, -0.0000594700000000 ] - [ -0.0027604900000000, -0.0011539000000000, -0.0005126800000000 ] - [ -0.0007464100000000, -0.0001705200000000, -0.0026466000000000 ] - [ -0.0007766800000000, -0.0001194600000000, -0.0026046300000000 ] - [ -0.0026323400000000, 0.0008914700000000, -0.0011434600000000 ] - [ -0.0026033200000000, 0.0008415400000000, -0.0010887700000000 ] - [ 0.0020365300000000, 0.0002537200000000, 0.0002418200000000 ] - [ 0.0014979700000000, 0.0009572400000000, 0.0009569400000000 ] - [ 0.0013369300000000, 0.0002821600000000, -0.0005134100000000 ] - [ 0.0014709900000000, -0.0001012300000000, 0.0000319500000000 ] - [ -0.0033612400000000, -0.0019675300000000, 0.0040596100000000 ] - [ 0.0011687200000000, -0.0004763900000000, 0.0004863300000000 ] - [ 0.0063745600000000, -0.0003208500000000, 0.0064347600000000 ] - [ 0.0033337700000000, -0.0012728000000000, 0.0037382100000000 ] - [ 0.0017028900000000, -0.0006587900000000, 0.0004781900000000 ] - [ 0.0017272300000000, -0.0005761100000000, 0.0005081600000000 ] - [ 0.0012810100000000, -0.0000307100000000, -0.0004051500000000 ] - [ 0.0013310300000000, -0.0000936000000000, -0.0003381400000000 ] - [ 0.0014452400000000, 0.0004975400000000, -0.0003969400000000 ] - [ 0.0014232900000000, 0.0004788700000000, -0.0003592100000000 ] - [ 0.0030205700000000, 0.0012007200000000, 0.0026255500000000 ] - [ 0.0030461900000000, 0.0012153300000000, 0.0026623800000000 ] - [ -0.0013605600000000, -0.0010851400000000, -0.0016561200000000 ] - [ -0.0014218400000000, -0.0013096200000000, -0.0014974700000000 ] - [ -0.0015606200000000, 0.0014832300000000, -0.0016208800000000 ] - [ -0.0013617700000000, 0.0010063100000000, -0.0015004100000000 ] - [ -0.0006756500000000, 0.0001654900000000, -0.0013390500000000 ] - [ -0.0009181800000000, 0.0008117200000000, -0.0013187700000000 ] - [ -0.0014784700000000, -0.0000144500000000, 0.0017285400000000 ] - [ -0.0013538400000000, -0.0001419900000000, 0.0011721100000000 ] - [ -0.0009316100000000, -0.0007072900000000, -0.0014258900000000 ] - [ -0.0008237700000000, -0.0004631900000000, -0.0012897300000000 ] - [ -0.0013994100000000, 0.0003032400000000, -0.0006341000000000 ] - [ -0.0014000900000000, 0.0003040300000000, -0.0006178100000000 ] - [ -0.0030889600000000, -0.0003899200000000, 0.0035640100000000 ] - [ -0.0023427700000000, -0.0009382500000000, -0.0001825400000000 ] - [ -0.0037312000000000, -0.0047719800000000, 0.0100334900000000 ] - [ -0.0020838700000000, -0.0011031000000000, 0.0015149400000000 ] - [ -0.0023366800000000, 0.0012043000000000, -0.0007947300000000 ] - [ -0.0023146900000000, 0.0012137900000000, -0.0007500700000000 ] - [ -0.0018560800000000, 0.0007426900000000, 0.0007558900000000 ] - [ -0.0018849500000000, 0.0007325400000000, 0.0008031300000000 ] - [ -0.0005876300000000, 0.0007010300000000, -0.0004933900000000 ] - [ -0.0003874000000000, 0.0011680200000000, 0.0002008100000000 ] - [ -0.0005366400000000, -0.0010762300000000, -0.0002356800000000 ] - [ -0.0005388900000000, -0.0009942400000000, -0.0000931400000000 ]- atom: 17 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0005952300000000, -0.0000450200000000, 0.0001035600000000 ] - [ 0.0006780400000000, -0.0010571300000000, 0.0002692900000000 ] - [ 0.0002441300000000, -0.0009732300000000, 0.0021887900000000 ] - [ 0.0003858200000000, -0.0005220500000000, 0.0044760800000000 ] - [ 0.0007156900000000, 0.0010079200000000, 0.0001406000000000 ] - [ 0.0005995400000000, 0.0000905200000000, 0.0001585300000000 ] - [ 0.0003691700000000, 0.0004548200000000, -0.0006959300000000 ] - [ 0.0003667300000000, 0.0004567400000000, -0.0006810900000000 ] - [ -0.0011680700000000, -0.0032702500000000, -0.0009330900000000 ] - [ -0.0013891600000000, 0.0012902900000000, 0.0002047600000000 ] - [ 0.0001482600000000, 0.0016091700000000, 0.0001073100000000 ] - [ 0.0002306600000000, -0.0027841400000000, 0.0017428700000000 ] - [ -0.0006483600000000, 0.0008509500000000, -0.0008229300000000 ] - [ -0.0006786000000000, 0.0010187400000000, -0.0008336900000000 ] - [ -0.0002491000000000, 0.0008193200000000, 0.0003993800000000 ] - [ -0.0002088400000000, 0.0006886200000000, 0.0003708800000000 ] - [ 0.0024762300000000, -0.0010268600000000, 0.0297859400000000 ] - [ 0.0035485300000000, 0.0022125800000000, 0.0006718700000000 ] - [ 0.0024427900000000, 0.0002695400000000, -0.0008649100000000 ] - [ 0.0022834400000000, 0.0001699500000000, 0.0003810400000000 ] - [ 0.0035189900000000, -0.0022017200000000, -0.0014765400000000 ] - [ 0.0035215400000000, -0.0022001700000000, -0.0014056100000000 ] - [ 0.0022430300000000, -0.0001346800000000, -0.0003718300000000 ] - [ 0.0024037800000000, -0.0001523600000000, 0.0002605300000000 ] - [ -0.0034205200000000, -0.0009231800000000, -0.0002925400000000 ] - [ -0.0012279900000000, 0.0001166800000000, 0.0012308600000000 ] - [ 0.0028063100000000, -0.0026662700000000, -0.0038484000000000 ] - [ 0.0004460900000000, -0.0025489000000000, -0.0007740500000000 ] - [ -0.0013064300000000, 0.0001847300000000, -0.0006198500000000 ] - [ -0.0013183700000000, 0.0001631200000000, -0.0004299700000000 ] - [ 0.0004112500000000, 0.0023878100000000, -0.0024553900000000 ] - [ 0.0004384700000000, 0.0024251900000000, -0.0022499700000000 ] - [ -0.0051163600000000, 0.0010517400000000, -0.0033201300000000 ] - [ -0.0052121900000000, 0.0015622000000000, -0.0039263100000000 ] - [ -0.0028785600000000, 0.0027218200000000, -0.0038722800000000 ] - [ -0.0008716100000000, 0.0006977400000000, -0.0009687000000000 ] - [ 0.0025972100000000, -0.0000261000000000, -0.0005726300000000 ] - [ 0.0008853100000000, 0.0011866500000000, 0.0017199700000000 ] - [ -0.0052556000000000, -0.0014058900000000, -0.0034704400000000 ] - [ -0.0052431300000000, -0.0013482900000000, -0.0035691100000000 ] - [ -0.0009398800000000, -0.0006819300000000, -0.0001501300000000 ] - [ -0.0009527600000000, -0.0006629600000000, -0.0001934400000000 ] - [ -0.0005672500000000, 0.0016825100000000, -0.0015862500000000 ] - [ -0.0006347500000000, 0.0016810400000000, -0.0017493300000000 ] - [ 0.0009945000000000, -0.0012361700000000, 0.0027209700000000 ] - [ 0.0010100900000000, -0.0012612500000000, 0.0026730600000000 ] - [ 0.0041098500000000, 0.0007792200000000, 0.0039868000000000 ] - [ 0.0036712200000000, 0.0001994400000000, 0.0030291200000000 ] - [ -0.0007734800000000, -0.0019849600000000, -0.0011887400000000 ] - [ -0.0006308300000000, -0.0014271900000000, -0.0021783800000000 ] - [ -0.0008152600000000, -0.0002156600000000, -0.0003858400000000 ] - [ 0.0012134700000000, -0.0003417800000000, 0.0009129100000000 ] - [ 0.0036289100000000, -0.0004338100000000, 0.0035530600000000 ] - [ 0.0036957400000000, -0.0004694000000000, 0.0033957500000000 ] - [ 0.0013015200000000, 0.0005615100000000, 0.0019253800000000 ] - [ 0.0013003300000000, 0.0005533400000000, 0.0018897700000000 ] - [ -0.0007263600000000, 0.0007129600000000, -0.0029457800000000 ] - [ -0.0010231600000000, -0.0005769100000000, -0.0026438600000000 ] - [ -0.0030458000000000, -0.0017743700000000, -0.0015835600000000 ] - [ -0.0024464100000000, -0.0003155300000000, -0.0011290700000000 ] - [ -0.0007707800000000, -0.0000137500000000, -0.0021698800000000 ] - [ -0.0007404900000000, -0.0000648800000000, -0.0022120100000000 ] - [ -0.0025749600000000, 0.0005786500000000, -0.0004982700000000 ] - [ -0.0026039600000000, 0.0006285600000000, -0.0005529200000000 ] - [ 0.0012896900000000, 0.0012338300000000, 0.0014758500000000 ] - [ 0.0018297800000000, 0.0005270600000000, 0.0007595900000000 ] - [ 0.0014644800000000, -0.0002519100000000, 0.0004453000000000 ] - [ 0.0013282300000000, 0.0001292900000000, -0.0000991900000000 ] - [ 0.0059170200000000, 0.0009931000000000, -0.0041596000000000 ] - [ 0.0015240700000000, -0.0004480900000000, -0.0006631900000000 ] - [ -0.0001860600000000, -0.0021759400000000, -0.0005295900000000 ] - [ 0.0029499000000000, -0.0011911100000000, 0.0022160800000000 ] - [ 0.0016240000000000, -0.0008271600000000, 0.0012389100000000 ] - [ 0.0015996500000000, -0.0009096000000000, 0.0012088100000000 ] - [ 0.0015176600000000, 0.0000020100000000, 0.0003376200000000 ] - [ 0.0014673900000000, 0.0000650500000000, 0.0002704200000000 ] - [ 0.0012485400000000, 0.0004277600000000, 0.0002183500000000 ] - [ 0.0012704800000000, 0.0004464600000000, 0.0001805900000000 ] - [ 0.0032643300000000, 0.0012638200000000, 0.0033323100000000 ] - [ 0.0032387800000000, 0.0012492500000000, 0.0032954700000000 ] - [ -0.0013763100000000, -0.0015116100000000, -0.0006905900000000 ] - [ -0.0013150100000000, -0.0012873800000000, -0.0008490700000000 ] - [ -0.0011750700000000, 0.0011126000000000, -0.0007241100000000 ] - [ -0.0013751100000000, 0.0015908900000000, -0.0008463800000000 ] - [ -0.0011958700000000, 0.0008348400000000, -0.0007069500000000 ] - [ -0.0009539200000000, 0.0001894900000000, -0.0007268900000000 ] - [ -0.0012992000000000, -0.0005871400000000, -0.0023000800000000 ] - [ -0.0014297800000000, -0.0004486000000000, -0.0017408600000000 ] - [ -0.0009400500000000, -0.0002934600000000, -0.0006193900000000 ] - [ -0.0010481200000000, -0.0005381500000000, -0.0007558800000000 ] - [ -0.0013836900000000, 0.0002848800000000, 0.0000662900000000 ] - [ -0.0013829800000000, 0.0002840200000000, 0.0000499800000000 ] - [ -0.0014706300000000, -0.0019163700000000, -0.0043504700000000 ] - [ -0.0022414000000000, -0.0014394300000000, -0.0008442500000000 ] - [ -0.0001197300000000, 0.0034295900000000, -0.0082373900000000 ] - [ -0.0018876000000000, -0.0004197800000000, 0.0006334100000000 ] - [ -0.0022475000000000, 0.0011737500000000, -0.0002320600000000 ] - [ -0.0022694600000000, 0.0011642400000000, -0.0002768200000000 ] - [ -0.0021160600000000, 0.0007815300000000, 0.0013933600000000 ] - [ -0.0020871900000000, 0.0007917200000000, 0.0013461600000000 ] - [ -0.0003951500000000, 0.0013009400000000, 0.0008918100000000 ] - [ -0.0005943400000000, 0.0008305900000000, 0.0001948900000000 ] - [ -0.0004444100000000, -0.0009232100000000, 0.0006318200000000 ] - [ -0.0004422100000000, -0.0010050800000000, 0.0004895100000000 ]- atom: 19 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0038050700000000, -0.0003559700000000, 0.0008038800000000 ] - [ 0.0023787300000000, 0.0003185600000000, 0.0013672400000000 ] - [ 0.0002943700000000, -0.0003719000000000, -0.0000589400000000 ] - [ 0.0005289800000000, -0.0004812000000000, 0.0000326000000000 ] - [ 0.0006597300000000, 0.0004987000000000, 0.0008840300000000 ] - [ 0.0006597400000000, 0.0004859100000000, 0.0008839200000000 ] - [ 0.0003053400000000, 0.0003750500000000, -0.0000375000000000 ] - [ 0.0003995800000000, 0.0005771600000000, 0.0000170900000000 ] - [ -0.0006717800000000, -0.0009075400000000, -0.0001828000000000 ] - [ -0.0006488900000000, -0.0008905100000000, -0.0002005100000000 ] - [ -0.0018896800000000, -0.0004776800000000, 0.0014102700000000 ] - [ -0.0004332600000000, -0.0007951300000000, 0.0020835500000000 ] - [ -0.0012486700000000, 0.0012352100000000, -0.0001907100000000 ] - [ -0.0010220300000000, 0.0016068700000000, -0.0015863800000000 ] - [ -0.0002404800000000, 0.0007802000000000, 0.0010369800000000 ] - [ -0.0002344800000000, 0.0007531700000000, 0.0010109500000000 ] - [ 0.0033213900000000, 0.0021686200000000, -0.0008653700000000 ] - [ 0.0035576100000000, 0.0022123200000000, -0.0006969100000000 ] - [ -0.0308975000000000, 0.0017825600000000, 0.0032947400000000 ] - [ 0.0020731300000000, 0.0000891600000000, 0.0006209500000000 ] - [ 0.0035414500000000, -0.0022547300000000, -0.0006573200000000 ] - [ 0.0035245700000000, -0.0021463200000000, -0.0008185900000000 ] - [ 0.0023383000000000, -0.0001157600000000, 0.0007113700000000 ] - [ 0.0023396300000000, -0.0001079800000000, 0.0007094200000000 ] - [ 0.0015587800000000, -0.0016075700000000, -0.0013867700000000 ] - [ -0.0011121000000000, -0.0001736300000000, 0.0004384600000000 ] - [ 0.0004759200000000, -0.0024009000000000, -0.0014000800000000 ] - [ 0.0004221000000000, -0.0023853600000000, -0.0013794400000000 ] - [ -0.0013113300000000, 0.0001496400000000, 0.0004126300000000 ] - [ -0.0013164800000000, 0.0001918100000000, 0.0003751400000000 ] - [ 0.0015141400000000, 0.0039414000000000, 0.0004910800000000 ] - [ 0.0006536800000000, 0.0026323900000000, -0.0015777700000000 ] - [ -0.0017216800000000, -0.0027593800000000, -0.0069490500000000 ] - [ -0.0050531000000000, 0.0013094400000000, -0.0038892800000000 ] - [ -0.0008484900000000, 0.0006921900000000, -0.0000010100000000 ] - [ -0.0008650900000000, 0.0006074100000000, -0.0005138200000000 ] - [ 0.0009940200000000, 0.0013143100000000, 0.0024092000000000 ] - [ 0.0010135400000000, 0.0013046400000000, 0.0023627000000000 ] - [ -0.0052683300000000, -0.0014124400000000, -0.0038667000000000 ] - [ -0.0052692500000000, -0.0014134900000000, -0.0038526200000000 ] - [ -0.0009253800000000, -0.0006191900000000, -0.0004895000000000 ] - [ -0.0009198200000000, -0.0006222700000000, -0.0004522700000000 ] - [ 0.0046322400000000, -0.0023573300000000, 0.0023681400000000 ] - [ -0.0006111300000000, 0.0013779900000000, -0.0021404200000000 ] - [ 0.0010518200000000, -0.0014196800000000, 0.0021255500000000 ] - [ 0.0011148700000000, -0.0013453400000000, 0.0024524800000000 ] - [ 0.0129271700000000, 0.0053802900000000, 0.0002255700000000 ] - [ 0.0036533800000000, 0.0003736300000000, 0.0030053900000000 ] - [ -0.0006431100000000, -0.0015053100000000, -0.0021058200000000 ] - [ -0.0006420700000000, -0.0015055300000000, -0.0021089100000000 ] - [ 0.0012945000000000, -0.0005544000000000, 0.0016370800000000 ] - [ 0.0012379700000000, -0.0004755600000000, 0.0015225000000000 ] - [ 0.0037137600000000, -0.0002986500000000, 0.0030658400000000 ] - [ 0.0037191400000000, -0.0003079700000000, 0.0030717900000000 ] - [ 0.0012555300000000, 0.0005167400000000, 0.0015939000000000 ] - [ 0.0012744000000000, 0.0004576000000000, 0.0015964200000000 ] - [ -0.0013506000000000, -0.0002052900000000, -0.0021616300000000 ] - [ -0.0008006000000000, 0.0000233200000000, -0.0024883200000000 ] - [ -0.0026083800000000, -0.0007322100000000, -0.0008161900000000 ] - [ -0.0025997600000000, -0.0007369000000000, -0.0008282200000000 ] - [ -0.0007656900000000, -0.0000782700000000, -0.0024060000000000 ] - [ -0.0007487000000000, -0.0001101600000000, -0.0024140000000000 ] - [ -0.0031272000000000, 0.0011059300000000, -0.0010160600000000 ] - [ -0.0025245600000000, 0.0005954900000000, -0.0007486400000000 ] - [ 0.0016582800000000, 0.0007405200000000, 0.0008415800000000 ] - [ 0.0016662500000000, 0.0007379600000000, 0.0008525400000000 ] - [ 0.0030162800000000, 0.0011379100000000, 0.0013458100000000 ] - [ 0.0011960800000000, 0.0001178700000000, -0.0001419000000000 ] - [ 0.0014043300000000, -0.0004078400000000, -0.0006256400000000 ] - [ 0.0013287200000000, -0.0004787900000000, -0.0001373800000000 ] - [ 0.0031294200000000, -0.0012265800000000, 0.0029043800000000 ] - [ 0.0031387700000000, -0.0012453700000000, 0.0029705800000000 ] - [ 0.0008482000000000, -0.0010244800000000, 0.0013324000000000 ] - [ 0.0014001000000000, -0.0009900100000000, 0.0010409400000000 ] - [ 0.0013982800000000, -0.0000144900000000, -0.0000408700000000 ] - [ 0.0014000400000000, -0.0000144500000000, -0.0000295200000000 ] - [ 0.0013577100000000, 0.0004617900000000, -0.0001000600000000 ] - [ 0.0013432700000000, 0.0004658500000000, -0.0000713500000000 ] - [ 0.0030739300000000, 0.0011930700000000, 0.0029413900000000 ] - [ 0.0030581500000000, 0.0011634100000000, 0.0030879300000000 ] - [ 0.0035014900000000, 0.0024310300000000, -0.0064704100000000 ] - [ -0.0015212000000000, -0.0013243100000000, -0.0009337000000000 ] - [ -0.0013680200000000, 0.0012966500000000, -0.0011748900000000 ] - [ -0.0013685100000000, 0.0012981100000000, -0.0011786000000000 ] - [ 0.0012748400000000, -0.0052142800000000, 0.0000611500000000 ] - [ -0.0007797600000000, 0.0001457600000000, -0.0011976500000000 ] - [ -0.0014035400000000, -0.0003779200000000, -0.0002624100000000 ] - [ -0.0013647200000000, -0.0002821300000000, -0.0003035800000000 ] - [ -0.0009327900000000, -0.0004958800000000, -0.0010244700000000 ] - [ -0.0009361800000000, -0.0005056000000000, -0.0010285700000000 ] - [ -0.0013948300000000, 0.0003759400000000, -0.0002684100000000 ] - [ -0.0013865500000000, 0.0002419800000000, -0.0003067700000000 ] - [ -0.0018263300000000, -0.0013163300000000, -0.0002041900000000 ] - [ -0.0022577000000000, -0.0012295100000000, -0.0005311600000000 ] - [ -0.0019842400000000, -0.0007667000000000, 0.0010873600000000 ] - [ -0.0019812500000000, -0.0007619200000000, 0.0010609300000000 ] - [ -0.0022898100000000, 0.0012021800000000, -0.0005234600000000 ] - [ -0.0022971100000000, 0.0011797500000000, -0.0005087400000000 ] - [ -0.0015337400000000, 0.0010126800000000, 0.0008260700000000 ] - [ -0.0020508600000000, 0.0006686500000000, 0.0010833600000000 ] - [ -0.0004871600000000, 0.0009987800000000, 0.0002067100000000 ] - [ -0.0004923700000000, 0.0009968200000000, 0.0001949200000000 ] - [ 0.0008822200000000, -0.0001153400000000, 0.0012703100000000 ] - [ -0.0003346300000000, -0.0010009400000000, 0.0002220700000000 ]- atom: 19 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ -0.0024869200000000, -0.0006403200000000, 0.0009561400000000 ] - [ -0.0010511700000000, -0.0012902300000000, 0.0003856500000000 ] - [ 0.0003981700000000, -0.0005982900000000, 0.0000333100000000 ] - [ 0.0001627200000000, -0.0004908500000000, -0.0000587100000000 ] - [ 0.0006568600000000, 0.0004831400000000, 0.0008678000000000 ] - [ 0.0006567800000000, 0.0004958100000000, 0.0008679500000000 ] - [ 0.0003871700000000, 0.0005963500000000, 0.0000112400000000 ] - [ 0.0002918000000000, 0.0003934000000000, -0.0000428300000000 ] - [ -0.0006231300000000, -0.0009030300000000, -0.0002054300000000 ] - [ -0.0006461100000000, -0.0009196800000000, -0.0001872200000000 ] - [ 0.0014254800000000, -0.0010596100000000, 0.0006206100000000 ] - [ -0.0000371200000000, -0.0007380200000000, -0.0000449100000000 ] - [ -0.0000380600000000, 0.0005749400000000, -0.0001982000000000 ] - [ -0.0002784500000000, 0.0002045000000000, 0.0011977700000000 ] - [ -0.0002272200000000, 0.0007520000000000, 0.0009947400000000 ] - [ -0.0002334000000000, 0.0007791300000000, 0.0010207700000000 ] - [ 0.0037734300000000, 0.0022369100000000, -0.0006396400000000 ] - [ 0.0035356400000000, 0.0021910500000000, -0.0008084600000000 ] - [ 0.0353040500000000, -0.0014493300000000, -0.0018276000000000 ] - [ 0.0026046800000000, 0.0001343900000000, 0.0007898700000000 ] - [ 0.0035527900000000, -0.0021484000000000, -0.0008481000000000 ] - [ 0.0035687700000000, -0.0022574800000000, -0.0006871500000000 ] - [ 0.0023405600000000, -0.0001096300000000, 0.0006975800000000 ] - [ 0.0023392900000000, -0.0001175000000000, 0.0006996200000000 ] - [ -0.0042012100000000, 0.0012467100000000, 0.0021509900000000 ] - [ -0.0015221900000000, -0.0001791900000000, 0.0003435700000000 ] - [ 0.0003714900000000, -0.0023907000000000, -0.0013938400000000 ] - [ 0.0004255600000000, -0.0024068300000000, -0.0014141600000000 ] - [ -0.0013256600000000, 0.0002028100000000, 0.0003673000000000 ] - [ -0.0013203200000000, 0.0001604500000000, 0.0004049600000000 ] - [ -0.0006777900000000, 0.0008597500000000, -0.0032791500000000 ] - [ 0.0001945600000000, 0.0021590100000000, -0.0012150900000000 ] - [ -0.0087591000000000, 0.0054996100000000, -0.0008375600000000 ] - [ -0.0054835200000000, 0.0015154000000000, -0.0038187300000000 ] - [ -0.0009953000000000, 0.0005585600000000, -0.0009177700000000 ] - [ -0.0009777700000000, 0.0006429000000000, -0.0004051900000000 ] - [ 0.0010246800000000, 0.0013231300000000, 0.0023199000000000 ] - [ 0.0010051200000000, 0.0013329600000000, 0.0023661900000000 ] - [ -0.0052689200000000, -0.0014144900000000, -0.0038414500000000 ] - [ -0.0052680600000000, -0.0014134400000000, -0.0038556400000000 ] - [ -0.0009182500000000, -0.0006308700000000, -0.0004285200000000 ] - [ -0.0009238300000000, -0.0006277700000000, -0.0004661200000000 ] - [ -0.0057845200000000, 0.0052687400000000, -0.0064236400000000 ] - [ -0.0006751200000000, 0.0016366400000000, -0.0020682400000000 ] - [ 0.0009677000000000, -0.0012185500000000, 0.0026078300000000 ] - [ 0.0009042500000000, -0.0012920500000000, 0.0022763500000000 ] - [ -0.0051862000000000, -0.0045900600000000, 0.0057717800000000 ] - [ 0.0037777700000000, 0.0002374400000000, 0.0031404100000000 ] - [ -0.0006428000000000, -0.0015083900000000, -0.0021023400000000 ] - [ -0.0006437300000000, -0.0015081700000000, -0.0020991300000000 ] - [ 0.0012416000000000, -0.0004088900000000, 0.0015265500000000 ] - [ 0.0012968500000000, -0.0004862600000000, 0.0016403700000000 ] - [ 0.0037175900000000, -0.0003119000000000, 0.0030806800000000 ] - [ 0.0037121600000000, -0.0003026000000000, 0.0030748100000000 ] - [ 0.0012792000000000, 0.0004457500000000, 0.0015695100000000 ] - [ 0.0012604300000000, 0.0005049500000000, 0.0015668200000000 ] - [ -0.0001677800000000, 0.0003883800000000, -0.0026571400000000 ] - [ -0.0007145100000000, 0.0001635000000000, -0.0023286800000000 ] - [ -0.0025985400000000, -0.0007371200000000, -0.0008239000000000 ] - [ -0.0026070500000000, -0.0007320000000000, -0.0008116300000000 ] - [ -0.0007507400000000, -0.0001065800000000, -0.0024107100000000 ] - [ -0.0007678100000000, -0.0000746800000000, -0.0024028000000000 ] - [ -0.0020791200000000, 0.0003628500000000, -0.0006204300000000 ] - [ -0.0026824200000000, 0.0008738100000000, -0.0008919500000000 ] - [ 0.0016684300000000, 0.0007446100000000, 0.0008764100000000 ] - [ 0.0016604400000000, 0.0007471100000000, 0.0008652500000000 ] - [ -0.0003610200000000, -0.0011575900000000, -0.0015243100000000 ] - [ 0.0016001000000000, -0.0000872100000000, 0.0000722400000000 ] - [ 0.0012898900000000, -0.0005173500000000, 0.0004514900000000 ] - [ 0.0013656200000000, -0.0004473800000000, -0.0000419600000000 ] - [ 0.0031558500000000, -0.0012385500000000, 0.0030547800000000 ] - [ 0.0031462100000000, -0.0012196400000000, 0.0029878300000000 ] - [ 0.0024869500000000, -0.0004647500000000, 0.0003747700000000 ] - [ 0.0019259000000000, -0.0004944500000000, 0.0006758400000000 ] - [ 0.0014003900000000, -0.0000133600000000, -0.0000264100000000 ] - [ 0.0013985900000000, -0.0000134200000000, -0.0000376800000000 ] - [ 0.0013370200000000, 0.0004645200000000, -0.0000788600000000 ] - [ 0.0013513700000000, 0.0004604700000000, -0.0001073400000000 ] - [ 0.0032105800000000, 0.0012723100000000, 0.0030155200000000 ] - [ 0.0032272500000000, 0.0013018600000000, 0.0028704700000000 ] - [ -0.0063315500000000, -0.0051574400000000, 0.0042668400000000 ] - [ -0.0012170000000000, -0.0012727500000000, -0.0014129200000000 ] - [ -0.0013688300000000, 0.0013005800000000, -0.0011715600000000 ] - [ -0.0013683500000000, 0.0012992200000000, -0.0011678000000000 ] - [ -0.0031491200000000, 0.0062906200000000, -0.0021281600000000 ] - [ -0.0010941600000000, 0.0008568100000000, -0.0008495700000000 ] - [ -0.0013796000000000, -0.0002099500000000, -0.0003054700000000 ] - [ -0.0014182900000000, -0.0003049300000000, -0.0002632400000000 ] - [ -0.0009389400000000, -0.0005047000000000, -0.0010210100000000 ] - [ -0.0009355500000000, -0.0004950000000000, -0.0010168800000000 ] - [ -0.0013879500000000, 0.0002119900000000, -0.0002989200000000 ] - [ -0.0013963800000000, 0.0003459300000000, -0.0002606000000000 ] - [ -0.0027528700000000, -0.0010613000000000, -0.0008262400000000 ] - [ -0.0023271500000000, -0.0011472000000000, -0.0004954800000000 ] - [ -0.0019881600000000, -0.0007572100000000, 0.0010634700000000 ] - [ -0.0019913400000000, -0.0007617000000000, 0.0010898500000000 ] - [ -0.0022948400000000, 0.0011756000000000, -0.0005029500000000 ] - [ -0.0022871600000000, 0.0011982000000000, -0.0005179400000000 ] - [ -0.0024378300000000, 0.0005097400000000, 0.0013209600000000 ] - [ -0.0019216500000000, 0.0008556400000000, 0.0010670600000000 ] - [ -0.0004942100000000, 0.0010000800000000, 0.0001903200000000 ] - [ -0.0004890200000000, 0.0010021500000000, 0.0002020400000000 ] - [ -0.0018600100000000, -0.0018769500000000, -0.0008525400000000 ] - [ -0.0006468600000000, -0.0009966700000000, 0.0001737300000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009386300000000, 0.0012915300000000, 0.0012227600000000 ] - [ -0.0006979500000000, 0.0014959900000000, 0.0018958900000000 ] - [ 0.0002950100000000, -0.0004422600000000, -0.0003726400000000 ] - [ 0.0002999700000000, -0.0003557500000000, 0.0002255900000000 ] - [ 0.0006556500000000, 0.0004917700000000, 0.0008390600000000 ] - [ 0.0006616700000000, 0.0004956300000000, 0.0008409900000000 ] - [ 0.0003879600000000, 0.0005621600000000, -0.0003368700000000 ] - [ 0.0004242800000000, 0.0005771800000000, 0.0001657600000000 ] - [ -0.0006432800000000, -0.0008924000000000, -0.0001504800000000 ] - [ -0.0006473700000000, -0.0009077900000000, -0.0003134200000000 ] - [ 0.0004402600000000, 0.0000050500000000, 0.0029334700000000 ] - [ 0.0001296000000000, 0.0002943400000000, -0.0015286200000000 ] - [ -0.0013213700000000, 0.0015860500000000, 0.0009185700000000 ] - [ -0.0008885000000000, 0.0020180700000000, -0.0018392300000000 ] - [ -0.0002413700000000, 0.0007711800000000, 0.0010449500000000 ] - [ -0.0002342200000000, 0.0007666300000000, 0.0009211600000000 ] - [ 0.0034851600000000, 0.0017472200000000, -0.0009111100000000 ] - [ 0.0035815000000000, 0.0024748600000000, -0.0008097000000000 ] - [ 0.0040296300000000, -0.0381086900000000, 0.0059328700000000 ] - [ 0.0023180300000000, 0.0022107100000000, 0.0005686700000000 ] - [ 0.0035593200000000, -0.0025228700000000, -0.0007748900000000 ] - [ 0.0034987000000000, -0.0019944700000000, -0.0007940000000000 ] - [ 0.0023421300000000, -0.0001433000000000, 0.0006698800000000 ] - [ 0.0023343400000000, -0.0000895000000000, 0.0006675000000000 ] - [ -0.0007791800000000, -0.0046735300000000, 0.0006691300000000 ] - [ -0.0015268700000000, 0.0012585500000000, 0.0002155900000000 ] - [ 0.0004326400000000, -0.0025412100000000, -0.0014210100000000 ] - [ 0.0004129800000000, -0.0022804100000000, -0.0014699900000000 ] - [ -0.0013246500000000, 0.0000691500000000, 0.0003336200000000 ] - [ -0.0013070200000000, 0.0002628200000000, 0.0003408300000000 ] - [ 0.0014258500000000, -0.0024737800000000, -0.0014309100000000 ] - [ 0.0006206100000000, 0.0037152500000000, -0.0015892500000000 ] - [ -0.0089018000000000, 0.0072055100000000, -0.0005979000000000 ] - [ -0.0054828500000000, 0.0006270700000000, -0.0034640500000000 ] - [ -0.0008892900000000, 0.0009332600000000, -0.0010851500000000 ] - [ -0.0011020200000000, 0.0004001500000000, -0.0003041600000000 ] - [ 0.0010095200000000, 0.0013849200000000, 0.0022837000000000 ] - [ 0.0010154800000000, 0.0012624200000000, 0.0024381200000000 ] - [ -0.0052692800000000, -0.0013994200000000, -0.0038571600000000 ] - [ -0.0052664200000000, -0.0014206700000000, -0.0038276600000000 ] - [ -0.0009152500000000, -0.0005696100000000, -0.0005266900000000 ] - [ -0.0009372900000000, -0.0006756700000000, -0.0004033200000000 ] - [ -0.0037653100000000, 0.0056779500000000, -0.0032742900000000 ] - [ -0.0004746600000000, 0.0006330800000000, -0.0026833000000000 ] - [ 0.0008028800000000, -0.0010843300000000, 0.0018401100000000 ] - [ 0.0011163200000000, -0.0014777900000000, 0.0024677400000000 ] - [ 0.0083835300000000, 0.0041077300000000, 0.0026949400000000 ] - [ 0.0035838600000000, -0.0006191900000000, 0.0025338100000000 ] - [ -0.0006388400000000, -0.0014994500000000, -0.0020857800000000 ] - [ -0.0006440000000000, -0.0015296400000000, -0.0020799800000000 ] - [ 0.0012679800000000, -0.0002303300000000, 0.0016807800000000 ] - [ 0.0012397200000000, -0.0006817600000000, 0.0015894200000000 ] - [ 0.0037079600000000, -0.0003031100000000, 0.0030943500000000 ] - [ 0.0037177300000000, -0.0003231200000000, 0.0030950000000000 ] - [ 0.0012386600000000, 0.0005966900000000, 0.0016704700000000 ] - [ 0.0012888800000000, 0.0004024900000000, 0.0015601000000000 ] - [ -0.0003588500000000, 0.0006292300000000, -0.0018939600000000 ] - [ -0.0010640100000000, -0.0004134200000000, -0.0025099100000000 ] - [ -0.0025808200000000, -0.0006575700000000, -0.0007500400000000 ] - [ -0.0026234900000000, -0.0007944400000000, -0.0008547100000000 ] - [ -0.0007733200000000, -0.0000514200000000, -0.0023735300000000 ] - [ -0.0007415300000000, -0.0001278700000000, -0.0024234400000000 ] - [ -0.0028738300000000, 0.0010528400000000, -0.0003092300000000 ] - [ -0.0023819200000000, 0.0004143500000000, -0.0008663800000000 ] - [ 0.0016548000000000, 0.0007516200000000, 0.0008604200000000 ] - [ 0.0016677500000000, 0.0007430900000000, 0.0008878700000000 ] - [ 0.0019893900000000, 0.0018744800000000, 0.0002379700000000 ] - [ 0.0016284000000000, -0.0007519600000000, 0.0003039900000000 ] - [ 0.0013519900000000, -0.0002828000000000, -0.0004299100000000 ] - [ 0.0014593100000000, -0.0006966500000000, 0.0000334100000000 ] - [ 0.0031421000000000, -0.0011952100000000, 0.0029278200000000 ] - [ 0.0031589800000000, -0.0012746100000000, 0.0030467400000000 ] - [ 0.0020520100000000, 0.0000525500000000, 0.0000504600000000 ] - [ 0.0013414200000000, -0.0014191500000000, 0.0013338900000000 ] - [ 0.0014073500000000, -0.0000024300000000, -0.0000267900000000 ] - [ 0.0014029300000000, -0.0000182000000000, -0.0000063700000000 ] - [ 0.0013466300000000, 0.0004955100000000, -0.0001180900000000 ] - [ 0.0013423200000000, 0.0004230400000000, -0.0000364500000000 ] - [ 0.0031719900000000, 0.0013940800000000, 0.0027642000000000 ] - [ 0.0030523000000000, 0.0010519700000000, 0.0031376400000000 ] - [ 0.0038062100000000, 0.0023722000000000, -0.0067634000000000 ] - [ -0.0015030100000000, -0.0020058600000000, -0.0015422100000000 ] - [ -0.0013692900000000, 0.0013162900000000, -0.0011395900000000 ] - [ -0.0013644700000000, 0.0012927700000000, -0.0011655600000000 ] - [ -0.0071011600000000, 0.0162927800000000, -0.0043622400000000 ] - [ -0.0009764900000000, -0.0009248800000000, -0.0012993700000000 ] - [ -0.0014137800000000, -0.0002268700000000, -0.0000331000000000 ] - [ -0.0013786600000000, -0.0003921700000000, -0.0004296700000000 ] - [ -0.0009376600000000, -0.0004889600000000, -0.0009983400000000 ] - [ -0.0009391200000000, -0.0005043200000000, -0.0010125700000000 ] - [ -0.0013451600000000, 0.0003257400000000, -0.0001374500000000 ] - [ -0.0014126900000000, 0.0002408500000000, -0.0003643500000000 ] - [ -0.0027875200000000, -0.0001192800000000, 0.0001067800000000 ] - [ -0.0020959200000000, -0.0016667000000000, -0.0006318400000000 ] - [ -0.0020264500000000, -0.0007175300000000, 0.0011054800000000 ] - [ -0.0019684100000000, -0.0008080500000000, 0.0010864500000000 ] - [ -0.0022821300000000, 0.0012172100000000, -0.0004915700000000 ] - [ -0.0023003500000000, 0.0011582300000000, -0.0005059900000000 ] - [ -0.0017100400000000, 0.0015016600000000, 0.0012635300000000 ] - [ -0.0021692800000000, 0.0004028100000000, 0.0010065200000000 ] - [ -0.0004871300000000, 0.0010173000000000, 0.0001933900000000 ] - [ -0.0004932900000000, 0.0009827200000000, 0.0002293200000000 ] - [ -0.0000398000000000, 0.0040122300000000, 0.0031291600000000 ] - [ -0.0002239400000000, -0.0015605400000000, 0.0003477500000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003741100000000, -0.0022644400000000, 0.0005352500000000 ] - [ 0.0020102600000000, -0.0024713900000000, -0.0001425300000000 ] - [ 0.0003981200000000, -0.0005297000000000, 0.0003461700000000 ] - [ 0.0003930100000000, -0.0006137800000000, -0.0002505800000000 ] - [ 0.0006614000000000, 0.0004895900000000, 0.0009138400000000 ] - [ 0.0006553800000000, 0.0004859300000000, 0.0009120200000000 ] - [ 0.0003053400000000, 0.0004099800000000, 0.0003101400000000 ] - [ 0.0002683500000000, 0.0003928600000000, -0.0001905700000000 ] - [ -0.0006520700000000, -0.0009184400000000, -0.0002374200000000 ] - [ -0.0006480200000000, -0.0009035500000000, -0.0000746400000000 ] - [ -0.0009086400000000, -0.0015332800000000, -0.0009095000000000 ] - [ -0.0005983100000000, -0.0018219700000000, 0.0035504000000000 ] - [ 0.0000278600000000, 0.0002242500000000, -0.0013021800000000 ] - [ -0.0004111100000000, -0.0002022900000000, 0.0014491700000000 ] - [ -0.0002267500000000, 0.0007607700000000, 0.0009880800000000 ] - [ -0.0002340300000000, 0.0007656700000000, 0.0011115300000000 ] - [ 0.0036071300000000, 0.0026555800000000, -0.0005930200000000 ] - [ 0.0035106400000000, 0.0019284100000000, -0.0006972700000000 ] - [ 0.0007857500000000, 0.0378338100000000, -0.0044751300000000 ] - [ 0.0023634600000000, -0.0019871500000000, 0.0008429500000000 ] - [ 0.0035333200000000, -0.0018807300000000, -0.0007311800000000 ] - [ 0.0035935400000000, -0.0024081000000000, -0.0007111800000000 ] - [ 0.0023358900000000, -0.0000823100000000, 0.0007400300000000 ] - [ 0.0023437400000000, -0.0001360100000000, 0.0007424100000000 ] - [ -0.0018548600000000, 0.0043128800000000, 0.0001166400000000 ] - [ -0.0011078800000000, -0.0016068800000000, 0.0005626100000000 ] - [ 0.0004150000000000, -0.0022512100000000, -0.0013718000000000 ] - [ 0.0004347300000000, -0.0025115600000000, -0.0013234000000000 ] - [ -0.0013123100000000, 0.0002823700000000, 0.0004467700000000 ] - [ -0.0013298400000000, 0.0000890700000000, 0.0004399900000000 ] - [ -0.0005770100000000, 0.0072507000000000, -0.0013641200000000 ] - [ 0.0002288300000000, 0.0010784800000000, -0.0012005100000000 ] - [ -0.0015205000000000, -0.0044781900000000, -0.0072332100000000 ] - [ -0.0050584300000000, 0.0021972200000000, -0.0042396300000000 ] - [ -0.0009563300000000, 0.0003174100000000, 0.0001652200000000 ] - [ -0.0007427900000000, 0.0008496700000000, -0.0006143300000000 ] - [ 0.0010081600000000, 0.0012524400000000, 0.0024453800000000 ] - [ 0.0010021600000000, 0.0013749900000000, 0.0022914200000000 ] - [ -0.0052693800000000, -0.0014271200000000, -0.0038494800000000 ] - [ -0.0052722300000000, -0.0014060400000000, -0.0038790600000000 ] - [ -0.0009288400000000, -0.0006804200000000, -0.0003929500000000 ] - [ -0.0009069100000000, -0.0005748200000000, -0.0005161800000000 ] - [ 0.0025327800000000, -0.0026725100000000, -0.0008885300000000 ] - [ -0.0008122300000000, 0.0023771500000000, -0.0015297900000000 ] - [ 0.0012143600000000, -0.0015533200000000, 0.0028899500000000 ] - [ 0.0009020700000000, -0.0011606200000000, 0.0022608800000000 ] - [ -0.0008938400000000, -0.0034907300000000, 0.0034315300000000 ] - [ 0.0038460400000000, 0.0012296700000000, 0.0036150200000000 ] - [ -0.0006474800000000, -0.0015129300000000, -0.0021240900000000 ] - [ -0.0006422800000000, -0.0014829400000000, -0.0021296500000000 ] - [ 0.0012680100000000, -0.0007299800000000, 0.0014807000000000 ] - [ 0.0012948300000000, -0.0002802100000000, 0.0015732600000000 ] - [ 0.0037231000000000, -0.0003091300000000, 0.0030541800000000 ] - [ 0.0037132800000000, -0.0002890700000000, 0.0030535200000000 ] - [ 0.0012960900000000, 0.0003646300000000, 0.0014919600000000 ] - [ 0.0012459400000000, 0.0005584800000000, 0.0016017300000000 ] - [ -0.0011524300000000, -0.0004404700000000, -0.0029226700000000 ] - [ -0.0004514200000000, 0.0005966200000000, -0.0023070200000000 ] - [ -0.0026249600000000, -0.0008109000000000, -0.0008897900000000 ] - [ -0.0025825400000000, -0.0006744400000000, -0.0007852100000000 ] - [ -0.0007419900000000, -0.0001339600000000, -0.0024441000000000 ] - [ -0.0007738500000000, -0.0000575200000000, -0.0023944500000000 ] - [ -0.0023314800000000, 0.0004159600000000, -0.0013261800000000 ] - [ -0.0028240000000000, 0.0010545000000000, -0.0007748900000000 ] - [ 0.0016727700000000, 0.0007318000000000, 0.0008563300000000 ] - [ 0.0016598200000000, 0.0007404500000000, 0.0008291100000000 ] - [ 0.0007859400000000, -0.0018425500000000, -0.0003186800000000 ] - [ 0.0011701300000000, 0.0007816600000000, -0.0003705200000000 ] - [ 0.0013443200000000, -0.0006450900000000, 0.0002477800000000 ] - [ 0.0012362400000000, -0.0002315100000000, -0.0002131600000000 ] - [ 0.0031443800000000, -0.0012710800000000, 0.0030311200000000 ] - [ 0.0031277000000000, -0.0011915700000000, 0.0029127600000000 ] - [ 0.0012780200000000, -0.0015354800000000, 0.0016622300000000 ] - [ 0.0019858100000000, -0.0000665600000000, 0.0003826400000000 ] - [ 0.0013930000000000, -0.0000239000000000, -0.0000383800000000 ] - [ 0.0013973100000000, -0.0000083000000000, -0.0000588000000000 ] - [ 0.0013485700000000, 0.0004319500000000, -0.0000625300000000 ] - [ 0.0013529000000000, 0.0005039800000000, -0.0001439900000000 ] - [ 0.0031149100000000, 0.0010726300000000, 0.0031944900000000 ] - [ 0.0032339700000000, 0.0014133800000000, 0.0028213500000000 ] - [ -0.0066527800000000, -0.0050225500000000, 0.0045410700000000 ] - [ -0.0012320600000000, -0.0005952300000000, -0.0008084600000000 ] - [ -0.0013669400000000, 0.0012818100000000, -0.0012073600000000 ] - [ -0.0013718400000000, 0.0013048900000000, -0.0011812400000000 ] - [ 0.0049626600000000, -0.0147431400000000, 0.0021527200000000 ] - [ -0.0008867300000000, 0.0019424800000000, -0.0007407800000000 ] - [ -0.0013698000000000, -0.0003599900000000, -0.0005344900000000 ] - [ -0.0014046900000000, -0.0001964100000000, -0.0001381500000000 ] - [ -0.0009333900000000, -0.0005133300000000, -0.0010457200000000 ] - [ -0.0009318800000000, -0.0004979400000000, -0.0010314800000000 ] - [ -0.0014379200000000, 0.0002616600000000, -0.0004301300000000 ] - [ -0.0013706700000000, 0.0003470400000000, -0.0002040300000000 ] - [ -0.0017973400000000, -0.0022529700000000, -0.0011352800000000 ] - [ -0.0024883500000000, -0.0007103500000000, -0.0003945600000000 ] - [ -0.0019471600000000, -0.0008053400000000, 0.0010450100000000 ] - [ -0.0020052000000000, -0.0007150900000000, 0.0010644700000000 ] - [ -0.0023021800000000, 0.0011587700000000, -0.0005355000000000 ] - [ -0.0022836100000000, 0.0012181900000000, -0.0005217400000000 ] - [ -0.0022633500000000, 0.0000232500000000, 0.0008856300000000 ] - [ -0.0018042900000000, 0.0011198300000000, 0.0011429300000000 ] - [ -0.0004953300000000, 0.0009811800000000, 0.0002013700000000 ] - [ -0.0004891900000000, 0.0010157900000000, 0.0001656300000000 ] - [ -0.0009127300000000, -0.0059242800000000, -0.0026125400000000 ] - [ -0.0007590000000000, -0.0004390400000000, 0.0000443600000000 ]- atom: 19 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ -0.0000989300000000, -0.0013232600000000, -0.0047297600000000 ] - [ 0.0010150400000000, -0.0012502500000000, -0.0023924500000000 ] - [ 0.0003624800000000, -0.0010018400000000, 0.0006047800000000 ] - [ 0.0002570800000000, -0.0000705600000000, 0.0006201200000000 ] - [ 0.0006712800000000, 0.0004566700000000, 0.0016697000000000 ] - [ 0.0006737500000000, 0.0004701400000000, 0.0016647900000000 ] - [ 0.0002708800000000, 0.0001845900000000, 0.0007599900000000 ] - [ 0.0004490900000000, 0.0008320600000000, 0.0006334500000000 ] - [ -0.0006289800000000, -0.0007688400000000, 0.0004698400000000 ] - [ -0.0006429200000000, -0.0009786900000000, 0.0005034600000000 ] - [ 0.0002648700000000, 0.0012549900000000, 0.0016052200000000 ] - [ -0.0000322100000000, -0.0022899800000000, 0.0009363800000000 ] - [ -0.0016112000000000, 0.0025128700000000, 0.0003819000000000 ] - [ -0.0005074700000000, -0.0007602800000000, 0.0009706100000000 ] - [ -0.0002559600000000, 0.0008349600000000, 0.0016810200000000 ] - [ -0.0002299400000000, 0.0007188200000000, 0.0017027000000000 ] - [ 0.0037459100000000, 0.0024788600000000, 0.0008246000000000 ] - [ 0.0035323500000000, 0.0021776800000000, -0.0004310900000000 ] - [ 0.0059684400000000, 0.0053695800000000, -0.0283449500000000 ] - [ 0.0022624600000000, -0.0000251500000000, -0.0010540500000000 ] - [ 0.0034530200000000, -0.0021476400000000, 0.0003175900000000 ] - [ 0.0035911700000000, -0.0022363300000000, -0.0003047100000000 ] - [ 0.0023470800000000, -0.0000772500000000, 0.0015241800000000 ] - [ 0.0023450200000000, -0.0000751500000000, 0.0014552300000000 ] - [ -0.0025646300000000, -0.0006772500000000, 0.0022042700000000 ] - [ -0.0012319900000000, -0.0001345000000000, -0.0003034800000000 ] - [ 0.0004083800000000, -0.0023838700000000, -0.0002624200000000 ] - [ 0.0004477300000000, -0.0023816900000000, -0.0004788700000000 ] - [ -0.0013044000000000, 0.0001786800000000, 0.0014707900000000 ] - [ -0.0013343100000000, 0.0001779400000000, 0.0012686900000000 ] - [ 0.0019625300000000, 0.0023089200000000, 0.0012547400000000 ] - [ 0.0003399600000000, 0.0021643200000000, -0.0018381400000000 ] - [ -0.0089500600000000, 0.0056641300000000, 0.0012262700000000 ] - [ -0.0051683700000000, 0.0016643500000000, -0.0034611600000000 ] - [ -0.0008868400000000, 0.0002983300000000, -0.0007962800000000 ] - [ -0.0008836800000000, 0.0007923200000000, -0.0004241500000000 ] - [ 0.0010378500000000, 0.0013371100000000, 0.0019668200000000 ] - [ 0.0010137800000000, 0.0014316600000000, 0.0020713500000000 ] - [ -0.0052830200000000, -0.0014575400000000, -0.0042361100000000 ] - [ -0.0052937600000000, -0.0014444100000000, -0.0041897400000000 ] - [ -0.0009089100000000, -0.0006030400000000, -0.0008089500000000 ] - [ -0.0008872000000000, -0.0005421400000000, -0.0007353000000000 ] - [ 0.0042294900000000, -0.0009790400000000, 0.0037524800000000 ] - [ -0.0006513700000000, 0.0018050800000000, -0.0012713300000000 ] - [ 0.0011026900000000, -0.0015818900000000, 0.0016977900000000 ] - [ 0.0008912200000000, -0.0011499200000000, 0.0023016700000000 ] - [ -0.0000124300000000, -0.0005156300000000, 0.0057389600000000 ] - [ 0.0036769500000000, 0.0005581400000000, 0.0039013500000000 ] - [ -0.0006839900000000, -0.0012999400000000, -0.0026110200000000 ] - [ -0.0006868600000000, -0.0013273600000000, -0.0025469600000000 ] - [ 0.0015702600000000, -0.0002544500000000, 0.0008613100000000 ] - [ 0.0012075500000000, -0.0005209700000000, 0.0015065200000000 ] - [ 0.0037739100000000, -0.0001403900000000, 0.0026221500000000 ] - [ 0.0037737200000000, -0.0001620800000000, 0.0026684100000000 ] - [ 0.0011947200000000, 0.0004172000000000, 0.0011220700000000 ] - [ 0.0012603200000000, 0.0003885300000000, 0.0013252900000000 ] - [ -0.0005751700000000, 0.0006261700000000, -0.0025521400000000 ] - [ -0.0010081200000000, -0.0003865300000000, -0.0022953000000000 ] - [ -0.0025881600000000, -0.0008235800000000, -0.0011483800000000 ] - [ -0.0026430400000000, -0.0009110100000000, -0.0011199100000000 ] - [ -0.0007805400000000, -0.0001157900000000, -0.0026526900000000 ] - [ -0.0007409100000000, -0.0001829600000000, -0.0026312100000000 ] - [ -0.0027535600000000, 0.0012455200000000, -0.0013370200000000 ] - [ -0.0024029100000000, 0.0004465300000000, -0.0007137000000000 ] - [ 0.0017305300000000, 0.0005879000000000, 0.0004465800000000 ] - [ 0.0017089300000000, 0.0006273800000000, 0.0005062300000000 ] - [ 0.0037101600000000, 0.0001430500000000, 0.0022289200000000 ] - [ 0.0014923000000000, 0.0000973300000000, 0.0004099100000000 ] - [ 0.0014926000000000, -0.0007050800000000, -0.0003760700000000 ] - [ 0.0012985400000000, -0.0003069200000000, -0.0000828800000000 ] - [ 0.0029874600000000, -0.0012711900000000, 0.0025677600000000 ] - [ 0.0030475200000000, -0.0011553500000000, 0.0026905900000000 ] - [ 0.0012594900000000, -0.0015403900000000, 0.0013593800000000 ] - [ 0.0018539500000000, -0.0005239900000000, 0.0011614500000000 ] - [ 0.0012917300000000, -0.0000703700000000, -0.0004084100000000 ] - [ 0.0013112100000000, -0.0000577200000000, -0.0003697100000000 ] - [ 0.0014624000000000, 0.0004494500000000, -0.0004176900000000 ] - [ 0.0014185600000000, 0.0005332500000000, -0.0003546200000000 ] - [ 0.0029034000000000, 0.0010375600000000, 0.0026567200000000 ] - [ 0.0032203800000000, 0.0014030100000000, 0.0028754000000000 ] - [ -0.0076204900000000, -0.0066434300000000, 0.0071978200000000 ] - [ -0.0011819100000000, -0.0015855500000000, 0.0000958500000000 ] - [ -0.0013996500000000, 0.0011919200000000, -0.0016189400000000 ] - [ -0.0013953000000000, 0.0011783400000000, -0.0015977700000000 ] - [ 0.0001228200000000, -0.0029812900000000, 0.0006887400000000 ] - [ -0.0013667500000000, 0.0000073400000000, 0.0001967200000000 ] - [ -0.0014919900000000, 0.0000330400000000, -0.0007195000000000 ] - [ -0.0013951700000000, -0.0005104400000000, -0.0005587900000000 ] - [ -0.0008756300000000, -0.0005951000000000, -0.0013891400000000 ] - [ -0.0008739500000000, -0.0005994900000000, -0.0013765700000000 ] - [ -0.0013758200000000, 0.0004630800000000, -0.0007238700000000 ] - [ -0.0014008700000000, 0.0001560000000000, -0.0005885400000000 ] - [ -0.0017340300000000, -0.0008343000000000, -0.0022532900000000 ] - [ -0.0021986800000000, -0.0013274400000000, -0.0003570300000000 ] - [ -0.0018454100000000, -0.0006901400000000, 0.0006765800000000 ] - [ -0.0018737500000000, -0.0007673000000000, 0.0008331500000000 ] - [ -0.0023254500000000, 0.0012239000000000, -0.0008273600000000 ] - [ -0.0023352600000000, 0.0011956200000000, -0.0007555300000000 ] - [ -0.0017642800000000, 0.0008247400000000, 0.0005118000000000 ] - [ -0.0020474100000000, 0.0006435100000000, 0.0011046700000000 ] - [ -0.0005524800000000, 0.0010249000000000, -0.0002174300000000 ] - [ -0.0005325400000000, 0.0010389600000000, -0.0001691000000000 ] - [ 0.0009585300000000, 0.0030491300000000, 0.0046820700000000 ] - [ -0.0005528200000000, -0.0005588300000000, 0.0006566900000000 ]- atom: 19 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0014154200000000, 0.0003413200000000, 0.0064754300000000 ] - [ 0.0003084100000000, 0.0002634300000000, 0.0041330700000000 ] - [ 0.0003300300000000, 0.0000327900000000, -0.0006281800000000 ] - [ 0.0004358100000000, -0.0009011100000000, -0.0006443100000000 ] - [ 0.0006456400000000, 0.0005250700000000, 0.0000828700000000 ] - [ 0.0006431000000000, 0.0005112600000000, 0.0000879400000000 ] - [ 0.0004217400000000, 0.0007855700000000, -0.0007855900000000 ] - [ 0.0002433100000000, 0.0001389100000000, -0.0006587100000000 ] - [ -0.0006660800000000, -0.0010421300000000, -0.0008567100000000 ] - [ -0.0006520800000000, -0.0008313100000000, -0.0008906900000000 ] - [ -0.0007350300000000, -0.0027957000000000, 0.0004236800000000 ] - [ -0.0004413800000000, 0.0007639000000000, 0.0011078100000000 ] - [ 0.0003159600000000, -0.0006966100000000, -0.0007674400000000 ] - [ -0.0007916600000000, 0.0025661200000000, -0.0013577700000000 ] - [ -0.0002120600000000, 0.0006971900000000, 0.0003513100000000 ] - [ -0.0002380900000000, 0.0008131000000000, 0.0003296500000000 ] - [ 0.0033457000000000, 0.0019206600000000, -0.0023364500000000 ] - [ 0.0035606600000000, 0.0022257300000000, -0.0010727000000000 ] - [ -0.0014100500000000, -0.0049177100000000, 0.0295192500000000 ] - [ 0.0024148200000000, 0.0002477700000000, 0.0024596300000000 ] - [ 0.0036398300000000, -0.0022546400000000, -0.0018211100000000 ] - [ 0.0035018500000000, -0.0021668200000000, -0.0012009900000000 ] - [ 0.0023313800000000, -0.0001478400000000, -0.0001145300000000 ] - [ 0.0023335400000000, -0.0001499300000000, -0.0000454600000000 ] - [ -0.0000514400000000, 0.0003189600000000, -0.0014110000000000 ] - [ -0.0014028800000000, -0.0002186600000000, 0.0010875200000000 ] - [ 0.0004396400000000, -0.0024084400000000, -0.0025304800000000 ] - [ 0.0004000000000000, -0.0024103100000000, -0.0023133200000000 ] - [ -0.0013321600000000, 0.0001737200000000, -0.0006894200000000 ] - [ -0.0013022700000000, 0.0001742900000000, -0.0004877300000000 ] - [ -0.0011092700000000, 0.0024818500000000, -0.0040426200000000 ] - [ 0.0005083700000000, 0.0026273800000000, -0.0009571500000000 ] - [ -0.0014818400000000, -0.0029582600000000, -0.0090150000000000 ] - [ -0.0053685400000000, 0.0011638700000000, -0.0042483500000000 ] - [ -0.0009591700000000, 0.0009538200000000, -0.0001247000000000 ] - [ -0.0009597500000000, 0.0004568000000000, -0.0004968500000000 ] - [ 0.0009800500000000, 0.0013005700000000, 0.0027619000000000 ] - [ 0.0010041800000000, 0.0012055100000000, 0.0026570900000000 ] - [ -0.0052548400000000, -0.0013691900000000, -0.0034722000000000 ] - [ -0.0052441500000000, -0.0013823200000000, -0.0035185700000000 ] - [ -0.0009349900000000, -0.0006469000000000, -0.0001108200000000 ] - [ -0.0009567000000000, -0.0007076900000000, -0.0001844000000000 ] - [ -0.0053798600000000, 0.0039213300000000, -0.0078743300000000 ] - [ -0.0006351100000000, 0.0012083500000000, -0.0029362900000000 ] - [ 0.0009157800000000, -0.0010567200000000, 0.0030334700000000 ] - [ 0.0011270000000000, -0.0014867700000000, 0.0024276100000000 ] - [ 0.0074927600000000, 0.0011473900000000, 0.0004040000000000 ] - [ 0.0037541500000000, 0.0000552500000000, 0.0022474600000000 ] - [ -0.0006020100000000, -0.0017127500000000, -0.0015988700000000 ] - [ -0.0005990100000000, -0.0016853200000000, -0.0016629900000000 ] - [ 0.0009612600000000, -0.0007078300000000, 0.0023016600000000 ] - [ 0.0013270600000000, -0.0004408000000000, 0.0016541700000000 ] - [ 0.0036576300000000, -0.0004709400000000, 0.0035246100000000 ] - [ 0.0036577800000000, -0.0004493300000000, 0.0034784900000000 ] - [ 0.0013399800000000, 0.0005447300000000, 0.0020390200000000 ] - [ 0.0012746600000000, 0.0005734000000000, 0.0018364900000000 ] - [ -0.0009399400000000, -0.0004400200000000, -0.0022700700000000 ] - [ -0.0005074000000000, 0.0005723700000000, -0.0025227600000000 ] - [ -0.0026181600000000, -0.0006453800000000, -0.0004923100000000 ] - [ -0.0025631800000000, -0.0005576400000000, -0.0005209600000000 ] - [ -0.0007354600000000, -0.0000695800000000, -0.0021648700000000 ] - [ -0.0007750200000000, -0.0000025900000000, -0.0021864200000000 ] - [ -0.0024525600000000, 0.0002242600000000, -0.0003013600000000 ] - [ -0.0028028600000000, 0.0010210600000000, -0.0009266300000000 ] - [ 0.0015969800000000, 0.0008960600000000, 0.0012692400000000 ] - [ 0.0016187400000000, 0.0008564000000000, 0.0012094300000000 ] - [ -0.0009866600000000, -0.0001404200000000, -0.0023381500000000 ] - [ 0.0013060100000000, -0.0000663600000000, -0.0004790400000000 ] - [ 0.0012048000000000, -0.0002204400000000, 0.0001940100000000 ] - [ 0.0013969200000000, -0.0006198200000000, -0.0000983300000000 ] - [ 0.0032990400000000, -0.0011937200000000, 0.0033907300000000 ] - [ 0.0032388200000000, -0.0013101800000000, 0.0032676000000000 ] - [ 0.0020678700000000, 0.0000531100000000, 0.0003552900000000 ] - [ 0.0014733800000000, -0.0009603700000000, 0.0005552500000000 ] - [ 0.0015080600000000, 0.0000427900000000, 0.0003412800000000 ] - [ 0.0014885500000000, 0.0000301400000000, 0.0003027200000000 ] - [ 0.0012329100000000, 0.0004768200000000, 0.0002372800000000 ] - [ 0.0012766200000000, 0.0003932200000000, 0.0001744900000000 ] - [ 0.0033827500000000, 0.0014272100000000, 0.0033015800000000 ] - [ 0.0030665100000000, 0.0010628300000000, 0.0030834200000000 ] - [ 0.0047090200000000, 0.0038731100000000, -0.0094200500000000 ] - [ -0.0015539300000000, -0.0010129200000000, -0.0024396900000000 ] - [ -0.0013369100000000, 0.0014048500000000, -0.0007286000000000 ] - [ -0.0013413100000000, 0.0014185300000000, -0.0007498300000000 ] - [ -0.0019946900000000, 0.0039847800000000, -0.0027190800000000 ] - [ -0.0005061000000000, 0.0009945800000000, -0.0022407300000000 ] - [ -0.0012897600000000, -0.0006232200000000, 0.0001520300000000 ] - [ -0.0013879700000000, -0.0000771500000000, -0.0000100500000000 ] - [ -0.0009956400000000, -0.0004059400000000, -0.0006567100000000 ] - [ -0.0009973100000000, -0.0004016600000000, -0.0006692500000000 ] - [ -0.0014068400000000, 0.0001255100000000, 0.0001551700000000 ] - [ -0.0013821400000000, 0.0004316100000000, 0.0000201900000000 ] - [ -0.0028590400000000, -0.0015461000000000, 0.0012344600000000 ] - [ -0.0023862900000000, -0.0010494800000000, -0.0006706700000000 ] - [ -0.0021278700000000, -0.0008332200000000, 0.0014737700000000 ] - [ -0.0020992400000000, -0.0007557300000000, 0.0013165900000000 ] - [ -0.0022595700000000, 0.0011530600000000, -0.0001998700000000 ] - [ -0.0022493800000000, 0.0011817400000000, -0.0002720100000000 ] - [ -0.0022090900000000, 0.0006987100000000, 0.0016383700000000 ] - [ -0.0019261300000000, 0.0008794000000000, 0.0010457200000000 ] - [ -0.0004295800000000, 0.0009735100000000, 0.0006121300000000 ] - [ -0.0004496500000000, 0.0009593800000000, 0.0005637100000000 ] - [ -0.0018749200000000, -0.0048891000000000, -0.0041241200000000 ] - [ -0.0004294900000000, -0.0014380100000000, -0.0002612400000000 ]- atom: 25 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ -0.0018651000000000, -0.0015156500000000, 0.0013164700000000 ] - [ 0.0004557200000000, -0.0011020600000000, 0.0010787700000000 ] - [ 0.0001676000000000, -0.0004750100000000, -0.0016226800000000 ] - [ -0.0020275300000000, -0.0013363600000000, -0.0003542800000000 ] - [ 0.0006575000000000, 0.0004742600000000, 0.0008808500000000 ] - [ 0.0006508500000000, 0.0004818000000000, 0.0008433600000000 ] - [ 0.0003497700000000, 0.0004998600000000, -0.0000046400000000 ] - [ 0.0003504200000000, 0.0004662600000000, -0.0000360200000000 ] - [ -0.0004752200000000, -0.0009131300000000, -0.0002803400000000 ] - [ -0.0007099400000000, -0.0009920100000000, -0.0000681300000000 ] - [ 0.0039025600000000, -0.0012604400000000, 0.0010162900000000 ] - [ 0.0032665500000000, -0.0033250700000000, 0.0009665100000000 ] - [ -0.0006831300000000, 0.0008563100000000, -0.0002662400000000 ] - [ -0.0006120400000000, 0.0007787200000000, 0.0000022700000000 ] - [ -0.0002337200000000, 0.0007610200000000, 0.0010063800000000 ] - [ -0.0002349300000000, 0.0007702400000000, 0.0010123100000000 ] - [ 0.0061396400000000, 0.0032765900000000, 0.0014357800000000 ] - [ 0.0036838200000000, 0.0020261000000000, -0.0008376700000000 ] - [ 0.0052264700000000, 0.0006471200000000, -0.0004461800000000 ] - [ 0.0025436400000000, -0.0000960200000000, 0.0007988800000000 ] - [ 0.0035275400000000, -0.0021779000000000, -0.0007663800000000 ] - [ 0.0035531500000000, -0.0022224100000000, -0.0007531700000000 ] - [ 0.0023458800000000, -0.0001064600000000, 0.0007182000000000 ] - [ 0.0023407100000000, -0.0001242400000000, 0.0006881900000000 ] - [ -0.0476141100000000, -0.0059135000000000, 0.0020656400000000 ] - [ -0.0016546300000000, -0.0001289400000000, 0.0006660800000000 ] - [ 0.0000670800000000, -0.0023198400000000, -0.0012810000000000 ] - [ 0.0004766500000000, -0.0024514100000000, -0.0014398100000000 ] - [ -0.0013139600000000, 0.0001894800000000, 0.0003813200000000 ] - [ -0.0013205300000000, 0.0001660900000000, 0.0003795900000000 ] - [ 0.0005304200000000, 0.0024298300000000, -0.0016309100000000 ] - [ 0.0003599700000000, 0.0022561900000000, -0.0013805400000000 ] - [ -0.0025805100000000, 0.0031504100000000, -0.0043229000000000 ] - [ -0.0052485100000000, 0.0014948400000000, -0.0039709900000000 ] - [ 0.0027063200000000, 0.0035289200000000, 0.0008417300000000 ] - [ -0.0005778000000000, 0.0006331900000000, -0.0003886900000000 ] - [ 0.0011280100000000, 0.0013656300000000, 0.0020744400000000 ] - [ 0.0010674300000000, 0.0013239700000000, 0.0024099000000000 ] - [ -0.0052677600000000, -0.0014134800000000, -0.0038529800000000 ] - [ -0.0052676500000000, -0.0014112000000000, -0.0038464900000000 ] - [ -0.0009226600000000, -0.0006277900000000, -0.0004542700000000 ] - [ -0.0009215300000000, -0.0006231300000000, -0.0004590700000000 ] - [ -0.0005975300000000, 0.0016326300000000, -0.0018654600000000 ] - [ -0.0007008300000000, 0.0016085300000000, -0.0020346000000000 ] - [ 0.0009906900000000, -0.0013128000000000, 0.0023866400000000 ] - [ 0.0009910200000000, -0.0013046600000000, 0.0023500200000000 ] - [ 0.0067178900000000, 0.0004258000000000, 0.0021580900000000 ] - [ 0.0037909800000000, 0.0000676200000000, 0.0029975200000000 ] - [ -0.0006467200000000, -0.0015117900000000, -0.0021266500000000 ] - [ -0.0006441300000000, -0.0015066200000000, -0.0020871800000000 ] - [ 0.0039781000000000, -0.0000661500000000, 0.0015569200000000 ] - [ 0.0013485000000000, -0.0004316200000000, 0.0015368800000000 ] - [ 0.0037211900000000, -0.0003159000000000, 0.0030818000000000 ] - [ 0.0037126400000000, -0.0003025600000000, 0.0030785800000000 ] - [ 0.0012700400000000, 0.0004714500000000, 0.0015771900000000 ] - [ 0.0012645500000000, 0.0004900900000000, 0.0015856700000000 ] - [ 0.0040325600000000, 0.0081193000000000, -0.0026406900000000 ] - [ -0.0004358400000000, 0.0004679100000000, -0.0023854000000000 ] - [ -0.0025248500000000, -0.0006636900000000, -0.0009592100000000 ] - [ -0.0026156300000000, -0.0007025900000000, -0.0007771200000000 ] - [ -0.0007546000000000, -0.0000979700000000, -0.0024093500000000 ] - [ -0.0007612400000000, -0.0000870400000000, -0.0024042100000000 ] - [ -0.0025309600000000, 0.0006654000000000, -0.0008033800000000 ] - [ -0.0026217100000000, 0.0007661700000000, -0.0008199100000000 ] - [ 0.0016999400000000, 0.0007663100000000, 0.0009907000000000 ] - [ 0.0016483400000000, 0.0007668000000000, 0.0008734400000000 ] - [ 0.0036461000000000, 0.0002912900000000, 0.0004292400000000 ] - [ 0.0012200900000000, 0.0000150000000000, -0.0001195600000000 ] - [ 0.0052625700000000, -0.0016338600000000, -0.0022153300000000 ] - [ 0.0010403700000000, -0.0007068400000000, -0.0000522500000000 ] - [ 0.0033228600000000, -0.0013305100000000, 0.0034679800000000 ] - [ 0.0030777400000000, -0.0011894100000000, 0.0029710600000000 ] - [ 0.0016947600000000, -0.0007611000000000, 0.0010774000000000 ] - [ 0.0016719300000000, -0.0006396500000000, 0.0007594800000000 ] - [ 0.0013982800000000, -0.0000135200000000, -0.0000304700000000 ] - [ 0.0014007400000000, -0.0000100500000000, -0.0000255300000000 ] - [ 0.0013438300000000, 0.0004620600000000, -0.0000798200000000 ] - [ 0.0013479800000000, 0.0004645900000000, -0.0000911900000000 ] - [ 0.0031622000000000, 0.0012314200000000, 0.0030446100000000 ] - [ 0.0031631400000000, 0.0012518200000000, 0.0029529600000000 ] - [ -0.0015405300000000, -0.0010602200000000, -0.0018037200000000 ] - [ -0.0012439200000000, -0.0011655500000000, -0.0011127600000000 ] - [ -0.0013618700000000, 0.0012872300000000, -0.0011928300000000 ] - [ -0.0013698100000000, 0.0013061700000000, -0.0011534800000000 ] - [ -0.0015838400000000, 0.0006043800000000, -0.0007447900000000 ] - [ -0.0013895900000000, 0.0011772800000000, -0.0012793700000000 ] - [ -0.0020040200000000, 0.0001489800000000, -0.0006726200000000 ] - [ -0.0018314400000000, 0.0003518700000000, 0.0000344000000000 ] - [ -0.0009460600000000, -0.0005086900000000, -0.0010186300000000 ] - [ -0.0009329300000000, -0.0004935200000000, -0.0010175800000000 ] - [ -0.0013920700000000, 0.0002820000000000, -0.0002889300000000 ] - [ -0.0013910300000000, 0.0003045800000000, -0.0002721600000000 ] - [ 0.0149255100000000, -0.0059766800000000, -0.0000849000000000 ] - [ -0.0023868300000000, -0.0011297400000000, -0.0005293700000000 ] - [ -0.0019041100000000, -0.0007162100000000, 0.0011100500000000 ] - [ -0.0020573600000000, -0.0007344800000000, 0.0011449600000000 ] - [ -0.0022932000000000, 0.0011835200000000, -0.0005096600000000 ] - [ -0.0022901000000000, 0.0011916600000000, -0.0005109200000000 ] - [ -0.0020709000000000, 0.0006967000000000, 0.0010789100000000 ] - [ -0.0019667400000000, 0.0007957000000000, 0.0010906300000000 ] - [ -0.0005148500000000, 0.0010134700000000, 0.0001262700000000 ] - [ -0.0004777700000000, 0.0010183800000000, 0.0002082500000000 ] - [ -0.0004902800000000, -0.0010248100000000, 0.0001520900000000 ] - [ -0.0005377000000000, -0.0009686500000000, 0.0001777100000000 ]- atom: 25 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0031794800000000, 0.0005296200000000, 0.0004430100000000 ] - [ 0.0008506700000000, 0.0001107300000000, 0.0006734100000000 ] - [ 0.0005191600000000, -0.0005034200000000, 0.0015954400000000 ] - [ 0.0027163600000000, 0.0003588700000000, 0.0003236200000000 ] - [ 0.0006596500000000, 0.0005071700000000, 0.0008713700000000 ] - [ 0.0006661200000000, 0.0004997900000000, 0.0009086000000000 ] - [ 0.0003428400000000, 0.0004714400000000, -0.0000209100000000 ] - [ 0.0003420800000000, 0.0005042400000000, 0.0000104000000000 ] - [ -0.0008187000000000, -0.0008985700000000, -0.0001074400000000 ] - [ -0.0005853800000000, -0.0008201900000000, -0.0003224600000000 ] - [ -0.0043585900000000, -0.0002827200000000, 0.0010181500000000 ] - [ -0.0037552400000000, 0.0018181500000000, 0.0010668500000000 ] - [ -0.0006114800000000, 0.0009529100000000, -0.0001223500000000 ] - [ -0.0006829800000000, 0.0010328100000000, -0.0003897700000000 ] - [ -0.0002341400000000, 0.0007709400000000, 0.0010262800000000 ] - [ -0.0002329700000000, 0.0007619200000000, 0.0010203200000000 ] - [ 0.0009673300000000, 0.0011154000000000, -0.0029696300000000 ] - [ 0.0034077300000000, 0.0023811000000000, -0.0006690700000000 ] - [ -0.0005339900000000, -0.0004280200000000, 0.0018704300000000 ] - [ 0.0021339100000000, 0.0003229400000000, 0.0006124100000000 ] - [ 0.0035654500000000, -0.0022255400000000, -0.0007398400000000 ] - [ 0.0035399600000000, -0.0021813000000000, -0.0007525300000000 ] - [ 0.0023321900000000, -0.0001189100000000, 0.0006913500000000 ] - [ 0.0023374800000000, -0.0001014600000000, 0.0007211000000000 ] - [ 0.0453595700000000, 0.0054480200000000, -0.0011464200000000 ] - [ -0.0009826700000000, -0.0002245600000000, 0.0001174400000000 ] - [ 0.0007784700000000, -0.0024695700000000, -0.0015097500000000 ] - [ 0.0003702900000000, -0.0023407900000000, -0.0013540400000000 ] - [ -0.0013225100000000, 0.0001638200000000, 0.0003990200000000 ] - [ -0.0013160700000000, 0.0001868900000000, 0.0004009000000000 ] - [ 0.0003169900000000, 0.0023641100000000, -0.0011644800000000 ] - [ 0.0004871600000000, 0.0025353700000000, -0.0014116100000000 ] - [ -0.0080042800000000, -0.0003903600000000, -0.0033302700000000 ] - [ -0.0052905000000000, 0.0013321100000000, -0.0037380200000000 ] - [ -0.0045953900000000, -0.0023711700000000, -0.0018161600000000 ] - [ -0.0012662700000000, 0.0006137500000000, -0.0005301800000000 ] - [ 0.0008891800000000, 0.0012710500000000, 0.0026561200000000 ] - [ 0.0009498700000000, 0.0013130200000000, 0.0023201300000000 ] - [ -0.0052707000000000, -0.0014129200000000, -0.0038537700000000 ] - [ -0.0052708200000000, -0.0014152300000000, -0.0038602500000000 ] - [ -0.0009215100000000, -0.0006219100000000, -0.0004652000000000 ] - [ -0.0009226400000000, -0.0006266100000000, -0.0004604200000000 ] - [ -0.0006883400000000, 0.0013780700000000, -0.0023442800000000 ] - [ -0.0005859000000000, 0.0014044400000000, -0.0021754500000000 ] - [ 0.0010271000000000, -0.0013240200000000, 0.0023435700000000 ] - [ 0.0010267700000000, -0.0013323200000000, 0.0023794000000000 ] - [ 0.0007195200000000, 0.0001879700000000, 0.0040068500000000 ] - [ 0.0036408300000000, 0.0005445800000000, 0.0031495400000000 ] - [ -0.0006397100000000, -0.0015006000000000, -0.0020830100000000 ] - [ -0.0006421100000000, -0.0015058500000000, -0.0021222700000000 ] - [ -0.0014492000000000, -0.0008916800000000, 0.0015885400000000 ] - [ 0.0011871200000000, -0.0005293700000000, 0.0016248500000000 ] - [ 0.0037098100000000, -0.0002961300000000, 0.0030667600000000 ] - [ 0.0037182300000000, -0.0003093300000000, 0.0030699900000000 ] - [ 0.0012646700000000, 0.0004898000000000, 0.0015846500000000 ] - [ 0.0012700800000000, 0.0004713300000000, 0.0015761500000000 ] - [ -0.0055004200000000, -0.0077449700000000, -0.0022017800000000 ] - [ -0.0010782200000000, -0.0002766300000000, -0.0024333300000000 ] - [ -0.0026787600000000, -0.0008030900000000, -0.0006817900000000 ] - [ -0.0025907000000000, -0.0007647700000000, -0.0008610600000000 ] - [ -0.0007606200000000, -0.0000879100000000, -0.0024081500000000 ] - [ -0.0007540700000000, -0.0000987000000000, -0.0024133400000000 ] - [ -0.0026744700000000, 0.0008021200000000, -0.0008361000000000 ] - [ -0.0025843700000000, 0.0007023900000000, -0.0008200500000000 ] - [ 0.0016279500000000, 0.0007174600000000, 0.0007269600000000 ] - [ 0.0016792000000000, 0.0007171100000000, 0.0008434100000000 ] - [ -0.0006004200000000, -0.0003491500000000, -0.0003271300000000 ] - [ 0.0015810900000000, 0.0000108500000000, 0.0000518700000000 ] - [ -0.0022615200000000, 0.0005774200000000, 0.0018406100000000 ] - [ 0.0016568600000000, -0.0002193900000000, -0.0001279400000000 ] - [ 0.0029645900000000, -0.0011350800000000, 0.0024974700000000 ] - [ 0.0032097700000000, -0.0012766000000000, 0.0029888500000000 ] - [ 0.0016338800000000, -0.0007221200000000, 0.0006403600000000 ] - [ 0.0016556800000000, -0.0008426600000000, 0.0009555200000000 ] - [ 0.0014017100000000, -0.0000131100000000, -0.0000349700000000 ] - [ 0.0013992500000000, -0.0000166100000000, -0.0000398300000000 ] - [ 0.0013514200000000, 0.0004651100000000, -0.0001003300000000 ] - [ 0.0013472600000000, 0.0004625100000000, -0.0000890300000000 ] - [ 0.0031245400000000, 0.0012347000000000, 0.0029154300000000 ] - [ 0.0031235000000000, 0.0012142300000000, 0.0030061600000000 ] - [ -0.0011978100000000, -0.0015373000000000, -0.0005450800000000 ] - [ -0.0014913300000000, -0.0014315000000000, -0.0012348700000000 ] - [ -0.0013745100000000, 0.0013105500000000, -0.0011542900000000 ] - [ -0.0013666600000000, 0.0012915500000000, -0.0011930600000000 ] - [ -0.0002806300000000, 0.0003935100000000, -0.0013090600000000 ] - [ -0.0004863400000000, -0.0001795400000000, -0.0007648200000000 ] - [ -0.0007743100000000, -0.0007429300000000, 0.0001139400000000 ] - [ -0.0009580200000000, -0.0009459100000000, -0.0006060100000000 ] - [ -0.0009252900000000, -0.0004928500000000, -0.0010257500000000 ] - [ -0.0009383200000000, -0.0005078600000000, -0.0010267800000000 ] - [ -0.0013911300000000, 0.0003058500000000, -0.0002788200000000 ] - [ -0.0013921300000000, 0.0002835800000000, -0.0002955400000000 ] - [ -0.0203952600000000, 0.0039279400000000, -0.0010126200000000 ] - [ -0.0021978100000000, -0.0012464000000000, -0.0004981500000000 ] - [ -0.0020730100000000, -0.0008065600000000, 0.0010393100000000 ] - [ -0.0019163400000000, -0.0007884800000000, 0.0010060200000000 ] - [ -0.0022917200000000, 0.0011931600000000, -0.0005176200000000 ] - [ -0.0022946900000000, 0.0011851300000000, -0.0005164600000000 ] - [ -0.0019036300000000, 0.0008256600000000, 0.0010721300000000 ] - [ -0.0020070900000000, 0.0007275900000000, 0.0010601000000000 ] - [ -0.0004677000000000, 0.0009846500000000, 0.0002688300000000 ] - [ -0.0005047200000000, 0.0009800200000000, 0.0001870300000000 ] - [ -0.0004937500000000, -0.0009732000000000, 0.0002458700000000 ] - [ -0.0004449200000000, -0.0010296000000000, 0.0002168500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001692700000000, 0.0005208300000000, -0.0012281600000000 ] - [ 0.0009979100000000, 0.0013745400000000, 0.0027545400000000 ] - [ -0.0000168200000000, 0.0011624200000000, -0.0033780000000000 ] - [ -0.0005156000000000, 0.0007928500000000, 0.0020090100000000 ] - [ 0.0006354000000000, 0.0004865800000000, 0.0008078000000000 ] - [ 0.0006740800000000, 0.0005119600000000, 0.0009372600000000 ] - [ 0.0003536600000000, 0.0004724900000000, -0.0000720100000000 ] - [ 0.0003418900000000, 0.0005170600000000, 0.0000365300000000 ] - [ -0.0006492700000000, -0.0008354200000000, 0.0002901100000000 ] - [ -0.0006141100000000, -0.0008610000000000, -0.0007361900000000 ] - [ 0.0014438900000000, 0.0013608100000000, 0.0007391000000000 ] - [ 0.0025054100000000, 0.0023162600000000, 0.0016102300000000 ] - [ -0.0006183500000000, 0.0010302600000000, 0.0000894300000000 ] - [ -0.0006928200000000, 0.0009829700000000, -0.0005208200000000 ] - [ -0.0002316500000000, 0.0007682400000000, 0.0010151400000000 ] - [ -0.0002362400000000, 0.0007659000000000, 0.0010159900000000 ] - [ 0.0025622600000000, -0.0016346900000000, -0.0000435700000000 ] - [ 0.0036500900000000, 0.0037387300000000, -0.0010440300000000 ] - [ 0.0009099800000000, -0.0043808200000000, 0.0001550900000000 ] - [ 0.0023404700000000, 0.0015466900000000, 0.0007482800000000 ] - [ 0.0035752700000000, -0.0022713600000000, -0.0007433400000000 ] - [ 0.0035261800000000, -0.0021418200000000, -0.0007665300000000 ] - [ 0.0023646600000000, -0.0002198900000000, 0.0007036600000000 ] - [ 0.0023224400000000, -0.0000265100000000, 0.0007026200000000 ] - [ -0.0071022300000000, -0.0482115600000000, -0.0029058300000000 ] - [ -0.0012718900000000, 0.0033247900000000, 0.0005046600000000 ] - [ 0.0004444400000000, -0.0034829100000000, -0.0014388300000000 ] - [ 0.0003988500000000, -0.0016330100000000, -0.0015586500000000 ] - [ -0.0013313300000000, 0.0001301300000000, 0.0003947600000000 ] - [ -0.0013081600000000, 0.0002185600000000, 0.0003825200000000 ] - [ 0.0002575500000000, 0.0015377500000000, -0.0012545800000000 ] - [ 0.0005700200000000, 0.0029483500000000, -0.0014880700000000 ] - [ -0.0044082600000000, 0.0061495800000000, -0.0045899700000000 ] - [ -0.0054672800000000, 0.0004096400000000, -0.0040576900000000 ] - [ 0.0012749400000000, 0.0077829200000000, 0.0022453600000000 ] - [ -0.0008210400000000, -0.0005569000000000, -0.0003170500000000 ] - [ 0.0011826900000000, 0.0019153900000000, 0.0017438700000000 ] - [ 0.0011052900000000, 0.0009505300000000, 0.0027234000000000 ] - [ -0.0052652800000000, -0.0014008200000000, -0.0038474200000000 ] - [ -0.0052733500000000, -0.0014248300000000, -0.0038584800000000 ] - [ -0.0009215800000000, -0.0006123100000000, -0.0004708600000000 ] - [ -0.0009234600000000, -0.0006378800000000, -0.0004496700000000 ] - [ -0.0006289100000000, 0.0023462300000000, -0.0015373700000000 ] - [ -0.0005291200000000, 0.0010868300000000, -0.0024139300000000 ] - [ 0.0009655400000000, -0.0012789500000000, 0.0023077000000000 ] - [ 0.0010337300000000, -0.0013505300000000, 0.0024087700000000 ] - [ 0.0042480400000000, 0.0056513900000000, 0.0068954700000000 ] - [ 0.0035456300000000, -0.0006885600000000, 0.0027640700000000 ] - [ -0.0006168000000000, -0.0014200300000000, -0.0021067300000000 ] - [ -0.0006657400000000, -0.0015855100000000, -0.0021143400000000 ] - [ 0.0020170100000000, 0.0031086700000000, 0.0009384700000000 ] - [ 0.0010500700000000, -0.0014354800000000, 0.0016525400000000 ] - [ 0.0037066000000000, -0.0002800200000000, 0.0030547700000000 ] - [ 0.0037236500000000, -0.0003318200000000, 0.0030936900000000 ] - [ 0.0012591300000000, 0.0005072800000000, 0.0015939900000000 ] - [ 0.0012748000000000, 0.0004555700000000, 0.0015734000000000 ] - [ 0.0078952100000000, 0.0184280600000000, -0.0032046400000000 ] - [ -0.0014368000000000, -0.0015971600000000, -0.0023013800000000 ] - [ -0.0025525200000000, -0.0003027600000000, -0.0003433700000000 ] - [ -0.0027444600000000, -0.0012337300000000, -0.0012245800000000 ] - [ -0.0007641000000000, -0.0000793200000000, -0.0024051200000000 ] - [ -0.0007511100000000, -0.0001072600000000, -0.0024121900000000 ] - [ -0.0026614000000000, 0.0008182100000000, -0.0007556100000000 ] - [ -0.0025374900000000, 0.0006318500000000, -0.0008400600000000 ] - [ 0.0016299800000000, 0.0007585700000000, 0.0007392000000000 ] - [ 0.0017071600000000, 0.0007003100000000, 0.0009260300000000 ] - [ 0.0017499600000000, 0.0023312500000000, -0.0001471200000000 ] - [ 0.0014239100000000, -0.0009014600000000, -0.0002217100000000 ] - [ 0.0008768200000000, 0.0022959500000000, 0.0008966200000000 ] - [ 0.0013635100000000, -0.0016545100000000, 0.0000660000000000 ] - [ 0.0029361300000000, -0.0009177100000000, 0.0025092900000000 ] - [ 0.0031429000000000, -0.0015737000000000, 0.0032747000000000 ] - [ 0.0017527400000000, -0.0005107600000000, 0.0003426200000000 ] - [ 0.0015434400000000, -0.0010903100000000, 0.0012510200000000 ] - [ 0.0014041000000000, -0.0000013000000000, -0.0000233100000000 ] - [ 0.0013983000000000, -0.0000250100000000, -0.0000394400000000 ] - [ 0.0013517000000000, 0.0004708400000000, -0.0001054300000000 ] - [ 0.0013443500000000, 0.0004554300000000, -0.0000781000000000 ] - [ 0.0031471500000000, 0.0012679100000000, 0.0028544400000000 ] - [ 0.0031330600000000, 0.0012004400000000, 0.0030597700000000 ] - [ -0.0011030600000000, -0.0011711800000000, -0.0006996700000000 ] - [ -0.0015827300000000, -0.0015611800000000, -0.0013918600000000 ] - [ -0.0013776300000000, 0.0013681900000000, -0.0010436400000000 ] - [ -0.0013567400000000, 0.0012344500000000, -0.0012656800000000 ] - [ -0.0011937700000000, 0.0010323200000000, -0.0021374200000000 ] - [ -0.0011704700000000, -0.0005434500000000, -0.0004024800000000 ] - [ -0.0018735800000000, -0.0001885100000000, 0.0008757500000000 ] - [ -0.0016764600000000, -0.0013598300000000, -0.0009966100000000 ] - [ -0.0009300600000000, -0.0004934800000000, -0.0010411800000000 ] - [ -0.0009438000000000, -0.0005124500000000, -0.0010048700000000 ] - [ -0.0013828700000000, 0.0003105700000000, -0.0002578800000000 ] - [ -0.0013993500000000, 0.0002754100000000, -0.0003050500000000 ] - [ -0.0080994300000000, 0.0038692100000000, -0.0003939100000000 ] - [ -0.0019554700000000, -0.0023961200000000, -0.0005964700000000 ] - [ -0.0020048900000000, -0.0004283500000000, 0.0011062300000000 ] - [ -0.0018462000000000, -0.0010492400000000, 0.0010534800000000 ] - [ -0.0022889400000000, 0.0012011400000000, -0.0005160100000000 ] - [ -0.0022963500000000, 0.0011745600000000, -0.0005105900000000 ] - [ -0.0019022900000000, 0.0009130500000000, 0.0011080000000000 ] - [ -0.0020597600000000, 0.0006333500000000, 0.0010502400000000 ] - [ -0.0004876700000000, 0.0011245300000000, 0.0000414700000000 ] - [ -0.0005263600000000, 0.0009045600000000, 0.0002799600000000 ] - [ -0.0004598600000000, -0.0006650800000000, -0.0000310700000000 ] - [ -0.0004177600000000, -0.0012058900000000, 0.0003114900000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014894900000000, -0.0015005900000000, 0.0029811800000000 ] - [ 0.0003139000000000, -0.0023598000000000, -0.0009938800000000 ] - [ 0.0007035500000000, -0.0021385400000000, 0.0033345200000000 ] - [ 0.0012122700000000, -0.0017617000000000, -0.0020383100000000 ] - [ 0.0006820400000000, 0.0004944100000000, 0.0009456900000000 ] - [ 0.0006433000000000, 0.0004697400000000, 0.0008161300000000 ] - [ 0.0003391500000000, 0.0004984900000000, 0.0000468200000000 ] - [ 0.0003509000000000, 0.0004536000000000, -0.0000616800000000 ] - [ -0.0006466300000000, -0.0009754900000000, -0.0006778300000000 ] - [ -0.0006818700000000, -0.0009526500000000, 0.0003467600000000 ] - [ -0.0019124700000000, -0.0028889200000000, 0.0012960500000000 ] - [ -0.0029619500000000, -0.0038414000000000, 0.0004209400000000 ] - [ -0.0006768000000000, 0.0007800300000000, -0.0004774600000000 ] - [ -0.0006026400000000, 0.0008285100000000, 0.0001325900000000 ] - [ -0.0002365800000000, 0.0007639700000000, 0.0010182800000000 ] - [ -0.0002320500000000, 0.0007664800000000, 0.0010174000000000 ] - [ 0.0045337800000000, 0.0060441800000000, -0.0014595800000000 ] - [ 0.0034408800000000, 0.0006676900000000, -0.0004642900000000 ] - [ 0.0037668100000000, 0.0046056300000000, 0.0012513800000000 ] - [ 0.0023367100000000, -0.0013188100000000, 0.0006640600000000 ] - [ 0.0035173400000000, -0.0021320500000000, -0.0007622800000000 ] - [ 0.0035664300000000, -0.0022616500000000, -0.0007389200000000 ] - [ 0.0023131900000000, -0.0000054500000000, 0.0007070700000000 ] - [ 0.0023555100000000, -0.0001991400000000, 0.0007076500000000 ] - [ 0.0042777100000000, 0.0474523900000000, 0.0037672300000000 ] - [ -0.0013673200000000, -0.0036782500000000, 0.0002784700000000 ] - [ 0.0004033500000000, -0.0013061200000000, -0.0013513700000000 ] - [ 0.0004486800000000, -0.0031585800000000, -0.0012354900000000 ] - [ -0.0013052900000000, 0.0002221000000000, 0.0003865300000000 ] - [ -0.0013285400000000, 0.0001334900000000, 0.0003986600000000 ] - [ 0.0005901100000000, 0.0032557200000000, -0.0015378700000000 ] - [ 0.0002777000000000, 0.0018436300000000, -0.0013042200000000 ] - [ -0.0062439800000000, -0.0034868700000000, -0.0029650900000000 ] - [ -0.0050696100000000, 0.0024154300000000, -0.0036505900000000 ] - [ -0.0032842100000000, -0.0067924700000000, -0.0033656000000000 ] - [ -0.0010202100000000, 0.0018048400000000, -0.0006018900000000 ] - [ 0.0008346200000000, 0.0007204100000000, 0.0029900000000000 ] - [ 0.0009126700000000, 0.0016856100000000, 0.0020079300000000 ] - [ -0.0052735400000000, -0.0014254100000000, -0.0038589300000000 ] - [ -0.0052654800000000, -0.0014015100000000, -0.0038478100000000 ] - [ -0.0009227600000000, -0.0006373000000000, -0.0004492300000000 ] - [ -0.0009208800000000, -0.0006117800000000, -0.0004703500000000 ] - [ -0.0006579300000000, 0.0006650800000000, -0.0026767200000000 ] - [ -0.0007575300000000, 0.0019246600000000, -0.0017972700000000 ] - [ 0.0010520600000000, -0.0013580500000000, 0.0024221000000000 ] - [ 0.0009838900000000, -0.0012865200000000, 0.0023208300000000 ] - [ 0.0031617600000000, -0.0049635000000000, -0.0005987800000000 ] - [ 0.0038858400000000, 0.0012993800000000, 0.0033830200000000 ] - [ -0.0006696400000000, -0.0015918300000000, -0.0021040700000000 ] - [ -0.0006206900000000, -0.0014266600000000, -0.0020958400000000 ] - [ 0.0005101600000000, -0.0040370900000000, 0.0021758900000000 ] - [ 0.0014851500000000, 0.0004737400000000, 0.0015108500000000 ] - [ 0.0037241900000000, -0.0003322100000000, 0.0030945000000000 ] - [ 0.0037071300000000, -0.0002806500000000, 0.0030554700000000 ] - [ 0.0012755800000000, 0.0004535500000000, 0.0015673300000000 ] - [ 0.0012598800000000, 0.0005053100000000, 0.0015879600000000 ] - [ -0.0089263000000000, -0.0174832300000000, -0.0017109600000000 ] - [ -0.0000789100000000, 0.0017885700000000, -0.0025154300000000 ] - [ -0.0026508600000000, -0.0011628400000000, -0.0012974900000000 ] - [ -0.0024614600000000, -0.0002344700000000, -0.0004144000000000 ] - [ -0.0007507900000000, -0.0001071300000000, -0.0024126200000000 ] - [ -0.0007638600000000, -0.0000791200000000, -0.0024056200000000 ] - [ -0.0025442800000000, 0.0006494400000000, -0.0008845200000000 ] - [ -0.0026681200000000, 0.0008359200000000, -0.0008000000000000 ] - [ 0.0016982700000000, 0.0007242100000000, 0.0009766700000000 ] - [ 0.0016207700000000, 0.0007831800000000, 0.0007904800000000 ] - [ 0.0010713800000000, -0.0023102100000000, 0.0001018100000000 ] - [ 0.0013752100000000, 0.0009258400000000, 0.0001547600000000 ] - [ 0.0018664900000000, -0.0032322000000000, -0.0011112900000000 ] - [ 0.0013319800000000, 0.0007290600000000, -0.0002473800000000 ] - [ 0.0033498600000000, -0.0015488100000000, 0.0034506800000000 ] - [ 0.0031436600000000, -0.0008931900000000, 0.0026861000000000 ] - [ 0.0015756000000000, -0.0009727200000000, 0.0013736800000000 ] - [ 0.0017847200000000, -0.0003931200000000, 0.0004649400000000 ] - [ 0.0013964700000000, -0.0000250900000000, -0.0000415700000000 ] - [ 0.0014022500000000, -0.0000014800000000, -0.0000253600000000 ] - [ 0.0013440200000000, 0.0004565700000000, -0.0000755000000000 ] - [ 0.0013513200000000, 0.0004719000000000, -0.0001027700000000 ] - [ 0.0031397300000000, 0.0011981900000000, 0.0031052700000000 ] - [ 0.0031538300000000, 0.0012655900000000, 0.0028996900000000 ] - [ -0.0016327500000000, -0.0014270200000000, -0.0016469500000000 ] - [ -0.0011529200000000, -0.0010365900000000, -0.0009558900000000 ] - [ -0.0013585700000000, 0.0012297700000000, -0.0013041400000000 ] - [ -0.0013794400000000, 0.0013632800000000, -0.0010815400000000 ] - [ -0.0006819900000000, -0.0000293800000000, 0.0000882100000000 ] - [ -0.0007032000000000, 0.0015403600000000, -0.0016412600000000 ] - [ -0.0009145600000000, -0.0003992500000000, -0.0014385800000000 ] - [ -0.0011108800000000, 0.0007660200000000, 0.0004259100000000 ] - [ -0.0009410300000000, -0.0005089100000000, -0.0010029400000000 ] - [ -0.0009271900000000, -0.0004897100000000, -0.0010391400000000 ] - [ -0.0014004400000000, 0.0002770700000000, -0.0003101500000000 ] - [ -0.0013839200000000, 0.0003123000000000, -0.0002629500000000 ] - [ 0.0034673800000000, -0.0062669600000000, -0.0006377700000000 ] - [ -0.0026282800000000, 0.0000197900000000, -0.0004311900000000 ] - [ -0.0019713500000000, -0.0010940200000000, 0.0010419700000000 ] - [ -0.0021277000000000, -0.0004740000000000, 0.0010978900000000 ] - [ -0.0022960900000000, 0.0011749100000000, -0.0005115800000000 ] - [ -0.0022885800000000, 0.0012015300000000, -0.0005170400000000 ] - [ -0.0020717800000000, 0.0006092600000000, 0.0010425700000000 ] - [ -0.0019143400000000, 0.0008892100000000, 0.0011003000000000 ] - [ -0.0004951200000000, 0.0008728500000000, 0.0003533700000000 ] - [ -0.0004563000000000, 0.0010934900000000, 0.0001148500000000 ] - [ -0.0005240700000000, -0.0013333000000000, 0.0004264400000000 ] - [ -0.0005650400000000, -0.0007926200000000, 0.0000825100000000 ]- atom: 25 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0011250500000000, -0.0025828400000000, 0.0020100700000000 ] - [ 0.0021198600000000, 0.0027458600000000, 0.0013492700000000 ] - [ -0.0009157000000000, -0.0037450400000000, -0.0006551800000000 ] - [ 0.0000886100000000, 0.0017283900000000, 0.0005319800000000 ] - [ 0.0006673700000000, 0.0003110000000000, 0.0018740700000000 ] - [ 0.0006939600000000, 0.0005866500000000, 0.0018539000000000 ] - [ 0.0002946000000000, 0.0004249700000000, 0.0009003900000000 ] - [ 0.0003389900000000, 0.0006296200000000, 0.0008693100000000 ] - [ -0.0005766400000000, -0.0003345100000000, 0.0005870200000000 ] - [ -0.0007167800000000, -0.0014883800000000, 0.0003150700000000 ] - [ -0.0003594100000000, -0.0009405100000000, -0.0055450400000000 ] - [ -0.0009834500000000, -0.0011108700000000, -0.0012306200000000 ] - [ -0.0007161000000000, 0.0013639100000000, 0.0005976500000000 ] - [ -0.0005608100000000, 0.0004731500000000, 0.0006131600000000 ] - [ -0.0002378500000000, 0.0007810700000000, 0.0018523500000000 ] - [ -0.0002440200000000, 0.0007848300000000, 0.0018605800000000 ] - [ 0.0055158400000000, 0.0019397900000000, -0.0000765200000000 ] - [ 0.0034122200000000, 0.0024324500000000, -0.0015954100000000 ] - [ 0.0004639200000000, 0.0003634600000000, 0.0024942600000000 ] - [ 0.0023784300000000, -0.0000526900000000, 0.0000058300000000 ] - [ 0.0035809100000000, -0.0022034800000000, 0.0002588300000000 ] - [ 0.0035853100000000, -0.0022032900000000, 0.0000686200000000 ] - [ 0.0023624100000000, -0.0000561800000000, 0.0017855900000000 ] - [ 0.0023251400000000, -0.0000626800000000, 0.0015836200000000 ] - [ 0.0018829600000000, -0.0032823100000000, -0.0418410300000000 ] - [ -0.0010327100000000, -0.0000663000000000, -0.0026416700000000 ] - [ 0.0003027900000000, -0.0021497400000000, 0.0006942100000000 ] - [ 0.0004735300000000, -0.0023027800000000, -0.0006782700000000 ] - [ -0.0013262000000000, 0.0001719400000000, 0.0016645400000000 ] - [ -0.0013279100000000, 0.0001848400000000, 0.0015507500000000 ] - [ 0.0005020600000000, 0.0024529800000000, 0.0004598400000000 ] - [ 0.0003715200000000, 0.0023575600000000, -0.0005842500000000 ] - [ -0.0066711700000000, -0.0015920700000000, 0.0020682900000000 ] - [ -0.0050717000000000, 0.0008021800000000, -0.0026320500000000 ] - [ 0.0003449400000000, 0.0043181100000000, 0.0056511000000000 ] - [ -0.0010063500000000, 0.0010243000000000, 0.0003722800000000 ] - [ 0.0008694900000000, 0.0010313300000000, 0.0018302000000000 ] - [ 0.0009891900000000, 0.0015350400000000, 0.0022647200000000 ] - [ -0.0052895600000000, -0.0014536800000000, -0.0043203200000000 ] - [ -0.0052974400000000, -0.0014681900000000, -0.0042775000000000 ] - [ -0.0008947200000000, -0.0005667700000000, -0.0008622800000000 ] - [ -0.0008850500000000, -0.0005567800000000, -0.0008262600000000 ] - [ -0.0007697800000000, 0.0014082700000000, -0.0031310800000000 ] - [ -0.0005272000000000, 0.0012364400000000, -0.0023502200000000 ] - [ 0.0010428100000000, -0.0014774000000000, 0.0018115400000000 ] - [ 0.0009877200000000, -0.0013475600000000, 0.0020294600000000 ] - [ 0.0024185600000000, 0.0043153000000000, 0.0134583600000000 ] - [ 0.0035628700000000, 0.0011538900000000, 0.0041409300000000 ] - [ -0.0006870400000000, -0.0012025800000000, -0.0028197600000000 ] - [ -0.0007039900000000, -0.0013468900000000, -0.0025433400000000 ] - [ 0.0010109300000000, -0.0003616900000000, 0.0067746400000000 ] - [ 0.0012907900000000, -0.0009279000000000, 0.0022956700000000 ] - [ 0.0037985200000000, -0.0001159000000000, 0.0025117800000000 ] - [ 0.0037780900000000, -0.0001121500000000, 0.0025705900000000 ] - [ 0.0012124600000000, 0.0003861300000000, 0.0011170200000000 ] - [ 0.0012324200000000, 0.0003718600000000, 0.0011753000000000 ] - [ -0.0014055100000000, -0.0018125700000000, 0.0010381600000000 ] - [ -0.0007493100000000, -0.0003997800000000, -0.0015789400000000 ] - [ -0.0022420700000000, -0.0004895200000000, -0.0013925100000000 ] - [ -0.0027435700000000, -0.0011171300000000, -0.0011489200000000 ] - [ -0.0007617000000000, -0.0001614200000000, -0.0027069600000000 ] - [ -0.0007586200000000, -0.0001678400000000, -0.0026906700000000 ] - [ -0.0027121700000000, 0.0010417900000000, -0.0013414000000000 ] - [ -0.0025413200000000, 0.0007620300000000, -0.0010771800000000 ] - [ 0.0017909900000000, 0.0004745500000000, 0.0002613700000000 ] - [ 0.0016757400000000, 0.0006916500000000, 0.0005433200000000 ] - [ 0.0030811200000000, -0.0004945700000000, 0.0049479900000000 ] - [ 0.0015582400000000, -0.0001141200000000, 0.0010526800000000 ] - [ -0.0016744200000000, 0.0008653600000000, 0.0046898700000000 ] - [ 0.0011832800000000, -0.0002719000000000, 0.0006788300000000 ] - [ 0.0030530400000000, -0.0015580500000000, 0.0024600100000000 ] - [ 0.0032401600000000, -0.0010081000000000, 0.0028501800000000 ] - [ 0.0016167900000000, -0.0007734300000000, 0.0002408100000000 ] - [ 0.0017561300000000, -0.0004176600000000, 0.0004525200000000 ] - [ 0.0012643800000000, -0.0000684200000000, -0.0005000300000000 ] - [ 0.0012875900000000, -0.0000838800000000, -0.0004642600000000 ] - [ 0.0014767000000000, 0.0004896400000000, -0.0004971700000000 ] - [ 0.0014544400000000, 0.0005063900000000, -0.0004565300000000 ] - [ 0.0029474100000000, 0.0011558300000000, 0.0024364500000000 ] - [ 0.0030490500000000, 0.0012424400000000, 0.0026124800000000 ] - [ -0.0012006700000000, -0.0006867500000000, -0.0019088200000000 ] - [ -0.0017141500000000, -0.0015985900000000, -0.0013059400000000 ] - [ -0.0014181100000000, 0.0012390200000000, -0.0017755100000000 ] - [ -0.0013896100000000, 0.0010987300000000, -0.0016892000000000 ] - [ -0.0008162300000000, -0.0006129700000000, 0.0002667700000000 ] - [ -0.0010973000000000, 0.0014157400000000, -0.0004491900000000 ] - [ -0.0014759100000000, 0.0004080800000000, 0.0003669500000000 ] - [ -0.0013733600000000, -0.0013453700000000, -0.0002464700000000 ] - [ -0.0008750300000000, -0.0006571900000000, -0.0014901800000000 ] - [ -0.0008437700000000, -0.0005822300000000, -0.0014493700000000 ] - [ -0.0014013800000000, 0.0003545600000000, -0.0007579400000000 ] - [ -0.0014045500000000, 0.0002601200000000, -0.0007219300000000 ] - [ -0.0015388100000000, -0.0009508700000000, 0.0035769100000000 ] - [ -0.0021704600000000, -0.0012222000000000, 0.0002842600000000 ] - [ -0.0021153000000000, -0.0005176400000000, 0.0001832300000000 ] - [ -0.0018704300000000, -0.0009026600000000, 0.0010179300000000 ] - [ -0.0023395500000000, 0.0012179500000000, -0.0008774700000000 ] - [ -0.0023365900000000, 0.0012109800000000, -0.0008436500000000 ] - [ -0.0017455700000000, 0.0007753700000000, 0.0005721000000000 ] - [ -0.0019085000000000, 0.0006817100000000, 0.0007753600000000 ] - [ -0.0005972200000000, 0.0009861800000000, -0.0003763400000000 ] - [ -0.0005077800000000, 0.0010752100000000, -0.0001669900000000 ] - [ -0.0004070200000000, -0.0012491400000000, -0.0007027200000000 ] - [ -0.0005217200000000, -0.0008934700000000, 0.0000661200000000 ]- atom: 25 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0001936600000000, 0.0015957700000000, -0.0002605300000000 ] - [ -0.0007972200000000, -0.0037104000000000, 0.0004111200000000 ] - [ 0.0016155100000000, 0.0027810000000000, 0.0006392300000000 ] - [ 0.0006038600000000, -0.0027026200000000, -0.0005533500000000 ] - [ 0.0006501800000000, 0.0006707800000000, -0.0001196100000000 ] - [ 0.0006233800000000, 0.0003945400000000, -0.0000995400000000 ] - [ 0.0003979600000000, 0.0005455900000000, -0.0009246900000000 ] - [ 0.0003536700000000, 0.0003415500000000, -0.0008935300000000 ] - [ -0.0007190100000000, -0.0014792400000000, -0.0009733100000000 ] - [ -0.0005786000000000, -0.0003230600000000, -0.0007014500000000 ] - [ -0.0001090800000000, -0.0005894500000000, 0.0075684600000000 ] - [ 0.0005029100000000, -0.0004382200000000, 0.0032504100000000 ] - [ -0.0005790300000000, 0.0004487400000000, -0.0009846700000000 ] - [ -0.0007346100000000, 0.0013374100000000, -0.0010008800000000 ] - [ -0.0002305400000000, 0.0007514600000000, 0.0001818500000000 ] - [ -0.0002243600000000, 0.0007475400000000, 0.0001735200000000 ] - [ 0.0015628000000000, 0.0024550000000000, -0.0014248600000000 ] - [ 0.0036784500000000, 0.0019725600000000, 0.0000920100000000 ] - [ 0.0041964400000000, -0.0001511900000000, -0.0010775100000000 ] - [ 0.0022979900000000, 0.0002796600000000, 0.0014009700000000 ] - [ 0.0035118400000000, -0.0021996600000000, -0.0017630200000000 ] - [ 0.0035073700000000, -0.0021998100000000, -0.0015733000000000 ] - [ 0.0023151800000000, -0.0001688400000000, -0.0003741700000000 ] - [ 0.0023527800000000, -0.0001626000000000, -0.0001719400000000 ] - [ -0.0045005100000000, 0.0029947400000000, 0.0425091300000000 ] - [ -0.0016000600000000, -0.0002890700000000, 0.0034152900000000 ] - [ 0.0005441900000000, -0.0026410300000000, -0.0034847500000000 ] - [ 0.0003740100000000, -0.0024887600000000, -0.0021118700000000 ] - [ -0.0013101600000000, 0.0001810900000000, -0.0008820300000000 ] - [ -0.0013085500000000, 0.0001680400000000, -0.0007682700000000 ] - [ 0.0003451000000000, 0.0023406100000000, -0.0032478400000000 ] - [ 0.0004762900000000, 0.0024350200000000, -0.0022078600000000 ] - [ -0.0039730700000000, 0.0042538300000000, -0.0096250000000000 ] - [ -0.0054633000000000, 0.0020178400000000, -0.0050684500000000 ] - [ -0.0022749800000000, -0.0032267100000000, -0.0066717800000000 ] - [ -0.0008375200000000, 0.0002265200000000, -0.0012943600000000 ] - [ 0.0011501600000000, 0.0016096300000000, 0.0029021900000000 ] - [ 0.0010285200000000, 0.0011013700000000, 0.0024642900000000 ] - [ -0.0052492000000000, -0.0013726000000000, -0.0033868200000000 ] - [ -0.0052413400000000, -0.0013581000000000, -0.0034296600000000 ] - [ -0.0009495100000000, -0.0006828400000000, -0.0000585300000000 ] - [ -0.0009591700000000, -0.0006928100000000, -0.0000944200000000 ] - [ -0.0005159000000000, 0.0016062900000000, -0.0010854200000000 ] - [ -0.0007584500000000, 0.0017742100000000, -0.0018608000000000 ] - [ 0.0009748300000000, -0.0011598100000000, 0.0029172100000000 ] - [ 0.0010298000000000, -0.0012893000000000, 0.0026998500000000 ] - [ 0.0049268300000000, -0.0033892800000000, -0.0067913800000000 ] - [ 0.0038672900000000, -0.0005392300000000, 0.0020090300000000 ] - [ -0.0005994100000000, -0.0018090100000000, -0.0013912800000000 ] - [ -0.0005824500000000, -0.0016645100000000, -0.0016683500000000 ] - [ 0.0014851400000000, -0.0004636200000000, -0.0040865700000000 ] - [ 0.0012439200000000, -0.0000329100000000, 0.0008660700000000 ] - [ 0.0036324700000000, -0.0004958900000000, 0.0036367200000000 ] - [ 0.0036529700000000, -0.0004999300000000, 0.0035775700000000 ] - [ 0.0013222000000000, 0.0005748900000000, 0.0020434800000000 ] - [ 0.0013023000000000, 0.0005891100000000, 0.0019854200000000 ] - [ -0.0001131100000000, 0.0019809800000000, -0.0058447100000000 ] - [ -0.0007651600000000, 0.0005894200000000, -0.0032375700000000 ] - [ -0.0029626200000000, -0.0009775500000000, -0.0002484200000000 ] - [ -0.0024621200000000, -0.0003509600000000, -0.0004920200000000 ] - [ -0.0007532900000000, -0.0000247800000000, -0.0021111200000000 ] - [ -0.0007563600000000, -0.0000184700000000, -0.0021275100000000 ] - [ -0.0024940700000000, 0.0004267900000000, -0.0003000600000000 ] - [ -0.0026639600000000, 0.0007054500000000, -0.0005632000000000 ] - [ 0.0015375400000000, 0.0010087100000000, 0.0014543500000000 ] - [ 0.0016527100000000, 0.0007914100000000, 0.0011715200000000 ] - [ -0.0001363600000000, 0.0004614200000000, -0.0049021500000000 ] - [ 0.0012417700000000, 0.0001409000000000, -0.0011136700000000 ] - [ 0.0045352500000000, -0.0018791600000000, -0.0049705800000000 ] - [ 0.0015129200000000, -0.0006497200000000, -0.0008627100000000 ] - [ 0.0032302200000000, -0.0009032600000000, 0.0035026900000000 ] - [ 0.0030452300000000, -0.0014591700000000, 0.0031093100000000 ] - [ 0.0017113800000000, -0.0007105400000000, 0.0014721700000000 ] - [ 0.0015722100000000, -0.0010651300000000, 0.0012630200000000 ] - [ 0.0015359400000000, 0.0000418000000000, 0.0004342600000000 ] - [ 0.0015126800000000, 0.0000572700000000, 0.0003986000000000 ] - [ 0.0012190700000000, 0.0004376000000000, 0.0003157400000000 ] - [ 0.0012412500000000, 0.0004208900000000, 0.0002752900000000 ] - [ 0.0033389600000000, 0.0013100400000000, 0.0035216400000000 ] - [ 0.0032377600000000, 0.0012236300000000, 0.0033465000000000 ] - [ -0.0015339900000000, -0.0019088600000000, -0.0004380800000000 ] - [ -0.0010239700000000, -0.0010012000000000, -0.0010414900000000 ] - [ -0.0013181400000000, 0.0013586200000000, -0.0005729200000000 ] - [ -0.0013466600000000, 0.0014994000000000, -0.0006588600000000 ] - [ -0.0010544400000000, 0.0016096600000000, -0.0023061200000000 ] - [ -0.0007759800000000, -0.0004153500000000, -0.0015955600000000 ] - [ -0.0013046800000000, -0.0009977800000000, -0.0009391900000000 ] - [ -0.0014138700000000, 0.0007500200000000, -0.0003253600000000 ] - [ -0.0009960500000000, -0.0003452000000000, -0.0005543400000000 ] - [ -0.0010273200000000, -0.0004203000000000, -0.0005952500000000 ] - [ -0.0013818300000000, 0.0002334300000000, 0.0001890000000000 ] - [ -0.0013786600000000, 0.0003274600000000, 0.0001531400000000 ] - [ -0.0030221100000000, -0.0014366500000000, -0.0045972900000000 ] - [ -0.0024143200000000, -0.0011530400000000, -0.0013097900000000 ] - [ -0.0018603400000000, -0.0010043800000000, 0.0019649500000000 ] - [ -0.0021030900000000, -0.0006196500000000, 0.0011314500000000 ] - [ -0.0022456200000000, 0.0011584200000000, -0.0001506800000000 ] - [ -0.0022485100000000, 0.0011653700000000, -0.0001845100000000 ] - [ -0.0022279300000000, 0.0007470900000000, 0.0015772600000000 ] - [ -0.0020659300000000, 0.0008404900000000, 0.0013747600000000 ] - [ -0.0003858100000000, 0.0010116600000000, 0.0007700700000000 ] - [ -0.0004753400000000, 0.0009228300000000, 0.0005602000000000 ] - [ -0.0005761000000000, -0.0007495100000000, 0.0010968100000000 ] - [ -0.0004611300000000, -0.0011043600000000, 0.0003283700000000 ]- atom: 27 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0006177800000000, -0.0004917300000000, 0.0008883800000000 ] - [ 0.0006622500000000, -0.0005144900000000, 0.0008744900000000 ] - [ 0.0000418400000000, 0.0001204600000000, 0.0017490000000000 ] - [ -0.0021414200000000, -0.0013721600000000, 0.0003395100000000 ] - [ 0.0001693100000000, 0.0000216000000000, 0.0010280300000000 ] - [ -0.0005946800000000, -0.0012227200000000, -0.0013416900000000 ] - [ 0.0003454300000000, 0.0005183800000000, -0.0000113500000000 ] - [ 0.0003422300000000, 0.0004618000000000, 0.0000039100000000 ] - [ 0.0046669300000000, -0.0016128000000000, -0.0003894400000000 ] - [ 0.0029228100000000, -0.0028115900000000, 0.0002714100000000 ] - [ -0.0000215700000000, -0.0007547300000000, 0.0011104600000000 ] - [ -0.0002817700000000, -0.0008669500000000, 0.0008616400000000 ] - [ -0.0006457900000000, 0.0008968600000000, -0.0001873900000000 ] - [ -0.0006472000000000, 0.0009107700000000, -0.0001886500000000 ] - [ -0.0001898100000000, 0.0006939500000000, 0.0010957900000000 ] - [ -0.0003103300000000, 0.0008530100000000, 0.0009422600000000 ] - [ 0.0068460100000000, 0.0037771300000000, -0.0030096600000000 ] - [ 0.0037178300000000, 0.0019996500000000, -0.0007674200000000 ] - [ 0.0023908100000000, 0.0001217200000000, 0.0006910000000000 ] - [ 0.0023368100000000, 0.0001019600000000, 0.0007285700000000 ] - [ 0.0035530900000000, -0.0021854900000000, -0.0007397700000000 ] - [ 0.0035509400000000, -0.0022174900000000, -0.0007670600000000 ] - [ 0.0034401400000000, -0.0011085000000000, 0.0022761100000000 ] - [ 0.0025680600000000, -0.0003096900000000, 0.0006284600000000 ] - [ -0.0016753600000000, -0.0001541100000000, 0.0002568500000000 ] - [ -0.0012655100000000, -0.0002000400000000, 0.0004416400000000 ] - [ -0.0479331500000000, -0.0013514200000000, 0.0036185800000000 ] - [ -0.0000239200000000, -0.0025535000000000, -0.0016468600000000 ] - [ -0.0012125200000000, 0.0003431500000000, 0.0004712600000000 ] - [ -0.0013823800000000, 0.0000283600000000, 0.0003351500000000 ] - [ 0.0004225500000000, 0.0024024300000000, -0.0013923400000000 ] - [ 0.0004215000000000, 0.0023862900000000, -0.0013923000000000 ] - [ -0.0052812700000000, 0.0014068800000000, -0.0037370800000000 ] - [ -0.0052625600000000, 0.0014343400000000, -0.0038679100000000 ] - [ -0.0008125800000000, 0.0006550000000000, -0.0001043600000000 ] - [ -0.0008000200000000, 0.0006093900000000, -0.0005363100000000 ] - [ 0.0060020800000000, 0.0053456600000000, -0.0008950900000000 ] - [ 0.0014552000000000, 0.0015687400000000, 0.0023370400000000 ] - [ -0.0052533100000000, -0.0013943200000000, -0.0040159600000000 ] - [ -0.0050727800000000, -0.0013117100000000, -0.0036941700000000 ] - [ -0.0009238500000000, -0.0006252200000000, -0.0005021700000000 ] - [ -0.0009250500000000, -0.0006264200000000, -0.0004440100000000 ] - [ -0.0006403600000000, 0.0015082000000000, -0.0020991300000000 ] - [ -0.0006459000000000, 0.0015097700000000, -0.0021060900000000 ] - [ 0.0010097100000000, -0.0013206100000000, 0.0023565400000000 ] - [ 0.0010084300000000, -0.0013198400000000, 0.0023654800000000 ] - [ 0.0037297100000000, 0.0003182300000000, 0.0031026700000000 ] - [ 0.0037124800000000, 0.0002977200000000, 0.0030533200000000 ] - [ 0.0025678700000000, -0.0028515200000000, 0.0001523700000000 ] - [ -0.0004483300000000, -0.0015610800000000, -0.0020802500000000 ] - [ 0.0015280500000000, -0.0004214100000000, 0.0019193400000000 ] - [ 0.0013220800000000, -0.0003332300000000, 0.0015890800000000 ] - [ 0.0040004300000000, -0.0005747500000000, 0.0031291200000000 ] - [ 0.0036408000000000, -0.0001403700000000, 0.0029787900000000 ] - [ 0.0012678600000000, 0.0004679400000000, 0.0015636500000000 ] - [ 0.0012618400000000, 0.0004971400000000, 0.0015899200000000 ] - [ -0.0007356700000000, 0.0001912500000000, -0.0024000800000000 ] - [ -0.0007470800000000, 0.0000983900000000, -0.0024146600000000 ] - [ 0.0004333400000000, 0.0035562300000000, 0.0002713800000000 ] - [ -0.0022392700000000, -0.0004139800000000, -0.0008792900000000 ] - [ -0.0007274100000000, -0.0001575300000000, -0.0024620900000000 ] - [ -0.0007795000000000, -0.0000393800000000, -0.0024061500000000 ] - [ -0.0025992600000000, 0.0007289200000000, -0.0008195900000000 ] - [ -0.0026074500000000, 0.0007434300000000, -0.0008258400000000 ] - [ 0.0111420700000000, -0.0031008800000000, -0.0065358600000000 ] - [ 0.0014699100000000, 0.0008076100000000, 0.0009716500000000 ] - [ 0.0014070200000000, 0.0000082500000000, -0.0002050800000000 ] - [ 0.0013921700000000, 0.0000321800000000, -0.0000524200000000 ] - [ 0.0014234800000000, -0.0005610500000000, -0.0005607600000000 ] - [ 0.0012275300000000, -0.0004682600000000, -0.0001123800000000 ] - [ 0.0048796600000000, -0.0008602800000000, 0.0038396000000000 ] - [ 0.0028510900000000, -0.0014844200000000, 0.0029856900000000 ] - [ 0.0016630400000000, -0.0007411200000000, 0.0008577400000000 ] - [ 0.0016631100000000, -0.0007419400000000, 0.0008564300000000 ] - [ 0.0013108500000000, -0.0000600300000000, -0.0001797900000000 ] - [ 0.0012934600000000, 0.0001567500000000, 0.0001747300000000 ] - [ 0.0013515200000000, 0.0004625700000000, -0.0001077800000000 ] - [ 0.0013507600000000, 0.0004581900000000, -0.0000520100000000 ] - [ 0.0031409000000000, 0.0012324900000000, 0.0029721900000000 ] - [ 0.0031439900000000, 0.0012315600000000, 0.0029826300000000 ] - [ -0.0013749000000000, -0.0012963600000000, -0.0011872600000000 ] - [ -0.0013664400000000, -0.0012907400000000, -0.0011772400000000 ] - [ -0.0017976800000000, 0.0013115500000000, -0.0015107500000000 ] - [ -0.0019562100000000, 0.0018432900000000, -0.0009668300000000 ] - [ -0.0009437600000000, 0.0004951700000000, -0.0010049000000000 ] - [ -0.0009358200000000, 0.0005001300000000, -0.0010375900000000 ] - [ -0.0021862000000000, 0.0001777800000000, 0.0001686700000000 ] - [ -0.0016630400000000, 0.0002335100000000, -0.0006542900000000 ] - [ -0.0016386200000000, -0.0006900200000000, -0.0009096300000000 ] - [ -0.0007577700000000, -0.0003880400000000, -0.0010183100000000 ] - [ -0.0013908700000000, 0.0002798600000000, -0.0002773100000000 ] - [ -0.0013896500000000, 0.0003090100000000, -0.0002913200000000 ] - [ -0.0022109500000000, -0.0011539600000000, -0.0004439400000000 ] - [ -0.0023329000000000, -0.0011683800000000, -0.0005728300000000 ] - [ 0.0096664500000000, -0.0074449600000000, -0.0024225100000000 ] - [ -0.0021445900000000, -0.0007213900000000, 0.0010127100000000 ] - [ -0.0022782100000000, 0.0011213600000000, -0.0004677700000000 ] - [ -0.0022845900000000, 0.0012409400000000, -0.0005060700000000 ] - [ -0.0019888500000000, 0.0007570600000000, 0.0010711500000000 ] - [ -0.0019823200000000, 0.0007669800000000, 0.0010751100000000 ] - [ 0.0065414700000000, 0.0058553200000000, 0.0057976300000000 ] - [ -0.0004433200000000, 0.0011354700000000, 0.0001966000000000 ] - [ -0.0004906700000000, -0.0010008300000000, 0.0001989400000000 ] - [ -0.0004902500000000, -0.0010003800000000, 0.0001960900000000 ]- atom: 27 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0006996600000000, -0.0004902100000000, 0.0008659100000000 ] - [ 0.0006552900000000, -0.0004668800000000, 0.0008796100000000 ] - [ 0.0006562600000000, -0.0010927800000000, -0.0017796500000000 ] - [ 0.0028310900000000, 0.0003928600000000, -0.0003604900000000 ] - [ 0.0011298400000000, 0.0009527200000000, 0.0007286100000000 ] - [ 0.0019205200000000, 0.0022008500000000, 0.0030895800000000 ] - [ 0.0003475700000000, 0.0004533600000000, -0.0000132400000000 ] - [ 0.0003505100000000, 0.0005095200000000, -0.0000281600000000 ] - [ -0.0059612400000000, -0.0002084000000000, 0.0000035700000000 ] - [ -0.0042378000000000, 0.0010136600000000, -0.0006544900000000 ] - [ -0.0004457900000000, -0.0007794800000000, 0.0009223200000000 ] - [ -0.0001861000000000, -0.0006651100000000, 0.0011710900000000 ] - [ -0.0006494600000000, 0.0009145100000000, -0.0001994300000000 ] - [ -0.0006481100000000, 0.0009005700000000, -0.0001981800000000 ] - [ -0.0002766000000000, 0.0008380000000000, 0.0009380500000000 ] - [ -0.0001578300000000, 0.0006804800000000, 0.0010907900000000 ] - [ 0.0002437400000000, 0.0006154600000000, 0.0015181400000000 ] - [ 0.0033735800000000, 0.0024063900000000, -0.0007373400000000 ] - [ 0.0022870900000000, 0.0001039600000000, 0.0007206200000000 ] - [ 0.0023409500000000, 0.0001234700000000, 0.0006825300000000 ] - [ 0.0035404400000000, -0.0022190000000000, -0.0007645100000000 ] - [ 0.0035424000000000, -0.0021874100000000, -0.0007374800000000 ] - [ 0.0012491800000000, 0.0008943100000000, -0.0008695700000000 ] - [ 0.0021093200000000, 0.0000824200000000, 0.0007807100000000 ] - [ -0.0009633400000000, -0.0001965300000000, 0.0005265300000000 ] - [ -0.0013717200000000, -0.0001517000000000, 0.0003397300000000 ] - [ 0.0488972700000000, -0.0033213900000000, -0.0064655900000000 ] - [ 0.0008712500000000, -0.0022414000000000, -0.0011506300000000 ] - [ -0.0014260900000000, 0.0000115500000000, 0.0003097900000000 ] - [ -0.0012548500000000, 0.0003219500000000, 0.0004459300000000 ] - [ 0.0004247700000000, 0.0023891400000000, -0.0013996500000000 ] - [ 0.0004258200000000, 0.0024050200000000, -0.0013999200000000 ] - [ -0.0052560100000000, 0.0014204600000000, -0.0039717400000000 ] - [ -0.0052746600000000, 0.0013928700000000, -0.0038408500000000 ] - [ -0.0010301100000000, 0.0005962400000000, -0.0008144100000000 ] - [ -0.0010436400000000, 0.0006414800000000, -0.0003820000000000 ] - [ -0.0040188300000000, -0.0028075700000000, 0.0057168500000000 ] - [ 0.0005622300000000, 0.0010646900000000, 0.0023915700000000 ] - [ -0.0052849100000000, -0.0014344500000000, -0.0036981500000000 ] - [ -0.0054643100000000, -0.0015151800000000, -0.0040139400000000 ] - [ -0.0009195600000000, -0.0006253600000000, -0.0004177900000000 ] - [ -0.0009184100000000, -0.0006240800000000, -0.0004743500000000 ] - [ -0.0006456500000000, 0.0015049600000000, -0.0021103100000000 ] - [ -0.0006401200000000, 0.0015034300000000, -0.0021032500000000 ] - [ 0.0010089900000000, -0.0013171600000000, 0.0023715400000000 ] - [ 0.0010102600000000, -0.0013178800000000, 0.0023627600000000 ] - [ 0.0037015800000000, 0.0002922000000000, 0.0030432300000000 ] - [ 0.0037190000000000, 0.0003130400000000, 0.0030928800000000 ] - [ -0.0038283000000000, -0.0001588200000000, -0.0043739100000000 ] - [ -0.0008372900000000, -0.0014496200000000, -0.0021279800000000 ] - [ 0.0010052700000000, -0.0005405300000000, 0.0012380400000000 ] - [ 0.0012135500000000, -0.0006275000000000, 0.0015734400000000 ] - [ 0.0034316300000000, -0.0000397200000000, 0.0030216800000000 ] - [ 0.0037901400000000, -0.0004691100000000, 0.0031673100000000 ] - [ 0.0012668900000000, 0.0004940700000000, 0.0015991000000000 ] - [ 0.0012728300000000, 0.0004651600000000, 0.0015729600000000 ] - [ -0.0007809100000000, -0.0000073100000000, -0.0024169600000000 ] - [ -0.0007694900000000, 0.0000871000000000, -0.0024029200000000 ] - [ -0.0055794600000000, -0.0048782700000000, -0.0018398900000000 ] - [ -0.0029657900000000, -0.0010500700000000, -0.0007602200000000 ] - [ -0.0007889400000000, -0.0000275100000000, -0.0023550000000000 ] - [ -0.0007371900000000, -0.0001449400000000, -0.0024110300000000 ] - [ -0.0026074000000000, 0.0007405700000000, -0.0008214100000000 ] - [ -0.0025992600000000, 0.0007261500000000, -0.0008152100000000 ] - [ -0.0075133100000000, 0.0043345700000000, 0.0079428600000000 ] - [ 0.0018571900000000, 0.0006785800000000, 0.0007478600000000 ] - [ 0.0013914400000000, 0.0000198100000000, 0.0001367100000000 ] - [ 0.0014064000000000, -0.0000041900000000, -0.0000148900000000 ] - [ 0.0012711700000000, -0.0003643100000000, 0.0003773700000000 ] - [ 0.0014669200000000, -0.0004579700000000, -0.0000663100000000 ] - [ 0.0016221400000000, -0.0016708800000000, 0.0022797800000000 ] - [ 0.0034348200000000, -0.0009784600000000, 0.0029727000000000 ] - [ 0.0016638800000000, -0.0007437000000000, 0.0008592900000000 ] - [ 0.0016637500000000, -0.0007428400000000, 0.0008606300000000 ] - [ 0.0014886600000000, 0.0000313700000000, 0.0001126800000000 ] - [ 0.0015047200000000, -0.0001839900000000, -0.0002411400000000 ] - [ 0.0013429600000000, 0.0004635600000000, -0.0000711700000000 ] - [ 0.0013436700000000, 0.0004679900000000, -0.0001268000000000 ] - [ 0.0031441900000000, 0.0012326800000000, 0.0029855900000000 ] - [ 0.0031411800000000, 0.0012336600000000, 0.0029752200000000 ] - [ -0.0013620700000000, -0.0013006200000000, -0.0011600100000000 ] - [ -0.0013705300000000, -0.0013063500000000, -0.0011699200000000 ] - [ -0.0009395600000000, 0.0012797900000000, -0.0008267500000000 ] - [ -0.0007807400000000, 0.0007545100000000, -0.0013779300000000 ] - [ -0.0009282700000000, 0.0005056700000000, -0.0010409900000000 ] - [ -0.0009362600000000, 0.0005010400000000, -0.0010084800000000 ] - [ -0.0005938900000000, -0.0007670200000000, -0.0007336900000000 ] - [ -0.0011239800000000, -0.0008246500000000, 0.0000888100000000 ] - [ -0.0002339900000000, -0.0003124800000000, -0.0011382400000000 ] - [ -0.0011121000000000, -0.0006121300000000, -0.0010268300000000 ] - [ -0.0013921100000000, 0.0003081300000000, -0.0002907300000000 ] - [ -0.0013932800000000, 0.0002791600000000, -0.0002767900000000 ] - [ -0.0023729500000000, -0.0012243700000000, -0.0005838600000000 ] - [ -0.0022504500000000, -0.0012092100000000, -0.0004539700000000 ] - [ -0.0141372100000000, 0.0062717300000000, 0.0048040700000000 ] - [ -0.0018276300000000, -0.0008015600000000, 0.0011373100000000 ] - [ -0.0023052100000000, 0.0012558400000000, -0.0005592100000000 ] - [ -0.0022988800000000, 0.0011370800000000, -0.0005210400000000 ] - [ -0.0019834700000000, 0.0007669200000000, 0.0010786900000000 ] - [ -0.0019899700000000, 0.0007571100000000, 0.0010747700000000 ] - [ -0.0076875200000000, -0.0040408000000000, -0.0055996500000000 ] - [ -0.0005371600000000, 0.0008662100000000, 0.0002016400000000 ] - [ -0.0004907700000000, -0.0009985000000000, 0.0001969900000000 ] - [ -0.0004915400000000, -0.0009986600000000, 0.0002002000000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006554900000000, -0.0004643800000000, 0.0008067200000000 ] - [ 0.0006473000000000, -0.0004925700000000, 0.0009666800000000 ] - [ -0.0003223200000000, 0.0013019600000000, 0.0035660800000000 ] - [ -0.0006271000000000, 0.0009211100000000, -0.0020590900000000 ] - [ 0.0019932600000000, 0.0026086600000000, -0.0013441400000000 ] - [ 0.0009607800000000, 0.0022924400000000, 0.0032876200000000 ] - [ 0.0003528000000000, 0.0004606300000000, 0.0000722500000000 ] - [ 0.0003611900000000, 0.0005297300000000, -0.0000727900000000 ] - [ 0.0002814600000000, 0.0024193600000000, -0.0011019100000000 ] - [ 0.0009721700000000, 0.0029180400000000, -0.0012924100000000 ] - [ -0.0001763800000000, -0.0006817200000000, 0.0004682000000000 ] - [ -0.0002263700000000, -0.0007397500000000, 0.0017174100000000 ] - [ -0.0006481500000000, 0.0009097600000000, -0.0001920900000000 ] - [ -0.0006492500000000, 0.0009041200000000, -0.0001794800000000 ] - [ -0.0003755800000000, 0.0008685000000000, 0.0006206500000000 ] - [ -0.0003131800000000, 0.0008652900000000, 0.0016346400000000 ] - [ 0.0031717500000000, -0.0021472300000000, -0.0005013700000000 ] - [ 0.0036490100000000, 0.0037105900000000, -0.0005946300000000 ] - [ 0.0023335800000000, -0.0000325100000000, 0.0007172600000000 ] - [ 0.0023494800000000, 0.0002283300000000, 0.0007198300000000 ] - [ 0.0035506700000000, -0.0023040400000000, -0.0007607400000000 ] - [ 0.0035318500000000, -0.0021204500000000, -0.0007237600000000 ] - [ 0.0007953000000000, -0.0049825200000000, 0.0007349900000000 ] - [ 0.0021014600000000, 0.0012072800000000, 0.0009282100000000 ] - [ -0.0012425800000000, -0.0012667300000000, 0.0006396800000000 ] - [ -0.0013736000000000, 0.0005873000000000, 0.0004824100000000 ] - [ 0.0014000400000000, -0.0545232200000000, -0.0033960100000000 ] - [ 0.0002665200000000, 0.0013778400000000, -0.0012744500000000 ] - [ -0.0013515500000000, -0.0006830100000000, 0.0003327600000000 ] - [ -0.0011783700000000, 0.0007298900000000, 0.0004342800000000 ] - [ 0.0004170500000000, 0.0023203900000000, -0.0013987900000000 ] - [ 0.0004331300000000, 0.0024595600000000, -0.0013741800000000 ] - [ -0.0052501500000000, 0.0015170400000000, -0.0036524400000000 ] - [ -0.0052937100000000, 0.0013429500000000, -0.0039378800000000 ] - [ -0.0009539600000000, 0.0011845200000000, 0.0002636100000000 ] - [ -0.0007778200000000, 0.0001433800000000, -0.0008249300000000 ] - [ 0.0040567100000000, 0.0091788800000000, -0.0019990500000000 ] - [ 0.0010634400000000, -0.0000082400000000, 0.0023765700000000 ] - [ -0.0050442600000000, -0.0010458200000000, -0.0031182000000000 ] - [ -0.0053621700000000, -0.0017147300000000, -0.0041227300000000 ] - [ -0.0009551900000000, -0.0005583500000000, -0.0002620400000000 ] - [ -0.0008695600000000, -0.0006803700000000, -0.0005357300000000 ] - [ -0.0006473200000000, 0.0015397700000000, -0.0020789900000000 ] - [ -0.0006395200000000, 0.0014741600000000, -0.0021340300000000 ] - [ 0.0010051300000000, -0.0013009200000000, 0.0023886100000000 ] - [ 0.0010092600000000, -0.0013340400000000, 0.0023434600000000 ] - [ 0.0037643500000000, 0.0003606700000000, 0.0030265600000000 ] - [ 0.0036794100000000, 0.0002286300000000, 0.0030815500000000 ] - [ -0.0014412200000000, 0.0080883300000000, -0.0101185600000000 ] - [ -0.0008212400000000, -0.0025915000000000, -0.0016782400000000 ] - [ 0.0017024900000000, 0.0006630500000000, 0.0007532300000000 ] - [ 0.0010831200000000, -0.0011279400000000, 0.0018166400000000 ] - [ 0.0034783400000000, 0.0006995000000000, 0.0025427000000000 ] - [ 0.0039091800000000, -0.0008757200000000, 0.0034289400000000 ] - [ 0.0012450900000000, 0.0005456900000000, 0.0015638000000000 ] - [ 0.0012788600000000, 0.0004201300000000, 0.0015744300000000 ] - [ -0.0006314400000000, 0.0004467200000000, -0.0026738000000000 ] - [ -0.0009124900000000, -0.0002846900000000, -0.0021517000000000 ] - [ 0.0028952500000000, 0.0113981400000000, 0.0023329500000000 ] - [ -0.0032886200000000, -0.0024525600000000, -0.0010095000000000 ] - [ -0.0008990400000000, 0.0000784300000000, -0.0024716400000000 ] - [ -0.0006690300000000, -0.0002483000000000, -0.0023807600000000 ] - [ -0.0026113900000000, 0.0007580500000000, -0.0008338000000000 ] - [ -0.0025940700000000, 0.0007121600000000, -0.0008128300000000 ] - [ -0.0042924000000000, 0.0049708800000000, 0.0061500400000000 ] - [ 0.0020890700000000, -0.0003570300000000, 0.0008251800000000 ] - [ 0.0013788400000000, 0.0000839500000000, 0.0000980900000000 ] - [ 0.0014108000000000, -0.0000455200000000, -0.0001163000000000 ] - [ 0.0012146800000000, -0.0001701200000000, 0.0003728600000000 ] - [ 0.0013607600000000, -0.0008960300000000, -0.0003882900000000 ] - [ 0.0040876600000000, 0.0011287000000000, 0.0033470200000000 ] - [ 0.0032323600000000, -0.0023992400000000, 0.0028324100000000 ] - [ 0.0016731500000000, -0.0007255000000000, 0.0008415400000000 ] - [ 0.0016568700000000, -0.0007554700000000, 0.0008655600000000 ] - [ 0.0014221900000000, 0.0002716200000000, 0.0002964800000000 ] - [ 0.0013949400000000, -0.0003589900000000, -0.0003588300000000 ] - [ 0.0013648700000000, 0.0005033000000000, -0.0000057700000000 ] - [ 0.0013221300000000, 0.0004149900000000, -0.0001679900000000 ] - [ 0.0031465100000000, 0.0012415700000000, 0.0029921800000000 ] - [ 0.0031372700000000, 0.0012229300000000, 0.0029595900000000 ] - [ -0.0013570200000000, -0.0012892200000000, -0.0011602200000000 ] - [ -0.0013787800000000, -0.0013082600000000, -0.0011943500000000 ] - [ -0.0014569800000000, 0.0021638200000000, 0.0002145900000000 ] - [ -0.0011548000000000, 0.0001547600000000, -0.0020166400000000 ] - [ -0.0009329200000000, 0.0005751400000000, -0.0011374200000000 ] - [ -0.0009324400000000, 0.0004387100000000, -0.0009381700000000 ] - [ -0.0018413200000000, -0.0004083500000000, -0.0016850200000000 ] - [ -0.0014535000000000, -0.0010492400000000, 0.0003674500000000 ] - [ -0.0007231300000000, -0.0004306800000000, -0.0020592800000000 ] - [ -0.0013375100000000, -0.0009117800000000, -0.0007547300000000 ] - [ -0.0013848700000000, 0.0003295700000000, -0.0003429300000000 ] - [ -0.0013979500000000, 0.0002628800000000, -0.0002494500000000 ] - [ -0.0023228500000000, -0.0008985300000000, -0.0005816900000000 ] - [ -0.0022008800000000, -0.0014596400000000, -0.0004761000000000 ] - [ -0.0091534200000000, 0.0060566800000000, 0.0024728300000000 ] - [ -0.0014249500000000, -0.0022852000000000, 0.0012593300000000 ] - [ -0.0022310900000000, 0.0014161500000000, -0.0005905800000000 ] - [ -0.0023391000000000, 0.0010202800000000, -0.0004720900000000 ] - [ -0.0019758000000000, 0.0007820100000000, 0.0010744200000000 ] - [ -0.0019949100000000, 0.0007414600000000, 0.0010681300000000 ] - [ 0.0031216500000000, 0.0084224200000000, 0.0032431300000000 ] - [ -0.0009913800000000, -0.0001956400000000, 0.0004682600000000 ] - [ -0.0004973400000000, -0.0009808300000000, 0.0001928000000000 ] - [ -0.0004866700000000, -0.0010162000000000, 0.0001939100000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006622300000000, -0.0005170000000000, 0.0009460200000000 ] - [ 0.0006702300000000, -0.0004890200000000, 0.0007865500000000 ] - [ 0.0010165100000000, -0.0022620800000000, -0.0035750800000000 ] - [ 0.0013246200000000, -0.0018838700000000, 0.0020315200000000 ] - [ -0.0006781000000000, -0.0016200700000000, 0.0030842300000000 ] - [ 0.0003620700000000, -0.0013033800000000, -0.0015262500000000 ] - [ 0.0003399400000000, 0.0005103300000000, -0.0000974100000000 ] - [ 0.0003314600000000, 0.0004412700000000, 0.0000473000000000 ] - [ -0.0015765800000000, -0.0042189000000000, 0.0007101500000000 ] - [ -0.0022589700000000, -0.0047136500000000, 0.0009084200000000 ] - [ -0.0002922200000000, -0.0008503100000000, 0.0015627400000000 ] - [ -0.0002416500000000, -0.0007928700000000, 0.0003177400000000 ] - [ -0.0006471900000000, 0.0009015800000000, -0.0001963300000000 ] - [ -0.0006461700000000, 0.0009072800000000, -0.0002088800000000 ] - [ -0.0000922500000000, 0.0006637700000000, 0.0014113700000000 ] - [ -0.0001552800000000, 0.0006675800000000, 0.0004012100000000 ] - [ 0.0039117000000000, 0.0065405600000000, -0.0010033200000000 ] - [ 0.0034427100000000, 0.0006996400000000, -0.0009078500000000 ] - [ 0.0023441100000000, 0.0002579700000000, 0.0006929000000000 ] - [ 0.0023283200000000, -0.0000021900000000, 0.0006902700000000 ] - [ 0.0035423700000000, -0.0020998000000000, -0.0007449800000000 ] - [ 0.0035610300000000, -0.0022828600000000, -0.0007818000000000 ] - [ 0.0038770800000000, 0.0047429800000000, 0.0006691600000000 ] - [ 0.0025746600000000, -0.0014284800000000, 0.0004813000000000 ] - [ -0.0013927100000000, 0.0009105800000000, 0.0001424200000000 ] - [ -0.0012632000000000, -0.0009377500000000, 0.0002997700000000 ] - [ -0.0005584700000000, 0.0493712500000000, 0.0006102300000000 ] - [ 0.0005787800000000, -0.0061599800000000, -0.0015186300000000 ] - [ -0.0012858400000000, 0.0010348000000000, 0.0004469900000000 ] - [ -0.0014576700000000, -0.0003749800000000, 0.0003466200000000 ] - [ 0.0004306500000000, 0.0024715200000000, -0.0013938500000000 ] - [ 0.0004146600000000, 0.0023326500000000, -0.0014184700000000 ] - [ -0.0052883600000000, 0.0013095500000000, -0.0040542400000000 ] - [ -0.0052448400000000, 0.0014832800000000, -0.0037692700000000 ] - [ -0.0008896000000000, 0.0000671300000000, -0.0011843400000000 ] - [ -0.0010657200000000, 0.0011047400000000, -0.0000967900000000 ] - [ -0.0022008600000000, -0.0067400500000000, 0.0069647700000000 ] - [ 0.0009567800000000, 0.0026385800000000, 0.0023507600000000 ] - [ -0.0054939200000000, -0.0017807300000000, -0.0045878300000000 ] - [ -0.0051768500000000, -0.0011128300000000, -0.0035847900000000 ] - [ -0.0008891300000000, -0.0006912700000000, -0.0006576300000000 ] - [ -0.0009744300000000, -0.0005697200000000, -0.0003842400000000 ] - [ -0.0006391500000000, 0.0014726800000000, -0.0021308100000000 ] - [ -0.0006469700000000, 0.0015380900000000, -0.0020759400000000 ] - [ 0.0010125800000000, -0.0013362300000000, 0.0023410000000000 ] - [ 0.0010084900000000, -0.0013032100000000, 0.0023859900000000 ] - [ 0.0036665200000000, 0.0002516900000000, 0.0031218500000000 ] - [ 0.0037512200000000, 0.0003831400000000, 0.0030667900000000 ] - [ 0.0001149000000000, -0.0109016800000000, 0.0055968600000000 ] - [ -0.0004652000000000, -0.0004247000000000, -0.0025282200000000 ] - [ 0.0008342400000000, -0.0016215800000000, 0.0024017200000000 ] - [ 0.0014509500000000, 0.0001646600000000, 0.0013444400000000 ] - [ 0.0039508600000000, -0.0013078900000000, 0.0036079400000000 ] - [ 0.0035221800000000, 0.0002619200000000, 0.0027211200000000 ] - [ 0.0012895200000000, 0.0004156600000000, 0.0015978100000000 ] - [ 0.0012558700000000, 0.0005408300000000, 0.0015872800000000 ] - [ -0.0008833600000000, -0.0002594200000000, -0.0021450600000000 ] - [ -0.0006035100000000, 0.0004692300000000, -0.0026655300000000 ] - [ -0.0077851500000000, -0.0123734800000000, -0.0037443200000000 ] - [ -0.0019201600000000, 0.0009830100000000, -0.0006330600000000 ] - [ -0.0006169300000000, -0.0002634600000000, -0.0023459800000000 ] - [ -0.0008459900000000, 0.0000621600000000, -0.0024368400000000 ] - [ -0.0025943400000000, 0.0007102000000000, -0.0008063200000000 ] - [ -0.0026116400000000, 0.0007559800000000, -0.0008272300000000 ] - [ 0.0077568200000000, -0.0035286200000000, -0.0045548000000000 ] - [ 0.0012391300000000, 0.0018348700000000, 0.0008930000000000 ] - [ 0.0014213100000000, -0.0000572500000000, -0.0001625200000000 ] - [ 0.0013893600000000, 0.0000719100000000, 0.0000506700000000 ] - [ 0.0014790100000000, -0.0007561500000000, -0.0005513400000000 ] - [ 0.0013340800000000, -0.0000333100000000, 0.0002061200000000 ] - [ 0.0022525500000000, -0.0036217100000000, 0.0026477100000000 ] - [ 0.0030544900000000, -0.0000657100000000, 0.0031261800000000 ] - [ 0.0016548100000000, -0.0007583100000000, 0.0008749600000000 ] - [ 0.0016709600000000, -0.0007284300000000, 0.0008510800000000 ] - [ 0.0013786200000000, -0.0002976200000000, -0.0003599500000000 ] - [ 0.0014050400000000, 0.0003312500000000, 0.0002926800000000 ] - [ 0.0013304600000000, 0.0004241700000000, -0.0001743100000000 ] - [ 0.0013730000000000, 0.0005121300000000, -0.0000126700000000 ] - [ 0.0031399300000000, 0.0012245500000000, 0.0029671800000000 ] - [ 0.0031491700000000, 0.0012431600000000, 0.0029996100000000 ] - [ -0.0013792600000000, -0.0013087700000000, -0.0011866600000000 ] - [ -0.0013575600000000, -0.0012898000000000, -0.0011527800000000 ] - [ -0.0012805400000000, 0.0004317400000000, -0.0025532000000000 ] - [ -0.0015815000000000, 0.0024374800000000, -0.0003323600000000 ] - [ -0.0009386200000000, 0.0004272400000000, -0.0009071900000000 ] - [ -0.0009390500000000, 0.0005631200000000, -0.0011058500000000 ] - [ -0.0009454300000000, -0.0001799800000000, 0.0011134600000000 ] - [ -0.0013306200000000, 0.0004527900000000, -0.0009306100000000 ] - [ -0.0011477400000000, -0.0005704100000000, 0.0000098800000000 ] - [ -0.0005340200000000, -0.0000912100000000, -0.0012880700000000 ] - [ -0.0013984100000000, 0.0002583400000000, -0.0002252000000000 ] - [ -0.0013853200000000, 0.0003248100000000, -0.0003183300000000 ] - [ -0.0022620200000000, -0.0014768900000000, -0.0004461400000000 ] - [ -0.0023830300000000, -0.0009179200000000, -0.0005513300000000 ] - [ 0.0050422500000000, -0.0075488400000000, -0.0002637500000000 ] - [ -0.0025451300000000, 0.0007589000000000, 0.0008913700000000 ] - [ -0.0023532100000000, 0.0009608700000000, -0.0004370900000000 ] - [ -0.0022455900000000, 0.0013555300000000, -0.0005553000000000 ] - [ -0.0019981900000000, 0.0007408900000000, 0.0010761700000000 ] - [ -0.0019791100000000, 0.0007813700000000, 0.0010824100000000 ] - [ -0.0042583400000000, -0.0065373800000000, -0.0029888700000000 ] - [ 0.0000084500000000, 0.0021899700000000, -0.0000713900000000 ] - [ -0.0004852800000000, -0.0010175500000000, 0.0002020600000000 ] - [ -0.0004963000000000, -0.0009820800000000, 0.0002012000000000 ]- atom: 27 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0006832500000000, -0.0005703600000000, 0.0019270300000000 ] - [ 0.0006710400000000, -0.0003354000000000, 0.0018834800000000 ] - [ 0.0003880800000000, 0.0010851900000000, 0.0003706200000000 ] - [ 0.0008677100000000, -0.0026797500000000, 0.0010855500000000 ] - [ -0.0013770900000000, -0.0022596600000000, 0.0021047800000000 ] - [ 0.0008056100000000, 0.0029631500000000, 0.0023616100000000 ] - [ 0.0003353000000000, 0.0006414600000000, 0.0009496200000000 ] - [ 0.0002866500000000, 0.0004168600000000, 0.0009004600000000 ] - [ -0.0016312300000000, -0.0004841400000000, -0.0084381600000000 ] - [ -0.0000793300000000, 0.0009406200000000, -0.0040242000000000 ] - [ -0.0003098300000000, -0.0011308100000000, 0.0019347100000000 ] - [ -0.0001637800000000, -0.0004092400000000, 0.0016714800000000 ] - [ -0.0006304600000000, 0.0008603800000000, 0.0006768000000000 ] - [ -0.0006263100000000, 0.0008650100000000, 0.0006928600000000 ] - [ -0.0000523200000000, 0.0003999900000000, 0.0017553200000000 ] - [ -0.0003151800000000, 0.0011389900000000, 0.0019445200000000 ] - [ 0.0033416000000000, 0.0031900300000000, 0.0017675300000000 ] - [ 0.0036742800000000, 0.0019712400000000, -0.0013682800000000 ] - [ 0.0023351600000000, 0.0000879700000000, 0.0018379900000000 ] - [ 0.0023574400000000, 0.0000400600000000, 0.0016200400000000 ] - [ 0.0036081000000000, -0.0022095700000000, 0.0003060400000000 ] - [ 0.0035700800000000, -0.0021950500000000, 0.0001005200000000 ] - [ 0.0041831100000000, -0.0000462400000000, 0.0033592100000000 ] - [ 0.0021498400000000, 0.0000880800000000, 0.0002615000000000 ] - [ -0.0011889600000000, -0.0002239900000000, 0.0024922700000000 ] - [ -0.0013622000000000, -0.0003372600000000, 0.0011022900000000 ] - [ 0.0071411100000000, -0.0043586200000000, -0.0517795000000000 ] - [ 0.0001897200000000, -0.0022705100000000, -0.0051484300000000 ] - [ -0.0015535800000000, 0.0000300100000000, 0.0022304500000000 ] - [ -0.0012998600000000, 0.0002735500000000, 0.0012042700000000 ] - [ 0.0004289800000000, 0.0023985200000000, -0.0000242300000000 ] - [ 0.0004291000000000, 0.0023744100000000, -0.0001166800000000 ] - [ -0.0052650200000000, 0.0015057400000000, -0.0044376400000000 ] - [ -0.0053120200000000, 0.0014273700000000, -0.0041969000000000 ] - [ -0.0009142200000000, 0.0006712000000000, -0.0009921300000000 ] - [ -0.0008988100000000, 0.0005082600000000, -0.0006036400000000 ] - [ -0.0016230200000000, -0.0041782000000000, 0.0099291500000000 ] - [ 0.0009062900000000, 0.0006233300000000, 0.0030870100000000 ] - [ -0.0052620100000000, -0.0013322300000000, -0.0046252800000000 ] - [ -0.0053649200000000, -0.0016601600000000, -0.0041274300000000 ] - [ -0.0009242000000000, -0.0004944000000000, -0.0009928100000000 ] - [ -0.0008607000000000, -0.0006237200000000, -0.0007671700000000 ] - [ -0.0007049000000000, 0.0012470100000000, -0.0027508900000000 ] - [ -0.0006928600000000, 0.0012650100000000, -0.0026895300000000 ] - [ 0.0010246000000000, -0.0014114900000000, 0.0018804100000000 ] - [ 0.0010130800000000, -0.0014237000000000, 0.0019195200000000 ] - [ 0.0037718900000000, 0.0000186900000000, 0.0024130500000000 ] - [ 0.0038070800000000, 0.0001868300000000, 0.0026175400000000 ] - [ 0.0013917600000000, -0.0100211100000000, 0.0091196400000000 ] - [ -0.0005824100000000, -0.0025975800000000, -0.0007638200000000 ] - [ 0.0010284300000000, -0.0006584000000000, 0.0004197700000000 ] - [ 0.0013928100000000, -0.0001529900000000, 0.0016026600000000 ] - [ 0.0038954000000000, -0.0001727100000000, 0.0018781900000000 ] - [ 0.0036131400000000, -0.0000695000000000, 0.0029501200000000 ] - [ 0.0012275700000000, 0.0003438500000000, 0.0010561000000000 ] - [ 0.0012137100000000, 0.0004000600000000, 0.0011975400000000 ] - [ -0.0010238200000000, -0.0002191800000000, -0.0027564900000000 ] - [ -0.0006266400000000, 0.0004424400000000, -0.0027228500000000 ] - [ -0.0017596900000000, 0.0020975100000000, 0.0023496600000000 ] - [ -0.0027460000000000, -0.0000443700000000, 0.0004924700000000 ] - [ -0.0006379400000000, -0.0003235200000000, -0.0028295900000000 ] - [ -0.0008383300000000, -0.0000295700000000, -0.0025990300000000 ] - [ -0.0026196700000000, 0.0009135800000000, -0.0012403800000000 ] - [ -0.0026258400000000, 0.0009190600000000, -0.0012195800000000 ] - [ -0.0070005200000000, 0.0054870600000000, 0.0122510900000000 ] - [ 0.0017136900000000, 0.0010933300000000, 0.0023005400000000 ] - [ 0.0012207200000000, 0.0001259200000000, -0.0006099300000000 ] - [ 0.0013121200000000, 0.0000389000000000, -0.0003679000000000 ] - [ 0.0015545400000000, -0.0003257600000000, -0.0005623800000000 ] - [ 0.0013438100000000, -0.0005994300000000, -0.0001990500000000 ] - [ 0.0036767200000000, -0.0008265500000000, 0.0064264900000000 ] - [ 0.0033931500000000, -0.0017237800000000, 0.0035984600000000 ] - [ 0.0017343700000000, -0.0005740200000000, 0.0003544200000000 ] - [ 0.0017374800000000, -0.0005583600000000, 0.0003666500000000 ] - [ 0.0012905800000000, 0.0001438200000000, -0.0004776100000000 ] - [ 0.0014443300000000, -0.0002911600000000, -0.0003348300000000 ] - [ 0.0015185400000000, 0.0005612500000000, -0.0005266700000000 ] - [ 0.0014178300000000, 0.0004341300000000, -0.0004036000000000 ] - [ 0.0029842600000000, 0.0012089800000000, 0.0025048100000000 ] - [ 0.0030042000000000, 0.0011902000000000, 0.0025362500000000 ] - [ -0.0014020200000000, -0.0011297600000000, -0.0017615500000000 ] - [ -0.0014092200000000, -0.0011747200000000, -0.0017111900000000 ] - [ -0.0014765600000000, 0.0026742600000000, 0.0008177200000000 ] - [ -0.0009906100000000, 0.0006932800000000, -0.0004345300000000 ] - [ -0.0008513900000000, 0.0005495600000000, -0.0014816200000000 ] - [ -0.0008675600000000, 0.0006922400000000, -0.0014920400000000 ] - [ -0.0013276700000000, -0.0010294200000000, -0.0003951100000000 ] - [ -0.0014424100000000, 0.0007996600000000, -0.0004597500000000 ] - [ -0.0009768000000000, -0.0012030200000000, -0.0016077300000000 ] - [ -0.0005558300000000, -0.0001049000000000, -0.0010298300000000 ] - [ -0.0014008100000000, 0.0002535100000000, -0.0007867000000000 ] - [ -0.0014062000000000, 0.0003575700000000, -0.0007331300000000 ] - [ -0.0021948300000000, -0.0013597100000000, -0.0011193100000000 ] - [ -0.0024020200000000, -0.0010796400000000, -0.0006911000000000 ] - [ -0.0061331400000000, 0.0006177000000000, 0.0048963800000000 ] - [ -0.0022361500000000, -0.0006606200000000, 0.0019859900000000 ] - [ -0.0024160800000000, 0.0011906200000000, -0.0010130300000000 ] - [ -0.0022938300000000, 0.0012244500000000, -0.0007554300000000 ] - [ -0.0018229600000000, 0.0007190400000000, 0.0006422000000000 ] - [ -0.0018324100000000, 0.0007334900000000, 0.0006880500000000 ] - [ 0.0049513400000000, 0.0053499900000000, 0.0103637000000000 ] - [ -0.0005998600000000, 0.0011764100000000, 0.0016083500000000 ] - [ -0.0005602300000000, -0.0010529200000000, -0.0003354200000000 ] - [ -0.0005573800000000, -0.0010336600000000, -0.0002908200000000 ]- atom: 27 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0006335600000000, -0.0004116900000000, -0.0001770400000000 ] - [ 0.0006457000000000, -0.0006456700000000, -0.0001333300000000 ] - [ 0.0003116600000000, -0.0020553800000000, -0.0004120200000000 ] - [ -0.0001753700000000, 0.0017116900000000, -0.0011126300000000 ] - [ 0.0026965100000000, 0.0032559400000000, -0.0003613900000000 ] - [ 0.0005149200000000, -0.0019896700000000, -0.0006094600000000 ] - [ 0.0003570700000000, 0.0003286600000000, -0.0009770200000000 ] - [ 0.0004058100000000, 0.0005541100000000, -0.0009276300000000 ] - [ 0.0003355600000000, -0.0013295900000000, 0.0080661300000000 ] - [ -0.0012222100000000, -0.0027628300000000, 0.0036571600000000 ] - [ -0.0001581000000000, -0.0004019100000000, 0.0000949800000000 ] - [ -0.0003029500000000, -0.0011213300000000, 0.0003562000000000 ] - [ -0.0006646100000000, 0.0009506600000000, -0.0010665900000000 ] - [ -0.0006687500000000, 0.0009457100000000, -0.0010826600000000 ] - [ -0.0004156000000000, 0.0011332900000000, 0.0002761400000000 ] - [ -0.0001522800000000, 0.0003917900000000, 0.0000869300000000 ] - [ 0.0037397300000000, 0.0012127200000000, -0.0032824200000000 ] - [ 0.0034174300000000, 0.0024323600000000, -0.0001368200000000 ] - [ 0.0023429200000000, 0.0001377200000000, -0.0004301600000000 ] - [ 0.0023208100000000, 0.0001858000000000, -0.0002132000000000 ] - [ 0.0034850200000000, -0.0021941400000000, -0.0018139300000000 ] - [ 0.0035231400000000, -0.0022086900000000, -0.0016076100000000 ] - [ 0.0004871800000000, -0.0001827700000000, -0.0019592200000000 ] - [ 0.0025285900000000, -0.0003140500000000, 0.0011505500000000 ] - [ -0.0014455100000000, -0.0001348100000000, -0.0017041800000000 ] - [ -0.0012739700000000, -0.0000157500000000, -0.0003249300000000 ] - [ -0.0062287900000000, -0.0002898600000000, 0.0493441800000000 ] - [ 0.0006591500000000, -0.0025250300000000, 0.0023684100000000 ] - [ -0.0010828300000000, 0.0003243200000000, -0.0014553700000000 ] - [ -0.0013366400000000, 0.0000793100000000, -0.0004243500000000 ] - [ 0.0004188100000000, 0.0023935800000000, -0.0027715000000000 ] - [ 0.0004186800000000, 0.0024175700000000, -0.0026790700000000 ] - [ -0.0052724800000000, 0.0013218300000000, -0.0032691200000000 ] - [ -0.0052256700000000, 0.0013995100000000, -0.0035095400000000 ] - [ -0.0009286000000000, 0.0005807100000000, 0.0000750100000000 ] - [ -0.0009453800000000, 0.0007428400000000, -0.0003135700000000 ] - [ 0.0034872100000000, 0.0065674700000000, -0.0050092800000000 ] - [ 0.0011120300000000, 0.0020180500000000, 0.0016396000000000 ] - [ -0.0052757100000000, -0.0014966500000000, -0.0030814600000000 ] - [ -0.0051727600000000, -0.0011662400000000, -0.0035801800000000 ] - [ -0.0009194400000000, -0.0007563300000000, 0.0000752700000000 ] - [ -0.0009831600000000, -0.0006266400000000, -0.0001510300000000 ] - [ -0.0005810800000000, 0.0017671300000000, -0.0014561400000000 ] - [ -0.0005930800000000, 0.0017490400000000, -0.0015174300000000 ] - [ 0.0009936400000000, -0.0012260600000000, 0.0028497700000000 ] - [ 0.0010052300000000, -0.0012137500000000, 0.0028105100000000 ] - [ 0.0036590600000000, 0.0005927600000000, 0.0037348000000000 ] - [ 0.0036238300000000, 0.0004250700000000, 0.0035310500000000 ] - [ -0.0027606400000000, 0.0074209100000000, -0.0137302400000000 ] - [ -0.0007039000000000, -0.0004116300000000, -0.0034478600000000 ] - [ 0.0015092300000000, -0.0003048900000000, 0.0027215600000000 ] - [ 0.0011419600000000, -0.0008088400000000, 0.0015603200000000 ] - [ 0.0035349300000000, -0.0004374800000000, 0.0042731600000000 ] - [ 0.0038186600000000, -0.0005425600000000, 0.0031968100000000 ] - [ 0.0013071300000000, 0.0006182100000000, 0.0021076800000000 ] - [ 0.0013210700000000, 0.0005617200000000, 0.0019657400000000 ] - [ -0.0004956500000000, 0.0004005900000000, -0.0020613100000000 ] - [ -0.0008896300000000, -0.0002575400000000, -0.0020934000000000 ] - [ -0.0034164400000000, -0.0035098000000000, -0.0039785000000000 ] - [ -0.0024603800000000, -0.0014216200000000, -0.0021353900000000 ] - [ -0.0008789100000000, 0.0001394900000000, -0.0019862900000000 ] - [ -0.0006774700000000, -0.0001558000000000, -0.0022179700000000 ] - [ -0.0025868400000000, 0.0005550100000000, -0.0003986200000000 ] - [ -0.0025806000000000, 0.0005494200000000, -0.0004194300000000 ] - [ 0.0105979100000000, -0.0041862300000000, -0.0106768900000000 ] - [ 0.0016126200000000, 0.0003886800000000, -0.0005882800000000 ] - [ 0.0015784700000000, -0.0000982200000000, 0.0005446300000000 ] - [ 0.0014873800000000, -0.0000119100000000, 0.0003028500000000 ] - [ 0.0011376600000000, -0.0005998100000000, 0.0003856100000000 ] - [ 0.0013501800000000, -0.0003265000000000, 0.0000211300000000 ] - [ 0.0027498300000000, -0.0017037600000000, -0.0003647200000000 ] - [ 0.0028920100000000, -0.0007366100000000, 0.0023596100000000 ] - [ 0.0015923000000000, -0.0009106900000000, 0.0013642100000000 ] - [ 0.0015891700000000, -0.0009262700000000, 0.0013520400000000 ] - [ 0.0015095500000000, -0.0001724600000000, 0.0004130000000000 ] - [ 0.0013543400000000, 0.0002648400000000, 0.0002690600000000 ] - [ 0.0011755600000000, 0.0003648800000000, 0.0003485200000000 ] - [ 0.0012765900000000, 0.0004924400000000, 0.0002248000000000 ] - [ 0.0033019400000000, 0.0012565300000000, 0.0034552500000000 ] - [ 0.0032819900000000, 0.0012754600000000, 0.0034237000000000 ] - [ -0.0013346500000000, -0.0014673100000000, -0.0005831900000000 ] - [ -0.0013275600000000, -0.0014226100000000, -0.0006335100000000 ] - [ -0.0012592600000000, -0.0000845300000000, -0.0031658700000000 ] - [ -0.0017468800000000, 0.0019044100000000, -0.0019123100000000 ] - [ -0.0010207000000000, 0.0004506800000000, -0.0005627400000000 ] - [ -0.0010044300000000, 0.0003084800000000, -0.0005522300000000 ] - [ -0.0014552900000000, 0.0004442700000000, -0.0001636700000000 ] - [ -0.0013429300000000, -0.0013931400000000, -0.0001051600000000 ] - [ -0.0008940800000000, 0.0002051200000000, -0.0004380800000000 ] - [ -0.0013164300000000, -0.0008973800000000, -0.0010158800000000 ] - [ -0.0013821500000000, 0.0003348400000000, 0.0002202500000000 ] - [ -0.0013767000000000, 0.0002302600000000, 0.0001665300000000 ] - [ -0.0023863500000000, -0.0010175700000000, 0.0000915300000000 ] - [ -0.0021814800000000, -0.0012976400000000, -0.0003348000000000 ] - [ 0.0020856600000000, -0.0020955900000000, -0.0027436900000000 ] - [ -0.0017364500000000, -0.0008598000000000, 0.0001613100000000 ] - [ -0.0021672800000000, 0.0011867900000000, -0.0000126900000000 ] - [ -0.0022900900000000, 0.0011527300000000, -0.0002714000000000 ] - [ -0.0021506000000000, 0.0008045500000000, 0.0015094700000000 ] - [ -0.0021411600000000, 0.0007900300000000, 0.0014635000000000 ] - [ -0.0061132600000000, -0.0035023700000000, -0.0100787100000000 ] - [ -0.0003805700000000, 0.0008207800000000, -0.0012168100000000 ] - [ -0.0004213500000000, -0.0009460900000000, 0.0007327000000000 ] - [ -0.0004242900000000, -0.0009653200000000, 0.0006882500000000 ]- atom: 33 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0059340300000000, -0.0028097700000000, 0.0056278400000000 ] - [ 0.0004234200000000, -0.0006377200000000, 0.0007758800000000 ] - [ 0.0003244100000000, -0.0006169600000000, 0.0000869700000000 ] - [ 0.0003026100000000, -0.0004164700000000, -0.0000284800000000 ] - [ 0.0006576700000000, 0.0004854300000000, 0.0008591700000000 ] - [ 0.0006580800000000, 0.0004969100000000, 0.0008540900000000 ] - [ 0.0003541700000000, 0.0004692200000000, -0.0000373500000000 ] - [ 0.0003553800000000, 0.0004959800000000, -0.0000222500000000 ] - [ -0.0006409700000000, -0.0008749600000000, -0.0002486300000000 ] - [ -0.0006483700000000, -0.0009295400000000, -0.0002210200000000 ] - [ 0.0047807900000000, 0.0019688100000000, 0.0053486900000000 ] - [ -0.0004658200000000, -0.0007126700000000, 0.0010553200000000 ] - [ -0.0007063800000000, 0.0009545900000000, -0.0001523100000000 ] - [ -0.0006829100000000, 0.0008561900000000, -0.0002177600000000 ] - [ -0.0002349000000000, 0.0007665300000000, 0.0010022600000000 ] - [ -0.0002349600000000, 0.0007643100000000, 0.0009960800000000 ] - [ 0.0036250100000000, 0.0021057200000000, -0.0009041400000000 ] - [ 0.0035261200000000, 0.0021434100000000, -0.0008103200000000 ] - [ 0.0058263900000000, -0.0035324800000000, -0.0028705000000000 ] - [ 0.0025531000000000, -0.0000991700000000, 0.0008116700000000 ] - [ 0.0035407100000000, -0.0022187900000000, -0.0007658200000000 ] - [ 0.0035339700000000, -0.0021913800000000, -0.0007790500000000 ] - [ 0.0023397400000000, -0.0001122400000000, 0.0006906500000000 ] - [ 0.0023387400000000, -0.0001150700000000, 0.0006800700000000 ] - [ 0.0014146700000000, 0.0007840800000000, -0.0009035900000000 ] - [ -0.0012971500000000, -0.0003721300000000, 0.0005848500000000 ] - [ 0.0004107000000000, -0.0023762100000000, -0.0013927300000000 ] - [ 0.0004287100000000, -0.0024202500000000, -0.0014392900000000 ] - [ -0.0013171400000000, 0.0001708000000000, 0.0003702600000000 ] - [ -0.0013162300000000, 0.0001788100000000, 0.0003622300000000 ] - [ 0.0004384900000000, 0.0021736900000000, -0.0013876200000000 ] - [ 0.0006194800000000, 0.0024889500000000, -0.0014864600000000 ] - [ -0.0310593800000000, 0.0003569000000000, -0.0099570200000000 ] - [ -0.0054082600000000, 0.0014924000000000, -0.0039731900000000 ] - [ -0.0022696700000000, 0.0006657200000000, -0.0010676700000000 ] - [ -0.0009562500000000, 0.0006780900000000, -0.0004377100000000 ] - [ 0.0010092300000000, 0.0012985200000000, 0.0023604100000000 ] - [ 0.0010037400000000, 0.0013313600000000, 0.0023700500000000 ] - [ -0.0052672000000000, -0.0014123300000000, -0.0038483800000000 ] - [ -0.0052680000000000, -0.0014131600000000, -0.0038441200000000 ] - [ -0.0009218200000000, -0.0006240200000000, -0.0004575600000000 ] - [ -0.0009220900000000, -0.0006273800000000, -0.0004495600000000 ] - [ -0.0008806500000000, 0.0017922100000000, -0.0018202300000000 ] - [ -0.0006760100000000, 0.0014833300000000, -0.0021396900000000 ] - [ 0.0010069900000000, -0.0013108300000000, 0.0023196200000000 ] - [ 0.0010045700000000, -0.0013161200000000, 0.0023705200000000 ] - [ 0.0039926300000000, 0.0030875900000000, 0.0039866000000000 ] - [ 0.0036919000000000, -0.0001791300000000, 0.0030183100000000 ] - [ -0.0006412400000000, -0.0015104900000000, -0.0020983100000000 ] - [ -0.0006408800000000, -0.0015136000000000, -0.0020837300000000 ] - [ 0.0011657900000000, -0.0004573700000000, 0.0012092600000000 ] - [ 0.0012561500000000, -0.0004624600000000, 0.0016124700000000 ] - [ 0.0037150400000000, -0.0003091900000000, 0.0030825900000000 ] - [ 0.0037137600000000, -0.0003091500000000, 0.0030845400000000 ] - [ 0.0012670900000000, 0.0004886700000000, 0.0015892800000000 ] - [ 0.0012700000000000, 0.0004789300000000, 0.0015907000000000 ] - [ -0.0002476200000000, 0.0008060900000000, -0.0023428800000000 ] - [ 0.0000423400000000, 0.0004741600000000, -0.0025235500000000 ] - [ -0.0025856800000000, -0.0007251300000000, -0.0008302700000000 ] - [ -0.0025974000000000, -0.0007225900000000, -0.0007967900000000 ] - [ -0.0007603000000000, -0.0000886600000000, -0.0024019000000000 ] - [ -0.0007573200000000, -0.0000930300000000, -0.0024032600000000 ] - [ -0.0026051100000000, 0.0007583700000000, -0.0008321900000000 ] - [ -0.0025911300000000, 0.0007060600000000, -0.0008086400000000 ] - [ 0.0016667300000000, 0.0007398500000000, 0.0008642700000000 ] - [ 0.0016578200000000, 0.0007518600000000, 0.0008724900000000 ] - [ 0.0085611200000000, 0.0013010900000000, 0.0009623100000000 ] - [ 0.0014773100000000, 0.0000668500000000, -0.0000438100000000 ] - [ 0.0017737000000000, -0.0008145000000000, -0.0001202800000000 ] - [ 0.0013641900000000, -0.0003975400000000, -0.0000895100000000 ] - [ 0.0031440200000000, -0.0012523500000000, 0.0029850400000000 ] - [ 0.0031556900000000, -0.0012229400000000, 0.0029896000000000 ] - [ 0.0016614700000000, -0.0007354800000000, 0.0008688700000000 ] - [ 0.0015672400000000, -0.0011418100000000, 0.0012782700000000 ] - [ 0.0014012800000000, -0.0000128500000000, -0.0000265700000000 ] - [ 0.0014027700000000, -0.0000133500000000, -0.0000219600000000 ] - [ 0.0013446800000000, 0.0004631000000000, -0.0000834400000000 ] - [ 0.0013423800000000, 0.0004615200000000, -0.0000745200000000 ] - [ 0.0031463900000000, 0.0012376200000000, 0.0029841600000000 ] - [ 0.0031506000000000, 0.0012430600000000, 0.0030359100000000 ] - [ -0.0009163400000000, -0.0008934400000000, -0.0012223600000000 ] - [ -0.0013132400000000, -0.0012899400000000, -0.0011758400000000 ] - [ -0.0013683100000000, 0.0013038300000000, -0.0011680000000000 ] - [ -0.0013673900000000, 0.0013016500000000, -0.0011577300000000 ] - [ -0.0007219500000000, 0.0001298300000000, -0.0008227100000000 ] - [ 0.0007634400000000, 0.0018195400000000, -0.0019301200000000 ] - [ -0.0013346700000000, -0.0003158100000000, -0.0002058600000000 ] - [ -0.0014278100000000, -0.0003386200000000, -0.0000877700000000 ] - [ -0.0009386800000000, -0.0004999100000000, -0.0010142300000000 ] - [ -0.0009359300000000, -0.0004968200000000, -0.0010140400000000 ] - [ -0.0013899500000000, 0.0002987100000000, -0.0002712300000000 ] - [ -0.0013919600000000, 0.0002870800000000, -0.0002782400000000 ] - [ -0.0021212800000000, -0.0029485800000000, 0.0008121500000000 ] - [ -0.0024588300000000, -0.0009584200000000, -0.0005461400000000 ] - [ -0.0020013500000000, -0.0007598200000000, 0.0010539500000000 ] - [ -0.0020037200000000, -0.0007515300000000, 0.0010982100000000 ] - [ -0.0022903700000000, 0.0011900100000000, -0.0005069900000000 ] - [ -0.0022910700000000, 0.0011870800000000, -0.0005055500000000 ] - [ -0.0019874100000000, 0.0008002700000000, 0.0011154100000000 ] - [ -0.0020095600000000, 0.0007390800000000, 0.0010829400000000 ] - [ -0.0004928800000000, 0.0009943900000000, 0.0002030600000000 ] - [ -0.0004865600000000, 0.0010031700000000, 0.0002111800000000 ] - [ -0.0007161200000000, -0.0011620600000000, -0.0001415600000000 ] - [ -0.0005402100000000, -0.0010052000000000, 0.0001742500000000 ]- atom: 33 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ -0.0044788100000000, 0.0017418100000000, -0.0037230200000000 ] - [ 0.0008940500000000, -0.0003408400000000, 0.0009782800000000 ] - [ 0.0003679500000000, -0.0003531300000000, -0.0001127400000000 ] - [ 0.0003933100000000, -0.0005562400000000, 0.0000042000000000 ] - [ 0.0006587500000000, 0.0004960500000000, 0.0008933100000000 ] - [ 0.0006582700000000, 0.0004843000000000, 0.0008985100000000 ] - [ 0.0003384400000000, 0.0005005400000000, 0.0000120100000000 ] - [ 0.0003372700000000, 0.0004745300000000, -0.0000031400000000 ] - [ -0.0006543000000000, -0.0009359800000000, -0.0001379100000000 ] - [ -0.0006465800000000, -0.0008805500000000, -0.0001660400000000 ] - [ -0.0054250500000000, -0.0036094500000000, -0.0034706300000000 ] - [ -0.0000014500000000, -0.0008179300000000, 0.0009766300000000 ] - [ -0.0005883000000000, 0.0008560900000000, -0.0002349700000000 ] - [ -0.0006127300000000, 0.0009525100000000, -0.0001703800000000 ] - [ -0.0002329500000000, 0.0007655000000000, 0.0010298500000000 ] - [ -0.0002329500000000, 0.0007676300000000, 0.0010359900000000 ] - [ 0.0034663200000000, 0.0022988100000000, -0.0006018900000000 ] - [ 0.0035669500000000, 0.0022605600000000, -0.0006943500000000 ] - [ -0.0012093700000000, 0.0038535600000000, 0.0043643500000000 ] - [ 0.0021239200000000, 0.0003262700000000, 0.0005974100000000 ] - [ 0.0035524000000000, -0.0021846900000000, -0.0007392300000000 ] - [ 0.0035589400000000, -0.0022121000000000, -0.0007266100000000 ] - [ 0.0023393200000000, -0.0001130100000000, 0.0007188600000000 ] - [ 0.0023404300000000, -0.0001102100000000, 0.0007295800000000 ] - [ -0.0040085700000000, -0.0010525600000000, 0.0016151200000000 ] - [ -0.0013385500000000, 0.0000239500000000, 0.0001940300000000 ] - [ 0.0004377400000000, -0.0024154800000000, -0.0014005000000000 ] - [ 0.0004190600000000, -0.0023718500000000, -0.0013534600000000 ] - [ -0.0013194900000000, 0.0001807800000000, 0.0004105200000000 ] - [ -0.0013204100000000, 0.0001727100000000, 0.0004184200000000 ] - [ 0.0004088600000000, 0.0026225200000000, -0.0014027200000000 ] - [ 0.0002307800000000, 0.0023042500000000, -0.0013080000000000 ] - [ 0.0204901300000000, 0.0024895900000000, 0.0021988800000000 ] - [ -0.0051290200000000, 0.0013342500000000, -0.0037345600000000 ] - [ 0.0004225800000000, 0.0005857300000000, 0.0001902400000000 ] - [ -0.0008869300000000, 0.0005713500000000, -0.0004814000000000 ] - [ 0.0010093200000000, 0.0013387400000000, 0.0023696100000000 ] - [ 0.0010150700000000, 0.0013059800000000, 0.0023584600000000 ] - [ -0.0052701000000000, -0.0014149400000000, -0.0038599400000000 ] - [ -0.0052693600000000, -0.0014141000000000, -0.0038641800000000 ] - [ -0.0009216300000000, -0.0006264500000000, -0.0004611000000000 ] - [ -0.0009213500000000, -0.0006230500000000, -0.0004690500000000 ] - [ -0.0004063500000000, 0.0012144300000000, -0.0023988100000000 ] - [ -0.0006096600000000, 0.0015291600000000, -0.0020696900000000 ] - [ 0.0010124500000000, -0.0013274900000000, 0.0024089900000000 ] - [ 0.0010143600000000, -0.0013214900000000, 0.0023584000000000 ] - [ 0.0034269700000000, -0.0024813100000000, 0.0021562700000000 ] - [ 0.0037371500000000, 0.0007948600000000, 0.0031298700000000 ] - [ -0.0006445100000000, -0.0015030200000000, -0.0021106400000000 ] - [ -0.0006448100000000, -0.0014998800000000, -0.0021252700000000 ] - [ 0.0013684900000000, -0.0005053200000000, 0.0019516300000000 ] - [ 0.0012785200000000, -0.0004998700000000, 0.0015498400000000 ] - [ 0.0037164600000000, -0.0003019100000000, 0.0030643400000000 ] - [ 0.0037177100000000, -0.0003020000000000, 0.0030624900000000 ] - [ 0.0012678000000000, 0.0004732600000000, 0.0015734800000000 ] - [ 0.0012649600000000, 0.0004829400000000, 0.0015722400000000 ] - [ -0.0012696800000000, -0.0006258500000000, -0.0024738500000000 ] - [ -0.0015605500000000, -0.0002962900000000, -0.0022954700000000 ] - [ -0.0026208900000000, -0.0007443000000000, -0.0008102700000000 ] - [ -0.0026091900000000, -0.0007467600000000, -0.0008437900000000 ] - [ -0.0007559600000000, -0.0000962900000000, -0.0024150100000000 ] - [ -0.0007589100000000, -0.0000920400000000, -0.0024137300000000 ] - [ -0.0026023100000000, 0.0007114500000000, -0.0008095400000000 ] - [ -0.0026152200000000, 0.0007623100000000, -0.0008317600000000 ] - [ 0.0016603400000000, 0.0007448800000000, 0.0008531900000000 ] - [ 0.0016694100000000, 0.0007327300000000, 0.0008448700000000 ] - [ -0.0056426200000000, -0.0012366600000000, -0.0010213000000000 ] - [ 0.0013211200000000, -0.0000401700000000, -0.0000229500000000 ] - [ 0.0009180400000000, -0.0001108600000000, -0.0000571500000000 ] - [ 0.0013305400000000, -0.0005299400000000, -0.0000898400000000 ] - [ 0.0031413500000000, -0.0012129200000000, 0.0029731900000000 ] - [ 0.0031296700000000, -0.0012426700000000, 0.0029686700000000 ] - [ 0.0016655100000000, -0.0007499800000000, 0.0008484800000000 ] - [ 0.0017582600000000, -0.0003471800000000, 0.0004437800000000 ] - [ 0.0013979000000000, -0.0000150900000000, -0.0000405100000000 ] - [ 0.0013963700000000, -0.0000146000000000, -0.0000450400000000 ] - [ 0.0013500400000000, 0.0004629600000000, -0.0000956200000000 ] - [ 0.0013522400000000, 0.0004646500000000, -0.0001043700000000 ] - [ 0.0031387800000000, 0.0012273400000000, 0.0029740000000000 ] - [ 0.0031351600000000, 0.0012223700000000, 0.0029232700000000 ] - [ -0.0018192100000000, -0.0017037500000000, -0.0011266000000000 ] - [ -0.0014239400000000, -0.0013085400000000, -0.0011714100000000 ] - [ -0.0013681800000000, 0.0012934300000000, -0.0011791600000000 ] - [ -0.0013691400000000, 0.0012957400000000, -0.0011894500000000 ] - [ -0.0011504600000000, 0.0008715500000000, -0.0012224500000000 ] - [ -0.0026616300000000, -0.0008440100000000, -0.0001041000000000 ] - [ -0.0014483900000000, -0.0002728000000000, -0.0003614600000000 ] - [ -0.0013553300000000, -0.0002491600000000, -0.0004828900000000 ] - [ -0.0009327600000000, -0.0005016500000000, -0.0010310000000000 ] - [ -0.0009355500000000, -0.0005048400000000, -0.0010311900000000 ] - [ -0.0013931500000000, 0.0002891100000000, -0.0002965800000000 ] - [ -0.0013910800000000, 0.0003002900000000, -0.0002894500000000 ] - [ -0.0024567800000000, 0.0005810900000000, -0.0018449500000000 ] - [ -0.0021238200000000, -0.0014209300000000, -0.0004805200000000 ] - [ -0.0019711300000000, -0.0007641800000000, 0.0010965200000000 ] - [ -0.0019685800000000, -0.0007723600000000, 0.0010519900000000 ] - [ -0.0022934700000000, 0.0011876000000000, -0.0005199800000000 ] - [ -0.0022927800000000, 0.0011904800000000, -0.0005213800000000 ] - [ -0.0019845800000000, 0.0007234200000000, 0.0010343600000000 ] - [ -0.0019632800000000, 0.0007842200000000, 0.0010676800000000 ] - [ -0.0004883400000000, 0.0010041300000000, 0.0001934200000000 ] - [ -0.0004948100000000, 0.0009954200000000, 0.0001849600000000 ] - [ -0.0002632200000000, -0.0008355500000000, 0.0005407900000000 ] - [ -0.0004412600000000, -0.0009936500000000, 0.0002220000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014278900000000, 0.0014002200000000, -0.0010310000000000 ] - [ 0.0004206800000000, -0.0013009000000000, 0.0003538900000000 ] - [ 0.0003878100000000, -0.0007877200000000, 0.0001686300000000 ] - [ 0.0003676300000000, -0.0002968000000000, -0.0002201800000000 ] - [ 0.0006600000000000, 0.0004743100000000, 0.0009209500000000 ] - [ 0.0006589800000000, 0.0005029400000000, 0.0009099500000000 ] - [ 0.0003479200000000, 0.0005282900000000, 0.0000416500000000 ] - [ 0.0003361300000000, 0.0004459900000000, 0.0000043500000000 ] - [ -0.0006546200000000, -0.0008567300000000, -0.0002244800000000 ] - [ -0.0006554700000000, -0.0009624400000000, -0.0000948600000000 ] - [ 0.0021026200000000, 0.0009559400000000, 0.0025636400000000 ] - [ -0.0002808600000000, -0.0015857700000000, 0.0009496000000000 ] - [ -0.0005986000000000, 0.0007645500000000, -0.0003056500000000 ] - [ -0.0006554800000000, 0.0010417900000000, -0.0000370000000000 ] - [ -0.0002325000000000, 0.0007573700000000, 0.0010446300000000 ] - [ -0.0002349900000000, 0.0007752400000000, 0.0010544700000000 ] - [ 0.0035665900000000, 0.0026038400000000, -0.0003887500000000 ] - [ 0.0035005900000000, 0.0020227300000000, -0.0009031800000000 ] - [ -0.0018453200000000, 0.0060004500000000, 0.0049368000000000 ] - [ 0.0022363900000000, -0.0006725600000000, 0.0009506300000000 ] - [ 0.0035439200000000, -0.0021743800000000, -0.0007454200000000 ] - [ 0.0035584700000000, -0.0022278400000000, -0.0006874300000000 ] - [ 0.0023382900000000, -0.0000990700000000, 0.0007493800000000 ] - [ 0.0023394300000000, -0.0001207500000000, 0.0007366700000000 ] - [ 0.0005143300000000, 0.0047122500000000, -0.0025560700000000 ] - [ -0.0012370600000000, -0.0011797900000000, -0.0002123700000000 ] - [ 0.0004173600000000, -0.0022922800000000, -0.0013040800000000 ] - [ 0.0004442900000000, -0.0024663900000000, -0.0013805400000000 ] - [ -0.0013178700000000, 0.0001889900000000, 0.0004312900000000 ] - [ -0.0013203300000000, 0.0001648300000000, 0.0004453300000000 ] - [ 0.0004037300000000, 0.0027657600000000, -0.0014776500000000 ] - [ 0.0003217500000000, 0.0020951800000000, -0.0011534100000000 ] - [ -0.0063494200000000, -0.0239456300000000, -0.0050480700000000 ] - [ -0.0051907300000000, 0.0018684600000000, -0.0038709200000000 ] - [ -0.0008545900000000, -0.0006472000000000, 0.0005392900000000 ] - [ -0.0008868700000000, 0.0008559300000000, -0.0004010100000000 ] - [ 0.0010088700000000, 0.0012508000000000, 0.0024054800000000 ] - [ 0.0010068100000000, 0.0013755400000000, 0.0023421000000000 ] - [ -0.0052707000000000, -0.0014157000000000, -0.0038694300000000 ] - [ -0.0052699100000000, -0.0014152800000000, -0.0038722500000000 ] - [ -0.0009208100000000, -0.0006246300000000, -0.0004654400000000 ] - [ -0.0009207700000000, -0.0006210800000000, -0.0004825300000000 ] - [ -0.0004445200000000, 0.0010541800000000, -0.0021034700000000 ] - [ -0.0007209900000000, 0.0017260400000000, -0.0020524400000000 ] - [ 0.0010208900000000, -0.0013316600000000, 0.0024155600000000 ] - [ 0.0010118300000000, -0.0013296000000000, 0.0022996500000000 ] - [ 0.0061472300000000, 0.0080502300000000, 0.0053061000000000 ] - [ 0.0033812000000000, 0.0024767500000000, 0.0030148500000000 ] - [ -0.0006454300000000, -0.0014991400000000, -0.0021404100000000 ] - [ -0.0006447000000000, -0.0014955100000000, -0.0021153500000000 ] - [ 0.0011438800000000, -0.0004640900000000, 0.0010841400000000 ] - [ 0.0013014900000000, -0.0004278700000000, 0.0017154500000000 ] - [ 0.0037206800000000, -0.0003035400000000, 0.0030546100000000 ] - [ 0.0037159100000000, -0.0002941700000000, 0.0030521100000000 ] - [ 0.0012713700000000, 0.0004630800000000, 0.0015661300000000 ] - [ 0.0012594600000000, 0.0004885900000000, 0.0015616000000000 ] - [ -0.0003981800000000, 0.0008934500000000, -0.0022533900000000 ] - [ -0.0004582900000000, 0.0004952300000000, -0.0022715600000000 ] - [ -0.0025949800000000, -0.0007547100000000, -0.0008805200000000 ] - [ -0.0026028800000000, -0.0007183200000000, -0.0008006500000000 ] - [ -0.0007532900000000, -0.0001045700000000, -0.0024222900000000 ] - [ -0.0007619800000000, -0.0000871000000000, -0.0024179400000000 ] - [ -0.0025533900000000, 0.0006655700000000, -0.0008046400000000 ] - [ -0.0026542200000000, 0.0008256400000000, -0.0008584200000000 ] - [ 0.0016752900000000, 0.0007212300000000, 0.0008329500000000 ] - [ 0.0016564600000000, 0.0007494400000000, 0.0008470400000000 ] - [ 0.0024865000000000, -0.0005235200000000, 0.0002127900000000 ] - [ 0.0012686600000000, 0.0003699600000000, -0.0000313700000000 ] - [ 0.0017574900000000, -0.0009632500000000, -0.0002029300000000 ] - [ 0.0012868300000000, -0.0002405500000000, -0.0000535500000000 ] - [ 0.0031280500000000, -0.0012812500000000, 0.0029630300000000 ] - [ 0.0031371200000000, -0.0011795700000000, 0.0029607100000000 ] - [ 0.0016371500000000, -0.0008374400000000, 0.0010079300000000 ] - [ 0.0017549200000000, -0.0005055300000000, 0.0005266000000000 ] - [ 0.0013945200000000, -0.0000163300000000, -0.0000489300000000 ] - [ 0.0013955000000000, -0.0000161700000000, -0.0000527800000000 ] - [ 0.0013498500000000, 0.0004654400000000, -0.0000961700000000 ] - [ 0.0013552600000000, 0.0004636400000000, -0.0001161100000000 ] - [ 0.0031433900000000, 0.0012287000000000, 0.0030158400000000 ] - [ 0.0031201800000000, 0.0012252900000000, 0.0028929000000000 ] - [ -0.0018079100000000, -0.0019118900000000, -0.0011606200000000 ] - [ -0.0011703400000000, -0.0010720700000000, -0.0011103400000000 ] - [ -0.0013708700000000, 0.0012921400000000, -0.0012107200000000 ] - [ -0.0013682700000000, 0.0012940200000000, -0.0011825200000000 ] - [ -0.0009621200000000, 0.0008061100000000, -0.0010769500000000 ] - [ 0.0001644900000000, 0.0016973500000000, -0.0014686600000000 ] - [ -0.0014410200000000, -0.0001380200000000, -0.0004952500000000 ] - [ -0.0014132000000000, -0.0003784500000000, -0.0001172300000000 ] - [ -0.0009348400000000, -0.0005116600000000, -0.0010403300000000 ] - [ -0.0009303800000000, -0.0005002600000000, -0.0010388600000000 ] - [ -0.0013957800000000, 0.0002721600000000, -0.0003065600000000 ] - [ -0.0013879700000000, 0.0003154100000000, -0.0002971800000000 ] - [ -0.0039058600000000, 0.0014495200000000, -0.0026363600000000 ] - [ -0.0023922500000000, -0.0009822600000000, -0.0003969200000000 ] - [ -0.0019736500000000, -0.0007725300000000, 0.0010045700000000 ] - [ -0.0020019300000000, -0.0007460500000000, 0.0011008300000000 ] - [ -0.0022962900000000, 0.0011833000000000, -0.0005247500000000 ] - [ -0.0022920500000000, 0.0011943700000000, -0.0005297300000000 ] - [ -0.0020323200000000, 0.0006903200000000, 0.0010716700000000 ] - [ -0.0019183800000000, 0.0008400600000000, 0.0010460700000000 ] - [ -0.0004990200000000, 0.0009816300000000, 0.0001861800000000 ] - [ -0.0004860200000000, 0.0010146900000000, 0.0001806100000000 ] - [ -0.0003130000000000, -0.0009326600000000, 0.0005197200000000 ] - [ -0.0005170300000000, -0.0009322400000000, 0.0000592500000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0027681300000000, -0.0023844800000000, 0.0028032500000000 ] - [ 0.0008943700000000, 0.0003226500000000, 0.0013967000000000 ] - [ 0.0003054400000000, -0.0001843000000000, -0.0001934800000000 ] - [ 0.0003272700000000, -0.0006766800000000, 0.0001955400000000 ] - [ 0.0006567600000000, 0.0005072300000000, 0.0008322000000000 ] - [ 0.0006577200000000, 0.0004784100000000, 0.0008432000000000 ] - [ 0.0003452600000000, 0.0004422200000000, -0.0000665100000000 ] - [ 0.0003573600000000, 0.0005254200000000, -0.0000295200000000 ] - [ -0.0006405100000000, -0.0009545600000000, -0.0001622600000000 ] - [ -0.0006394600000000, -0.0008483900000000, -0.0002914600000000 ] - [ -0.0026015500000000, -0.0024878700000000, -0.0005519100000000 ] - [ -0.0001861900000000, 0.0000539600000000, 0.0010813000000000 ] - [ -0.0006967300000000, 0.0010470000000000, -0.0000818800000000 ] - [ -0.0006392000000000, 0.0007667300000000, -0.0003503100000000 ] - [ -0.0002352800000000, 0.0007749900000000, 0.0009879800000000 ] - [ -0.0002327900000000, 0.0007570000000000, 0.0009781700000000 ] - [ 0.0035258200000000, 0.0018026200000000, -0.0011162800000000 ] - [ 0.0035923900000000, 0.0023812700000000, -0.0006013200000000 ] - [ 0.0064077700000000, -0.0056807200000000, -0.0034037200000000 ] - [ 0.0024424000000000, 0.0008986600000000, 0.0004572100000000 ] - [ 0.0035489500000000, -0.0022307500000000, -0.0007593600000000 ] - [ 0.0035345000000000, -0.0021775200000000, -0.0008181400000000 ] - [ 0.0023398000000000, -0.0001272500000000, 0.0006609300000000 ] - [ 0.0023387700000000, -0.0001056700000000, 0.0006737000000000 ] - [ -0.0030243800000000, -0.0049212300000000, 0.0031700000000000 ] - [ -0.0014003100000000, 0.0008294500000000, 0.0009974200000000 ] - [ 0.0004302400000000, -0.0024994100000000, -0.0014886400000000 ] - [ 0.0004031000000000, -0.0023262700000000, -0.0014117600000000 ] - [ -0.0013193900000000, 0.0001620500000000, 0.0003498600000000 ] - [ -0.0013169400000000, 0.0001861200000000, 0.0003356200000000 ] - [ 0.0004443300000000, 0.0020302800000000, -0.0013119400000000 ] - [ 0.0005251200000000, 0.0026956400000000, -0.0016412300000000 ] - [ -0.0042146600000000, 0.0264372200000000, -0.0026619200000000 ] - [ -0.0053479600000000, 0.0009571300000000, -0.0038376000000000 ] - [ -0.0009891000000000, 0.0019032700000000, -0.0014204100000000 ] - [ -0.0009568600000000, 0.0003938600000000, -0.0005183400000000 ] - [ 0.0010092600000000, 0.0013862600000000, 0.0023241900000000 ] - [ 0.0010114800000000, 0.0012618500000000, 0.0023861800000000 ] - [ -0.0052670000000000, -0.0014120700000000, -0.0038390900000000 ] - [ -0.0052678000000000, -0.0014124600000000, -0.0038362400000000 ] - [ -0.0009230200000000, -0.0006263800000000, -0.0004535600000000 ] - [ -0.0009230000000000, -0.0006298400000000, -0.0004363800000000 ] - [ -0.0008437300000000, 0.0019531500000000, -0.0021153600000000 ] - [ -0.0005651300000000, 0.0012871500000000, -0.0021553600000000 ] - [ 0.0009979500000000, -0.0013071500000000, 0.0023124300000000 ] - [ 0.0010065300000000, -0.0013083400000000, 0.0024293400000000 ] - [ 0.0013408400000000, -0.0072766800000000, 0.0008825900000000 ] - [ 0.0040623500000000, -0.0019126600000000, 0.0031412600000000 ] - [ -0.0006405100000000, -0.0015143800000000, -0.0020690100000000 ] - [ -0.0006411800000000, -0.0015179300000000, -0.0020941000000000 ] - [ 0.0013888200000000, -0.0004970300000000, 0.0020770300000000 ] - [ 0.0012330600000000, -0.0005342300000000, 0.0014467100000000 ] - [ 0.0037105600000000, -0.0003078700000000, 0.0030921300000000 ] - [ 0.0037153200000000, -0.0003172400000000, 0.0030947000000000 ] - [ 0.0012632400000000, 0.0004984000000000, 0.0015965100000000 ] - [ 0.0012752500000000, 0.0004729000000000, 0.0016013200000000 ] - [ -0.0011212800000000, -0.0007105200000000, -0.0025597400000000 ] - [ -0.0010540800000000, -0.0003127800000000, -0.0025477900000000 ] - [ -0.0026114300000000, -0.0007150700000000, -0.0007598500000000 ] - [ -0.0026034100000000, -0.0007509800000000, -0.0008395100000000 ] - [ -0.0007624200000000, -0.0000808200000000, -0.0023954800000000 ] - [ -0.0007536900000000, -0.0000983700000000, -0.0023998400000000 ] - [ -0.0026538600000000, 0.0008037700000000, -0.0008370500000000 ] - [ -0.0025519200000000, 0.0006423800000000, -0.0007814600000000 ] - [ 0.0016517900000000, 0.0007628100000000, 0.0008845300000000 ] - [ 0.0016706400000000, 0.0007345400000000, 0.0008703100000000 ] - [ 0.0003092100000000, 0.0005462300000000, -0.0002810200000000 ] - [ 0.0015320300000000, -0.0003443400000000, -0.0000353300000000 ] - [ 0.0009372900000000, 0.0000366900000000, 0.0000230500000000 ] - [ 0.0014080300000000, -0.0006874800000000, -0.0001263100000000 ] - [ 0.0031573600000000, -0.0011849700000000, 0.0029952500000000 ] - [ 0.0031481800000000, -0.0012866000000000, 0.0029972400000000 ] - [ 0.0016893200000000, -0.0006490800000000, 0.0007102200000000 ] - [ 0.0015723600000000, -0.0009779200000000, 0.0011899000000000 ] - [ 0.0014046400000000, -0.0000112900000000, -0.0000179000000000 ] - [ 0.0014036200000000, -0.0000114700000000, -0.0000140400000000 ] - [ 0.0013449700000000, 0.0004610200000000, -0.0000834300000000 ] - [ 0.0013394400000000, 0.0004629400000000, -0.0000633700000000 ] - [ 0.0031418000000000, 0.0012363500000000, 0.0029423700000000 ] - [ 0.0031655800000000, 0.0012402800000000, 0.0030656500000000 ] - [ -0.0009272000000000, -0.0006842700000000, -0.0011868000000000 ] - [ -0.0015654200000000, -0.0015265400000000, -0.0012349400000000 ] - [ -0.0013658700000000, 0.0013049700000000, -0.0011365400000000 ] - [ -0.0013685100000000, 0.0013032500000000, -0.0011646500000000 ] - [ -0.0009066900000000, 0.0001902800000000, -0.0009659700000000 ] - [ -0.0020597100000000, -0.0007090600000000, -0.0005679100000000 ] - [ -0.0013425700000000, -0.0004499100000000, -0.0000733500000000 ] - [ -0.0013701300000000, -0.0002091900000000, -0.0004513100000000 ] - [ -0.0009363100000000, -0.0004907500000000, -0.0010047000000000 ] - [ -0.0009407900000000, -0.0005022000000000, -0.0010061900000000 ] - [ -0.0013874100000000, 0.0003151500000000, -0.0002616000000000 ] - [ -0.0013951400000000, 0.0002714300000000, -0.0002707500000000 ] - [ -0.0007020200000000, -0.0037868900000000, 0.0015732000000000 ] - [ -0.0021907200000000, -0.0013933000000000, -0.0006303300000000 ] - [ -0.0019989400000000, -0.0007519500000000, 0.0011459500000000 ] - [ -0.0019707100000000, -0.0007780200000000, 0.0010496500000000 ] - [ -0.0022872300000000, 0.0011934700000000, -0.0005030000000000 ] - [ -0.0022915000000000, 0.0011823600000000, -0.0004979700000000 ] - [ -0.0019398200000000, 0.0008330500000000, 0.0010781900000000 ] - [ -0.0020545600000000, 0.0006832600000000, 0.0011049300000000 ] - [ -0.0004826000000000, 0.0010169400000000, 0.0002099600000000 ] - [ -0.0004956600000000, 0.0009840200000000, 0.0002152600000000 ] - [ -0.0006675400000000, -0.0010682900000000, -0.0001252600000000 ] - [ -0.0004646000000000, -0.0010666600000000, 0.0003373500000000 ]- atom: 33 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0050895300000000, -0.0028646700000000, 0.0057939800000000 ] - [ 0.0006916700000000, -0.0005657500000000, 0.0013529700000000 ] - [ 0.0003392400000000, -0.0001591900000000, -0.0001305200000000 ] - [ 0.0008920400000000, -0.0010228200000000, -0.0002991600000000 ] - [ 0.0006585100000000, 0.0005279700000000, 0.0005258300000000 ] - [ 0.0006495000000000, 0.0004774400000000, 0.0005127800000000 ] - [ 0.0003825900000000, 0.0005324400000000, -0.0003844900000000 ] - [ 0.0003390500000000, 0.0004253000000000, -0.0003064500000000 ] - [ -0.0007340700000000, -0.0010405000000000, -0.0005315800000000 ] - [ -0.0006531600000000, -0.0008265000000000, -0.0004457500000000 ] - [ 0.0034908000000000, 0.0007441900000000, 0.0061286600000000 ] - [ -0.0001674600000000, -0.0001937400000000, 0.0018595900000000 ] - [ -0.0005749000000000, 0.0007491000000000, -0.0003228500000000 ] - [ -0.0007232900000000, 0.0011088600000000, -0.0005358000000000 ] - [ -0.0002305500000000, 0.0007559600000000, 0.0007191300000000 ] - [ -0.0002315500000000, 0.0007644000000000, 0.0006969600000000 ] - [ 0.0031106200000000, 0.0026770800000000, -0.0012993100000000 ] - [ 0.0035809200000000, 0.0020942600000000, -0.0006777100000000 ] - [ -0.0008760900000000, 0.0036112000000000, 0.0058864600000000 ] - [ 0.0022968300000000, 0.0005078100000000, 0.0010944800000000 ] - [ 0.0035475700000000, -0.0022336000000000, -0.0011364100000000 ] - [ 0.0035191800000000, -0.0021754700000000, -0.0010379700000000 ] - [ 0.0023269100000000, -0.0001089000000000, 0.0003222800000000 ] - [ 0.0023412200000000, -0.0001378200000000, 0.0003688300000000 ] - [ -0.0018520000000000, -0.0009401400000000, 0.0061868300000000 ] - [ -0.0014346000000000, -0.0003732600000000, 0.0015981600000000 ] - [ 0.0005417900000000, -0.0021968200000000, -0.0019775100000000 ] - [ 0.0004108800000000, -0.0024790100000000, -0.0017411200000000 ] - [ -0.0013188300000000, 0.0001699700000000, -0.0000762300000000 ] - [ -0.0013124200000000, 0.0001804500000000, -0.0000330600000000 ] - [ 0.0002644300000000, 0.0016653600000000, -0.0021762800000000 ] - [ 0.0005780400000000, 0.0026618700000000, -0.0016617300000000 ] - [ -0.0104746600000000, 0.0001793400000000, -0.0361321500000000 ] - [ -0.0053829600000000, 0.0013930700000000, -0.0043190800000000 ] - [ -0.0007053600000000, 0.0010016400000000, 0.0113273500000000 ] - [ -0.0009246300000000, 0.0005366900000000, -0.0006042600000000 ] - [ 0.0009469000000000, 0.0012010700000000, 0.0028947700000000 ] - [ 0.0010049900000000, 0.0012825200000000, 0.0024365400000000 ] - [ -0.0052626400000000, -0.0013975000000000, -0.0036871300000000 ] - [ -0.0052583100000000, -0.0013947300000000, -0.0036959300000000 ] - [ -0.0009292900000000, -0.0006389300000000, -0.0003172100000000 ] - [ -0.0009374400000000, -0.0006574900000000, -0.0003211300000000 ] - [ -0.0004411800000000, 0.0027689800000000, -0.0000357300000000 ] - [ -0.0006464200000000, 0.0014090800000000, -0.0022178500000000 ] - [ 0.0009311000000000, -0.0012045700000000, 0.0025757300000000 ] - [ 0.0010227700000000, -0.0013343500000000, 0.0024776500000000 ] - [ 0.0047208300000000, 0.0022572600000000, 0.0021058000000000 ] - [ 0.0038431200000000, -0.0005660600000000, 0.0023604100000000 ] - [ -0.0006253100000000, -0.0016210700000000, -0.0018621400000000 ] - [ -0.0006198400000000, -0.0015702700000000, -0.0019194300000000 ] - [ 0.0013364300000000, -0.0006220100000000, 0.0018009400000000 ] - [ 0.0012986800000000, -0.0003316400000000, 0.0014518200000000 ] - [ 0.0036872500000000, -0.0003791200000000, 0.0032798700000000 ] - [ 0.0036901000000000, -0.0003727000000000, 0.0032582700000000 ] - [ 0.0012857100000000, 0.0005253400000000, 0.0017607200000000 ] - [ 0.0012820100000000, 0.0005123100000000, 0.0017185000000000 ] - [ -0.0015573800000000, -0.0012305000000000, -0.0026891100000000 ] - [ -0.0002130200000000, 0.0007858500000000, -0.0026438600000000 ] - [ -0.0026325100000000, -0.0007577100000000, -0.0007255000000000 ] - [ -0.0025608100000000, -0.0005939900000000, -0.0006682500000000 ] - [ -0.0007560000000000, -0.0000664600000000, -0.0022965800000000 ] - [ -0.0007584800000000, -0.0000657800000000, -0.0023081000000000 ] - [ -0.0025090900000000, 0.0005833800000000, -0.0005347900000000 ] - [ -0.0026066000000000, 0.0007004800000000, -0.0007592900000000 ] - [ 0.0016233200000000, 0.0008160500000000, 0.0010507300000000 ] - [ 0.0016453000000000, 0.0007870800000000, 0.0009941700000000 ] - [ 0.0006130100000000, 0.0000841200000000, -0.0015602500000000 ] - [ 0.0013375400000000, -0.0000359000000000, -0.0004255600000000 ] - [ 0.0012090700000000, -0.0003626400000000, -0.0000362000000000 ] - [ 0.0013908800000000, -0.0005696200000000, -0.0002193800000000 ] - [ 0.0031899200000000, -0.0012291200000000, 0.0031387600000000 ] - [ 0.0031648600000000, -0.0012594700000000, 0.0030499200000000 ] - [ 0.0017662800000000, -0.0005696200000000, 0.0007533800000000 ] - [ 0.0015177100000000, -0.0011116400000000, 0.0012519600000000 ] - [ 0.0014483100000000, 0.0000073000000000, 0.0001316700000000 ] - [ 0.0014424800000000, 0.0000105400000000, 0.0001283600000000 ] - [ 0.0013007000000000, 0.0004593300000000, 0.0000495400000000 ] - [ 0.0013085700000000, 0.0004406500000000, 0.0000501500000000 ] - [ 0.0032460800000000, 0.0012959900000000, 0.0031191400000000 ] - [ 0.0031745000000000, 0.0012118200000000, 0.0031389300000000 ] - [ -0.0012633700000000, -0.0012895700000000, -0.0010049200000000 ] - [ -0.0013830300000000, -0.0012805800000000, -0.0012993400000000 ] - [ -0.0013496600000000, 0.0013299000000000, -0.0009867600000000 ] - [ -0.0013584900000000, 0.0013687900000000, -0.0009729900000000 ] - [ -0.0010533900000000, 0.0010973200000000, -0.0017368700000000 ] - [ -0.0017097700000000, -0.0005574000000000, -0.0014554700000000 ] - [ -0.0013259700000000, -0.0005452400000000, -0.0001810800000000 ] - [ -0.0014487300000000, -0.0000957200000000, -0.0002459700000000 ] - [ -0.0009586900000000, -0.0004488200000000, -0.0008490500000000 ] - [ -0.0009650400000000, -0.0004626600000000, -0.0008670000000000 ] - [ -0.0013816700000000, 0.0002640500000000, -0.0000927900000000 ] - [ -0.0013925500000000, 0.0003112400000000, -0.0001376400000000 ] - [ -0.0009429300000000, -0.0037108300000000, 0.0005438400000000 ] - [ -0.0024545900000000, -0.0010568800000000, -0.0008037600000000 ] - [ -0.0020095300000000, -0.0008480900000000, 0.0012559600000000 ] - [ -0.0020451200000000, -0.0007107000000000, 0.0011460800000000 ] - [ -0.0022749600000000, 0.0011792200000000, -0.0003784900000000 ] - [ -0.0022760800000000, 0.0011792200000000, -0.0003950900000000 ] - [ -0.0020951500000000, 0.0008026300000000, 0.0013048000000000 ] - [ -0.0020406800000000, 0.0007337400000000, 0.0011527700000000 ] - [ -0.0004492000000000, 0.0009585000000000, 0.0004609700000000 ] - [ -0.0004735700000000, 0.0009866200000000, 0.0003438800000000 ] - [ -0.0004338300000000, -0.0007319900000000, 0.0003982900000000 ] - [ -0.0004829000000000, -0.0011152300000000, 0.0002014200000000 ]- atom: 33 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ -0.0036496500000000, 0.0018179900000000, -0.0039575300000000 ] - [ 0.0006276700000000, -0.0004139400000000, 0.0004031900000000 ] - [ 0.0003542200000000, -0.0008110700000000, 0.0001047200000000 ] - [ -0.0002031300000000, 0.0000523700000000, 0.0002696800000000 ] - [ 0.0006586000000000, 0.0004533200000000, 0.0012254500000000 ] - [ 0.0006676100000000, 0.0005040700000000, 0.0012386200000000 ] - [ 0.0003105100000000, 0.0004390500000000, 0.0003576600000000 ] - [ 0.0003536300000000, 0.0005450800000000, 0.0002802000000000 ] - [ -0.0005601700000000, -0.0007695200000000, 0.0001429200000000 ] - [ -0.0006418500000000, -0.0009843000000000, 0.0000572700000000 ] - [ -0.0040572500000000, -0.0023283200000000, -0.0041452300000000 ] - [ -0.0003020400000000, -0.0013377800000000, 0.0001731300000000 ] - [ -0.0007198700000000, 0.0010603100000000, -0.0000640200000000 ] - [ -0.0005721500000000, 0.0007028400000000, 0.0001480500000000 ] - [ -0.0002372400000000, 0.0007763900000000, 0.0013118100000000 ] - [ -0.0002363500000000, 0.0007682500000000, 0.0013339000000000 ] - [ 0.0039857300000000, 0.0017245300000000, -0.0002094900000000 ] - [ 0.0035125500000000, 0.0023095100000000, -0.0008289300000000 ] - [ 0.0054674600000000, -0.0032766400000000, -0.0043926400000000 ] - [ 0.0023804800000000, -0.0002816800000000, 0.0003174800000000 ] - [ 0.0035459800000000, -0.0021713500000000, -0.0003703200000000 ] - [ 0.0035742500000000, -0.0022291400000000, -0.0004679400000000 ] - [ 0.0023516100000000, -0.0001168700000000, 0.0010863300000000 ] - [ 0.0023372400000000, -0.0000877100000000, 0.0010397100000000 ] - [ -0.0006794700000000, 0.0007475400000000, -0.0055597700000000 ] - [ -0.0012016300000000, 0.0000195600000000, -0.0008163800000000 ] - [ 0.0003043400000000, -0.0025966500000000, -0.0008172600000000 ] - [ 0.0004365400000000, -0.0023125200000000, -0.0010544300000000 ] - [ -0.0013185000000000, 0.0001805600000000, 0.0008553000000000 ] - [ -0.0013247600000000, 0.0001701600000000, 0.0008123300000000 ] - [ 0.0005825700000000, 0.0031194300000000, -0.0006200300000000 ] - [ 0.0002700400000000, 0.0021309000000000, -0.0011316900000000 ] - [ -0.0000796400000000, 0.0024983100000000, 0.0287820600000000 ] - [ -0.0051529900000000, 0.0014343700000000, -0.0033915200000000 ] - [ -0.0011373400000000, 0.0002423500000000, -0.0125435200000000 ] - [ -0.0009182600000000, 0.0007142800000000, -0.0003138200000000 ] - [ 0.0010730300000000, 0.0014379900000000, 0.0018300500000000 ] - [ 0.0010142400000000, 0.0013552700000000, 0.0022917400000000 ] - [ -0.0052738600000000, -0.0014302300000000, -0.0040225000000000 ] - [ -0.0052782300000000, -0.0014330500000000, -0.0040137200000000 ] - [ -0.0009138100000000, -0.0006118900000000, -0.0006002700000000 ] - [ -0.0009057300000000, -0.0005935100000000, -0.0005963800000000 ] - [ -0.0008405600000000, 0.0002659000000000, -0.0041280500000000 ] - [ -0.0006389800000000, 0.0016043100000000, -0.0019916600000000 ] - [ 0.0010873700000000, -0.0014325700000000, 0.0021529900000000 ] - [ 0.0009967000000000, -0.0013040700000000, 0.0022501200000000 ] - [ 0.0027037900000000, -0.0016637900000000, 0.0040235000000000 ] - [ 0.0035879800000000, 0.0011802600000000, 0.0037779000000000 ] - [ -0.0006598700000000, -0.0013935100000000, -0.0023452900000000 ] - [ -0.0006652600000000, -0.0014446200000000, -0.0022876300000000 ] - [ 0.0011975100000000, -0.0003465700000000, 0.0013689400000000 ] - [ 0.0012361000000000, -0.0006313700000000, 0.0017127200000000 ] - [ 0.0037445800000000, -0.0002309400000000, 0.0028653200000000 ] - [ 0.0037417000000000, -0.0002374200000000, 0.0028870500000000 ] - [ 0.0012492000000000, 0.0004377100000000, 0.0014038300000000 ] - [ 0.0012528600000000, 0.0004507200000000, 0.0014457800000000 ] - [ 0.0000446500000000, 0.0014210100000000, -0.0021265100000000 ] - [ -0.0013031200000000, -0.0006024000000000, -0.0021743500000000 ] - [ -0.0025749800000000, -0.0007124000000000, -0.0009149700000000 ] - [ -0.0026465600000000, -0.0008763300000000, -0.0009724800000000 ] - [ -0.0007611800000000, -0.0001176700000000, -0.0025199100000000 ] - [ -0.0007587600000000, -0.0001183000000000, -0.0025084700000000 ] - [ -0.0026973500000000, 0.0008855400000000, -0.0011052000000000 ] - [ -0.0026010000000000, 0.0007698300000000, -0.0008825100000000 ] - [ 0.0017026400000000, 0.0006698000000000, 0.0006680200000000 ] - [ 0.0016805000000000, 0.0006988300000000, 0.0007246800000000 ] - [ 0.0021699600000000, -0.0000610700000000, 0.0014878900000000 ] - [ 0.0014600800000000, 0.0000648600000000, 0.0003561100000000 ] - [ 0.0014833500000000, -0.0005651000000000, -0.0001399400000000 ] - [ 0.0013031400000000, -0.0003556300000000, 0.0000408400000000 ] - [ 0.0030949500000000, -0.0012354100000000, 0.0028194100000000 ] - [ 0.0031195900000000, -0.0012051400000000, 0.0029078900000000 ] - [ 0.0015605600000000, -0.0009148600000000, 0.0009631600000000 ] - [ 0.0018076300000000, -0.0003753900000000, 0.0004671300000000 ] - [ 0.0013498100000000, -0.0000360300000000, -0.0001998100000000 ] - [ 0.0013556000000000, -0.0000393200000000, -0.0001965100000000 ] - [ 0.0013931900000000, 0.0004661300000000, -0.0002274200000000 ] - [ 0.0013853500000000, 0.0004846700000000, -0.0002280300000000 ] - [ 0.0030391000000000, 0.0011688900000000, 0.0028386600000000 ] - [ 0.0031099800000000, 0.0012524000000000, 0.0028187100000000 ] - [ -0.0014725100000000, -0.0013063800000000, -0.0013432600000000 ] - [ -0.0013549500000000, -0.0013160500000000, -0.0010488900000000 ] - [ -0.0013875900000000, 0.0012668300000000, -0.0013593700000000 ] - [ -0.0013787200000000, 0.0012278000000000, -0.0013732500000000 ] - [ -0.0008196500000000, -0.0000943000000000, -0.0003138700000000 ] - [ -0.0001675700000000, 0.0015498900000000, -0.0005989700000000 ] - [ -0.0014568500000000, -0.0000429800000000, -0.0003861200000000 ] - [ -0.0013317600000000, -0.0004908400000000, -0.0003172700000000 ] - [ -0.0009135700000000, -0.0005514500000000, -0.0011972700000000 ] - [ -0.0009071500000000, -0.0005375400000000, -0.0011792400000000 ] - [ -0.0014010900000000, 0.0003236500000000, -0.0004742700000000 ] - [ -0.0013902900000000, 0.0002769400000000, -0.0004297600000000 ] - [ -0.0036502000000000, 0.0013526200000000, -0.0015781900000000 ] - [ -0.0021294200000000, -0.0013187200000000, -0.0002231200000000 ] - [ -0.0019620500000000, -0.0006765600000000, 0.0008945500000000 ] - [ -0.0019263000000000, -0.0008143000000000, 0.0010044100000000 ] - [ -0.0023080000000000, 0.0011990300000000, -0.0006479700000000 ] - [ -0.0023068800000000, 0.0011990100000000, -0.0006315100000000 ] - [ -0.0018769500000000, 0.0007221300000000, 0.0008460000000000 ] - [ -0.0019304100000000, 0.0007909100000000, 0.0009970500000000 ] - [ -0.0005313100000000, 0.0010415400000000, -0.0000635700000000 ] - [ -0.0005067200000000, 0.0010132000000000, 0.0000543700000000 ] - [ -0.0005473500000000, -0.0012683500000000, -0.0000019400000000 ] - [ -0.0004973200000000, -0.0008853300000000, 0.0001953700000000 ]- atom: 35 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0005585100000000, -0.0004019900000000, 0.0008968700000000 ] - [ 0.0006061200000000, -0.0006017600000000, 0.0008166900000000 ] - [ 0.0001713400000000, -0.0006697900000000, 0.0000137100000000 ] - [ 0.0072070300000000, -0.0041804300000000, -0.0058004900000000 ] - [ 0.0006651600000000, 0.0005056700000000, 0.0008955200000000 ] - [ 0.0006589800000000, 0.0004756800000000, 0.0009148900000000 ] - [ 0.0003471700000000, 0.0004930000000000, 0.0000137800000000 ] - [ 0.0003444100000000, 0.0004804300000000, 0.0000091200000000 ] - [ -0.0006859300000000, -0.0008836700000000, -0.0002760100000000 ] - [ -0.0006837600000000, -0.0008598900000000, -0.0002252200000000 ] - [ 0.0081528800000000, 0.0028821200000000, -0.0051083200000000 ] - [ -0.0005245800000000, -0.0006119500000000, 0.0009357100000000 ] - [ -0.0006393500000000, 0.0008794000000000, -0.0001860500000000 ] - [ -0.0006510200000000, 0.0009306700000000, -0.0001499400000000 ] - [ -0.0002348900000000, 0.0007678100000000, 0.0010371800000000 ] - [ -0.0002336400000000, 0.0007655900000000, 0.0010413500000000 ] - [ 0.0061407100000000, -0.0000303000000000, 0.0012915000000000 ] - [ 0.0036994800000000, 0.0020485200000000, -0.0007978900000000 ] - [ 0.0024099400000000, 0.0001476600000000, 0.0007449400000000 ] - [ 0.0023938600000000, -0.0000662400000000, 0.0007450800000000 ] - [ 0.0035470400000000, -0.0021985200000000, -0.0007344900000000 ] - [ 0.0035480400000000, -0.0022050600000000, -0.0007219200000000 ] - [ 0.0023345200000000, -0.0001191100000000, 0.0007183200000000 ] - [ 0.0023403300000000, -0.0000971300000000, 0.0007407500000000 ] - [ 0.0023514200000000, 0.0021501700000000, 0.0018537900000000 ] - [ -0.0009727000000000, -0.0000753200000000, 0.0003175600000000 ] - [ 0.0005332700000000, -0.0024263500000000, -0.0013855500000000 ] - [ 0.0005458800000000, -0.0022501100000000, -0.0013680000000000 ] - [ -0.0013183200000000, 0.0001758200000000, 0.0004178900000000 ] - [ -0.0013179800000000, 0.0001775900000000, 0.0004277000000000 ] - [ 0.0004214800000000, 0.0024292500000000, -0.0013976600000000 ] - [ 0.0004199500000000, 0.0023433800000000, -0.0013348600000000 ] - [ -0.0066148400000000, 0.0014775500000000, -0.0037143300000000 ] - [ -0.0053039500000000, 0.0014482800000000, -0.0038572100000000 ] - [ -0.0335313000000000, -0.0027212800000000, 0.0091022800000000 ] - [ -0.0010234100000000, 0.0006373500000000, -0.0004173800000000 ] - [ 0.0006067100000000, 0.0013521600000000, 0.0023478600000000 ] - [ 0.0009687700000000, 0.0013283400000000, 0.0023693900000000 ] - [ -0.0052692400000000, -0.0014145200000000, -0.0038608700000000 ] - [ -0.0052695500000000, -0.0014145600000000, -0.0038690200000000 ] - [ -0.0009204300000000, -0.0006235200000000, -0.0004671300000000 ] - [ -0.0009215600000000, -0.0006229600000000, -0.0004728100000000 ] - [ -0.0006282500000000, 0.0014630100000000, -0.0021249300000000 ] - [ -0.0006567400000000, 0.0015247400000000, -0.0021066900000000 ] - [ 0.0010101600000000, -0.0013192300000000, 0.0023644200000000 ] - [ 0.0010103800000000, -0.0013231700000000, 0.0023424100000000 ] - [ 0.0035187200000000, 0.0004773600000000, 0.0036574100000000 ] - [ 0.0036979700000000, 0.0003208800000000, 0.0031162800000000 ] - [ -0.0006593800000000, -0.0015104000000000, -0.0020809700000000 ] - [ -0.0006702800000000, -0.0015077000000000, -0.0021464100000000 ] - [ 0.0019280000000000, 0.0033762700000000, 0.0001172600000000 ] - [ 0.0011519000000000, -0.0006258300000000, 0.0017967400000000 ] - [ 0.0037156400000000, -0.0002976200000000, 0.0030619500000000 ] - [ 0.0037200500000000, -0.0003043300000000, 0.0030596000000000 ] - [ 0.0012673800000000, 0.0004768900000000, 0.0015703800000000 ] - [ 0.0012652100000000, 0.0004794200000000, 0.0015682300000000 ] - [ -0.0003971300000000, 0.0006336900000000, -0.0026467800000000 ] - [ 0.0010153700000000, -0.0010062100000000, -0.0015192000000000 ] - [ -0.0025979600000000, -0.0007521700000000, -0.0008608000000000 ] - [ -0.0026104300000000, -0.0010528500000000, -0.0012145300000000 ] - [ -0.0007577500000000, -0.0000944100000000, -0.0024162100000000 ] - [ -0.0007573500000000, -0.0000949800000000, -0.0024169400000000 ] - [ -0.0025958300000000, 0.0007267000000000, -0.0008242100000000 ] - [ -0.0026114500000000, 0.0007538200000000, -0.0008351500000000 ] - [ 0.0016468300000000, 0.0007493900000000, 0.0008517000000000 ] - [ 0.0016721100000000, 0.0007232100000000, 0.0008458200000000 ] - [ 0.0018080600000000, -0.0003245500000000, 0.0000251900000000 ] - [ 0.0014400400000000, 0.0000138400000000, -0.0000090900000000 ] - [ 0.0076516500000000, 0.0006572000000000, -0.0010656300000000 ] - [ 0.0014618200000000, -0.0004601900000000, -0.0000487200000000 ] - [ 0.0033991200000000, -0.0010335300000000, 0.0029689300000000 ] - [ 0.0031997300000000, -0.0012187600000000, 0.0029749200000000 ] - [ 0.0016716700000000, -0.0007416600000000, 0.0008687500000000 ] - [ 0.0016848100000000, -0.0007210800000000, 0.0008131900000000 ] - [ 0.0013977700000000, -0.0000151900000000, -0.0000418700000000 ] - [ 0.0013954000000000, -0.0000145100000000, -0.0000482200000000 ] - [ 0.0013505500000000, 0.0004646100000000, -0.0000979100000000 ] - [ 0.0013520700000000, 0.0004646300000000, -0.0001027500000000 ] - [ 0.0031414300000000, 0.0012330500000000, 0.0029766800000000 ] - [ 0.0031355800000000, 0.0012306100000000, 0.0029587400000000 ] - [ -0.0013876300000000, -0.0013552200000000, -0.0011742400000000 ] - [ -0.0013487200000000, -0.0012757800000000, -0.0011848600000000 ] - [ -0.0013626000000000, 0.0012946300000000, -0.0011817200000000 ] - [ -0.0013580000000000, 0.0012966500000000, -0.0012047700000000 ] - [ -0.0008769300000000, 0.0005007800000000, -0.0010755900000000 ] - [ -0.0009378200000000, 0.0007415600000000, -0.0016638100000000 ] - [ -0.0012583200000000, -0.0006696600000000, -0.0003519500000000 ] - [ 0.0014815300000000, 0.0019773600000000, 0.0017307800000000 ] - [ -0.0009310700000000, -0.0004984900000000, -0.0010333600000000 ] - [ -0.0009365500000000, -0.0005096700000000, -0.0010340000000000 ] - [ -0.0013920700000000, 0.0002907900000000, -0.0002966500000000 ] - [ -0.0013911200000000, 0.0002974100000000, -0.0002957600000000 ] - [ -0.0017272100000000, -0.0043605700000000, -0.0018349900000000 ] - [ -0.0024405800000000, -0.0009053000000000, -0.0004552000000000 ] - [ -0.0021654300000000, -0.0007701900000000, 0.0012728900000000 ] - [ -0.0020388100000000, -0.0007551200000000, 0.0011076500000000 ] - [ -0.0022928100000000, 0.0011888300000000, -0.0005221700000000 ] - [ -0.0022938900000000, 0.0011886300000000, -0.0005239400000000 ] - [ -0.0019899200000000, 0.0007508900000000, 0.0010686400000000 ] - [ -0.0019730600000000, 0.0007722600000000, 0.0010619900000000 ] - [ -0.0004802000000000, 0.0010151300000000, 0.0001877300000000 ] - [ -0.0005057600000000, 0.0009890000000000, 0.0001846200000000 ] - [ -0.0004969300000000, -0.0009972700000000, 0.0002316700000000 ] - [ -0.0005195000000000, -0.0009795900000000, 0.0001487000000000 ]- atom: 35 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0007634000000000, -0.0005823500000000, 0.0008563400000000 ] - [ 0.0007113700000000, -0.0003790200000000, 0.0009363500000000 ] - [ 0.0005220000000000, -0.0002974200000000, -0.0000396100000000 ] - [ -0.0063385300000000, 0.0030831400000000, 0.0056045100000000 ] - [ 0.0006525600000000, 0.0004764900000000, 0.0008574200000000 ] - [ 0.0006585500000000, 0.0005054000000000, 0.0008382700000000 ] - [ 0.0003456300000000, 0.0004776400000000, -0.0000391500000000 ] - [ 0.0003484500000000, 0.0004903700000000, -0.0000343900000000 ] - [ -0.0006125400000000, -0.0009302900000000, -0.0001113700000000 ] - [ -0.0006111400000000, -0.0009504000000000, -0.0001624400000000 ] - [ -0.0088938600000000, -0.0045534300000000, 0.0073513200000000 ] - [ 0.0000576100000000, -0.0009184900000000, 0.0010971900000000 ] - [ -0.0006555700000000, 0.0009323700000000, -0.0002017500000000 ] - [ -0.0006440700000000, 0.0008802200000000, -0.0002383200000000 ] - [ -0.0002330700000000, 0.0007647100000000, 0.0009959100000000 ] - [ -0.0002342700000000, 0.0007667200000000, 0.0009916300000000 ] - [ 0.0008858200000000, 0.0045160400000000, -0.0028638400000000 ] - [ 0.0033913300000000, 0.0023562700000000, -0.0007079200000000 ] - [ 0.0022653500000000, 0.0000800000000000, 0.0006665300000000 ] - [ 0.0022832900000000, 0.0002936700000000, 0.0006645000000000 ] - [ 0.0035459900000000, -0.0022048900000000, -0.0007708600000000 ] - [ 0.0035450200000000, -0.0021983400000000, -0.0007835300000000 ] - [ 0.0023433300000000, -0.0001057900000000, 0.0006914200000000 ] - [ 0.0023379200000000, -0.0001280500000000, 0.0006698500000000 ] - [ -0.0049514200000000, -0.0024030900000000, -0.0010122100000000 ] - [ -0.0016610300000000, -0.0002742100000000, 0.0004637100000000 ] - [ 0.0003171300000000, -0.0023612500000000, -0.0014090200000000 ] - [ 0.0003034300000000, -0.0025389400000000, -0.0014237300000000 ] - [ -0.0013179300000000, 0.0001769700000000, 0.0003627900000000 ] - [ -0.0013183600000000, 0.0001750300000000, 0.0003532000000000 ] - [ 0.0004266300000000, 0.0023633400000000, -0.0013941800000000 ] - [ 0.0004280100000000, 0.0024487900000000, -0.0014582700000000 ] - [ -0.0039232500000000, 0.0013443100000000, -0.0040368200000000 ] - [ -0.0052339900000000, 0.0013782500000000, -0.0038499300000000 ] - [ 0.0317199200000000, 0.0040600800000000, -0.0100044700000000 ] - [ -0.0008195700000000, 0.0006124100000000, -0.0005023700000000 ] - [ 0.0014093900000000, 0.0012830600000000, 0.0023973900000000 ] - [ 0.0010492900000000, 0.0013088800000000, 0.0023598000000000 ] - [ -0.0052687200000000, -0.0014123100000000, -0.0038465000000000 ] - [ -0.0052684000000000, -0.0014122000000000, -0.0038385000000000 ] - [ -0.0009232500000000, -0.0006266900000000, -0.0004521400000000 ] - [ -0.0009221200000000, -0.0006272300000000, -0.0004464300000000 ] - [ -0.0006581000000000, 0.0015491400000000, -0.0020857700000000 ] - [ -0.0006292100000000, 0.0014881500000000, -0.0021023800000000 ] - [ 0.0010081900000000, -0.0013183100000000, 0.0023645800000000 ] - [ 0.0010079000000000, -0.0013141900000000, 0.0023868100000000 ] - [ 0.0039118200000000, 0.0001341800000000, 0.0024925000000000 ] - [ 0.0037334100000000, 0.0002912700000000, 0.0030317000000000 ] - [ -0.0006263700000000, -0.0015027400000000, -0.0021279200000000 ] - [ -0.0006160100000000, -0.0015050100000000, -0.0020637300000000 ] - [ 0.0005930200000000, -0.0043309700000000, 0.0030447500000000 ] - [ 0.0013824300000000, -0.0003346200000000, 0.0013654500000000 ] - [ 0.0037156400000000, -0.0003138900000000, 0.0030859800000000 ] - [ 0.0037113000000000, -0.0003072000000000, 0.0030881600000000 ] - [ 0.0012675100000000, 0.0004847800000000, 0.0015918100000000 ] - [ 0.0012697300000000, 0.0004822000000000, 0.0015940300000000 ] - [ -0.0011201200000000, -0.0004527500000000, -0.0021691800000000 ] - [ -0.0025139100000000, 0.0011642800000000, -0.0032872200000000 ] - [ -0.0026086000000000, -0.0007173000000000, -0.0007790300000000 ] - [ -0.0025973300000000, -0.0004199200000000, -0.0004313500000000 ] - [ -0.0007578300000000, -0.0000905600000000, -0.0024010300000000 ] - [ -0.0007581900000000, -0.0000900800000000, -0.0024004300000000 ] - [ -0.0026103000000000, 0.0007424900000000, -0.0008163800000000 ] - [ -0.0025944000000000, 0.0007149400000000, -0.0008050800000000 ] - [ 0.0016805500000000, 0.0007350500000000, 0.0008652300000000 ] - [ 0.0016559200000000, 0.0007605600000000, 0.0008705900000000 ] - [ 0.0009885600000000, 0.0003528400000000, -0.0000927000000000 ] - [ 0.0013599500000000, 0.0000125200000000, -0.0000564900000000 ] - [ -0.0048366200000000, -0.0015500200000000, 0.0008769400000000 ] - [ 0.0012327700000000, -0.0004681400000000, -0.0001312900000000 ] - [ 0.0028857100000000, -0.0014310200000000, 0.0029899500000000 ] - [ 0.0030865500000000, -0.0012473300000000, 0.0029839300000000 ] - [ 0.0016561000000000, -0.0007425200000000, 0.0008480400000000 ] - [ 0.0016429000000000, -0.0007628700000000, 0.0009037700000000 ] - [ 0.0014020400000000, -0.0000118400000000, -0.0000239000000000 ] - [ 0.0014044500000000, -0.0000122600000000, -0.0000176900000000 ] - [ 0.0013444100000000, 0.0004621400000000, -0.0000819300000000 ] - [ 0.0013428500000000, 0.0004621400000000, -0.0000770500000000 ] - [ 0.0031447900000000, 0.0012325100000000, 0.0029821600000000 ] - [ 0.0031508100000000, 0.0012351100000000, 0.0030002400000000 ] - [ -0.0013484000000000, -0.0012418900000000, -0.0011726600000000 ] - [ -0.0013875900000000, -0.0013223200000000, -0.0011619000000000 ] - [ -0.0013734800000000, 0.0013029800000000, -0.0011652700000000 ] - [ -0.0013780700000000, 0.0013014700000000, -0.0011423500000000 ] - [ -0.0009943700000000, 0.0004999300000000, -0.0009690900000000 ] - [ -0.0009336000000000, 0.0002573100000000, -0.0003720200000000 ] - [ -0.0015254500000000, 0.0000822100000000, -0.0002155600000000 ] - [ -0.0043118000000000, -0.0026060400000000, -0.0023334700000000 ] - [ -0.0009401300000000, -0.0005028500000000, -0.0010109800000000 ] - [ -0.0009348400000000, -0.0004920600000000, -0.0010105500000000 ] - [ -0.0013912600000000, 0.0002974100000000, -0.0002711400000000 ] - [ -0.0013919600000000, 0.0002906300000000, -0.0002721400000000 ] - [ -0.0028495100000000, 0.0020031300000000, 0.0008129300000000 ] - [ -0.0021423600000000, -0.0014711500000000, -0.0005726500000000 ] - [ -0.0018053400000000, -0.0007534800000000, 0.0008755800000000 ] - [ -0.0019344100000000, -0.0007674500000000, 0.0010427800000000 ] - [ -0.0022911300000000, 0.0011881600000000, -0.0005051000000000 ] - [ -0.0022900100000000, 0.0011883400000000, -0.0005034100000000 ] - [ -0.0019831700000000, 0.0007724000000000, 0.0010815700000000 ] - [ -0.0020002800000000, 0.0007509000000000, 0.0010884400000000 ] - [ -0.0005013300000000, 0.0009830100000000, 0.0002097300000000 ] - [ -0.0004766500000000, 0.0010096500000000, 0.0002104100000000 ] - [ -0.0004851000000000, -0.0010016400000000, 0.0001633200000000 ] - [ -0.0004623400000000, -0.0010191900000000, 0.0002470500000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005971400000000, -0.0002228800000000, 0.0009738300000000 ] - [ 0.0006554600000000, -0.0008552300000000, 0.0007262400000000 ] - [ 0.0002491800000000, -0.0012304900000000, 0.0002167300000000 ] - [ -0.0032057700000000, 0.0017246100000000, 0.0031880500000000 ] - [ 0.0006605100000000, 0.0004445700000000, 0.0008644500000000 ] - [ 0.0006601600000000, 0.0005402700000000, 0.0007919700000000 ] - [ 0.0003507000000000, 0.0004996800000000, -0.0000573200000000 ] - [ 0.0003446600000000, 0.0004657200000000, -0.0000614500000000 ] - [ -0.0006419600000000, -0.0007207900000000, -0.0005380300000000 ] - [ -0.0006730100000000, -0.0010892200000000, -0.0000328900000000 ] - [ 0.0031642400000000, 0.0009586000000000, -0.0007206800000000 ] - [ -0.0002186400000000, -0.0018087600000000, 0.0010430700000000 ] - [ -0.0006383300000000, 0.0008497100000000, -0.0002646500000000 ] - [ -0.0006573100000000, 0.0009589300000000, -0.0002099800000000 ] - [ -0.0002319600000000, 0.0007561600000000, 0.0009778100000000 ] - [ -0.0002354500000000, 0.0007740900000000, 0.0009665400000000 ] - [ 0.0008367700000000, 0.0062780000000000, -0.0030195900000000 ] - [ 0.0034965900000000, 0.0013482500000000, -0.0008261800000000 ] - [ 0.0024053500000000, 0.0004218400000000, 0.0003794500000000 ] - [ 0.0023215600000000, -0.0001123600000000, 0.0008712800000000 ] - [ 0.0035434600000000, -0.0021946700000000, -0.0008100700000000 ] - [ 0.0035453500000000, -0.0022080100000000, -0.0007909600000000 ] - [ 0.0023336700000000, -0.0000570700000000, 0.0006828600000000 ] - [ 0.0023369400000000, -0.0001636400000000, 0.0006222100000000 ] - [ 0.0017285100000000, 0.0072379100000000, 0.0043756400000000 ] - [ -0.0013075300000000, -0.0013556200000000, 0.0007891300000000 ] - [ 0.0004546800000000, -0.0018349200000000, -0.0013511300000000 ] - [ 0.0004076700000000, -0.0028760900000000, -0.0015136300000000 ] - [ -0.0013153900000000, 0.0001880300000000, 0.0003321500000000 ] - [ -0.0013201400000000, 0.0001627800000000, 0.0003220700000000 ] - [ 0.0004231600000000, 0.0024632400000000, -0.0015279300000000 ] - [ 0.0004244000000000, 0.0023403700000000, -0.0013981400000000 ] - [ -0.0052269000000000, 0.0001375500000000, -0.0034900800000000 ] - [ -0.0052155100000000, 0.0016445200000000, -0.0039400600000000 ] - [ -0.0043822400000000, -0.0294077600000000, -0.0031054900000000 ] - [ -0.0009093500000000, 0.0010275000000000, -0.0004316400000000 ] - [ 0.0009873100000000, 0.0007765800000000, 0.0026292900000000 ] - [ 0.0009822400000000, 0.0015129100000000, 0.0022804800000000 ] - [ -0.0052702400000000, -0.0014127500000000, -0.0038397600000000 ] - [ -0.0052668900000000, -0.0014092100000000, -0.0038212500000000 ] - [ -0.0009232800000000, -0.0006282800000000, -0.0004402700000000 ] - [ -0.0009239100000000, -0.0006285800000000, -0.0004385100000000 ] - [ -0.0006175200000000, 0.0014587300000000, -0.0020831900000000 ] - [ -0.0006681400000000, 0.0015657300000000, -0.0020845000000000 ] - [ 0.0010091800000000, -0.0013088900000000, 0.0024053700000000 ] - [ 0.0010106000000000, -0.0013189400000000, 0.0023694200000000 ] - [ 0.0034188100000000, 0.0006090700000000, 0.0038234100000000 ] - [ 0.0037540700000000, 0.0003083000000000, 0.0029043600000000 ] - [ -0.0006352200000000, -0.0015393000000000, -0.0021386600000000 ] - [ -0.0006157700000000, -0.0014977500000000, -0.0020017100000000 ] - [ 0.0046996800000000, 0.0081004700000000, -0.0021641500000000 ] - [ 0.0013670500000000, -0.0000638300000000, 0.0014759900000000 ] - [ 0.0037188400000000, -0.0003306100000000, 0.0031030300000000 ] - [ 0.0037038900000000, -0.0003001000000000, 0.0031000000000000 ] - [ 0.0012723800000000, 0.0004815200000000, 0.0016049200000000 ] - [ 0.0012677000000000, 0.0004908300000000, 0.0016028000000000 ] - [ -0.0004102900000000, 0.0008813700000000, -0.0029054500000000 ] - [ -0.0017885600000000, 0.0016600300000000, -0.0031458000000000 ] - [ -0.0025632500000000, -0.0008733700000000, -0.0010223900000000 ] - [ -0.0024729300000000, -0.0003602800000000, -0.0004200900000000 ] - [ -0.0007538600000000, -0.0000957600000000, -0.0023945400000000 ] - [ -0.0007625500000000, -0.0000813600000000, -0.0023918900000000 ] - [ -0.0025885700000000, 0.0007012800000000, -0.0007903000000000 ] - [ -0.0026188500000000, 0.0007520600000000, -0.0008133200000000 ] - [ 0.0016968400000000, 0.0006941600000000, 0.0008506000000000 ] - [ 0.0016150900000000, 0.0008062800000000, 0.0008883400000000 ] - [ 0.0018537500000000, -0.0004709400000000, 0.0001807600000000 ] - [ 0.0013083500000000, 0.0002486700000000, -0.0000993200000000 ] - [ 0.0024603100000000, -0.0010529100000000, -0.0003908400000000 ] - [ 0.0012746100000000, -0.0000155200000000, -0.0000814000000000 ] - [ 0.0029601400000000, -0.0016063600000000, 0.0029876800000000 ] - [ 0.0031829800000000, -0.0010095200000000, 0.0028611500000000 ] - [ 0.0016571800000000, -0.0007534900000000, 0.0009290000000000 ] - [ 0.0016684700000000, -0.0007463200000000, 0.0008447800000000 ] - [ 0.0014021300000000, -0.0000126400000000, -0.0000195800000000 ] - [ 0.0014112500000000, -0.0000091900000000, -0.0000013500000000 ] - [ 0.0013406800000000, 0.0004627800000000, -0.0000701600000000 ] - [ 0.0013417100000000, 0.0004598500000000, -0.0000695500000000 ] - [ 0.0031559900000000, 0.0012368600000000, 0.0030194300000000 ] - [ 0.0031439400000000, 0.0012308800000000, 0.0029874400000000 ] - [ -0.0013969100000000, -0.0013887700000000, -0.0011244200000000 ] - [ -0.0013280300000000, -0.0012183700000000, -0.0011603000000000 ] - [ -0.0013643100000000, 0.0012944100000000, -0.0012182700000000 ] - [ -0.0013694400000000, 0.0013200200000000, -0.0010848600000000 ] - [ -0.0010364400000000, 0.0006097500000000, -0.0008218200000000 ] - [ -0.0008938600000000, 0.0005475100000000, -0.0013807300000000 ] - [ -0.0013216900000000, 0.0000605600000000, -0.0003852700000000 ] - [ 0.0006980100000000, 0.0014637700000000, 0.0012618800000000 ] - [ -0.0009456700000000, -0.0005117700000000, -0.0009950100000000 ] - [ -0.0009291100000000, -0.0004746800000000, -0.0010015500000000 ] - [ -0.0013922900000000, 0.0002847600000000, -0.0002599200000000 ] - [ -0.0013902800000000, 0.0003021600000000, -0.0002604600000000 ] - [ -0.0050057700000000, 0.0041286700000000, 0.0016024200000000 ] - [ -0.0024932800000000, -0.0008208700000000, -0.0005905500000000 ] - [ -0.0017860700000000, -0.0008324400000000, 0.0008555300000000 ] - [ -0.0020650100000000, -0.0006445500000000, 0.0011467600000000 ] - [ -0.0022925100000000, 0.0011823200000000, -0.0004951300000000 ] - [ -0.0022874500000000, 0.0011923900000000, -0.0004959300000000 ] - [ -0.0020088800000000, 0.0007450500000000, 0.0011039100000000 ] - [ -0.0019781900000000, 0.0007813600000000, 0.0010867600000000 ] - [ -0.0005104400000000, 0.0009132600000000, 0.0002904100000000 ] - [ -0.0004503300000000, 0.0010616400000000, 0.0002155200000000 ] - [ -0.0004931400000000, -0.0010021000000000, 0.0002961700000000 ] - [ -0.0005048800000000, -0.0009913800000000, 0.0001609600000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007211300000000, -0.0007607400000000, 0.0007788600000000 ] - [ 0.0006613100000000, -0.0001257100000000, 0.0010256000000000 ] - [ 0.0004444300000000, 0.0002658600000000, -0.0002424900000000 ] - [ 0.0039419400000000, -0.0026944700000000, -0.0032486500000000 ] - [ 0.0006563300000000, 0.0005376700000000, 0.0008882000000000 ] - [ 0.0006564700000000, 0.0004406900000000, 0.0009606800000000 ] - [ 0.0003419800000000, 0.0004708100000000, 0.0000315700000000 ] - [ 0.0003480500000000, 0.0005048000000000, 0.0000357500000000 ] - [ -0.0006560200000000, -0.0010931000000000, 0.0001515700000000 ] - [ -0.0006227400000000, -0.0007195800000000, -0.0003539700000000 ] - [ -0.0036497800000000, -0.0024808800000000, 0.0027638300000000 ] - [ -0.0002494700000000, 0.0002784400000000, 0.0009906700000000 ] - [ -0.0006570100000000, 0.0009612400000000, -0.0001232000000000 ] - [ -0.0006380300000000, 0.0008514900000000, -0.0001775600000000 ] - [ -0.0002364400000000, 0.0007763100000000, 0.0010544400000000 ] - [ -0.0002329300000000, 0.0007582000000000, 0.0010655700000000 ] - [ 0.0061659800000000, -0.0017996200000000, 0.0014273500000000 ] - [ 0.0035960700000000, 0.0030569000000000, -0.0006772500000000 ] - [ 0.0022720600000000, -0.0001940600000000, 0.0010310300000000 ] - [ 0.0023568400000000, 0.0003370000000000, 0.0005370400000000 ] - [ 0.0035490100000000, -0.0022084000000000, -0.0006956900000000 ] - [ 0.0035471800000000, -0.0021951300000000, -0.0007148200000000 ] - [ 0.0023445000000000, -0.0001676400000000, 0.0007262300000000 ] - [ 0.0023416400000000, -0.0000615800000000, 0.0007878400000000 ] - [ -0.0041783700000000, -0.0073389900000000, -0.0033802100000000 ] - [ -0.0013280700000000, 0.0010064300000000, -0.0000100300000000 ] - [ 0.0003963700000000, -0.0029525900000000, -0.0014445500000000 ] - [ 0.0004404600000000, -0.0019155400000000, -0.0012774700000000 ] - [ -0.0013211800000000, 0.0001638500000000, 0.0004481200000000 ] - [ -0.0013165100000000, 0.0001889200000000, 0.0004584800000000 ] - [ 0.0004247900000000, 0.0023295100000000, -0.0012648000000000 ] - [ 0.0004234100000000, 0.0024512100000000, -0.0013954100000000 ] - [ -0.0053077400000000, 0.0026870900000000, -0.0042528500000000 ] - [ -0.0053226500000000, 0.0011814400000000, -0.0037663100000000 ] - [ 0.0024036400000000, 0.0301007700000000, 0.0021560400000000 ] - [ -0.0009349700000000, 0.0002212800000000, -0.0004885900000000 ] - [ 0.0010291600000000, 0.0018609800000000, 0.0021167000000000 ] - [ 0.0010351600000000, 0.0011242300000000, 0.0024478100000000 ] - [ -0.0052681300000000, -0.0014138000000000, -0.0038672000000000 ] - [ -0.0052714600000000, -0.0014172600000000, -0.0038858300000000 ] - [ -0.0009207900000000, -0.0006215900000000, -0.0004791700000000 ] - [ -0.0009201700000000, -0.0006212700000000, -0.0004809200000000 ] - [ -0.0006687700000000, 0.0015529400000000, -0.0021277900000000 ] - [ -0.0006180500000000, 0.0014467800000000, -0.0021248400000000 ] - [ 0.0010089100000000, -0.0013284900000000, 0.0023238200000000 ] - [ 0.0010073700000000, -0.0013180400000000, 0.0023597000000000 ] - [ 0.0040083700000000, 0.0000048400000000, 0.0023255600000000 ] - [ 0.0036771600000000, 0.0003048700000000, 0.0032450400000000 ] - [ -0.0006510400000000, -0.0014735100000000, -0.0020705300000000 ] - [ -0.0006703400000000, -0.0015142300000000, -0.0022086600000000 ] - [ -0.0020905000000000, -0.0088976700000000, 0.0052467000000000 ] - [ 0.0011687800000000, -0.0009016600000000, 0.0016840800000000 ] - [ 0.0037124400000000, -0.0002815000000000, 0.0030458400000000 ] - [ 0.0037273900000000, -0.0003119600000000, 0.0030486200000000 ] - [ 0.0012624200000000, 0.0004800100000000, 0.0015567900000000 ] - [ 0.0012671000000000, 0.0004707400000000, 0.0015589700000000 ] - [ -0.0011084600000000, -0.0006958500000000, -0.0019156900000000 ] - [ 0.0002971000000000, -0.0014926900000000, -0.0016598200000000 ] - [ -0.0026432400000000, -0.0005966200000000, -0.0006190500000000 ] - [ -0.0027335800000000, -0.0011083800000000, -0.0012209900000000 ] - [ -0.0007619000000000, -0.0000897300000000, -0.0024224000000000 ] - [ -0.0007532000000000, -0.0001042000000000, -0.0024251900000000 ] - [ -0.0026175300000000, 0.0007671100000000, -0.0008504100000000 ] - [ -0.0025871600000000, 0.0007162000000000, -0.0008271500000000 ] - [ 0.0016306900000000, 0.0007900800000000, 0.0008660700000000 ] - [ 0.0017130400000000, 0.0006772800000000, 0.0008273200000000 ] - [ 0.0009472300000000, 0.0004980300000000, -0.0002460100000000 ] - [ 0.0014920800000000, -0.0002222900000000, 0.0000347300000000 ] - [ 0.0002314300000000, 0.0001237000000000, 0.0002129000000000 ] - [ 0.0014209200000000, -0.0009117500000000, -0.0000991400000000 ] - [ 0.0033264300000000, -0.0008581000000000, 0.0029717200000000 ] - [ 0.0031038400000000, -0.0014558700000000, 0.0030968700000000 ] - [ 0.0016707600000000, -0.0007311200000000, 0.0007873700000000 ] - [ 0.0016595800000000, -0.0007374500000000, 0.0008714800000000 ] - [ 0.0013981200000000, -0.0000144400000000, -0.0000458800000000 ] - [ 0.0013890300000000, -0.0000176000000000, -0.0000642300000000 ] - [ 0.0013543200000000, 0.0004637900000000, -0.0001098800000000 ] - [ 0.0013532700000000, 0.0004667700000000, -0.0001104700000000 ] - [ 0.0031306400000000, 0.0012285300000000, 0.0029398400000000 ] - [ 0.0031428600000000, 0.0012346500000000, 0.0029718500000000 ] - [ -0.0013395000000000, -0.0012085900000000, -0.0012228900000000 ] - [ -0.0014083800000000, -0.0013793200000000, -0.0011865000000000 ] - [ -0.0013718600000000, 0.0013026300000000, -0.0011291000000000 ] - [ -0.0013670000000000, 0.0012778000000000, -0.0012624200000000 ] - [ -0.0008352100000000, 0.0003913200000000, -0.0012214200000000 ] - [ -0.0009777600000000, 0.0004548200000000, -0.0006639500000000 ] - [ -0.0014589600000000, -0.0006537900000000, -0.0001823500000000 ] - [ -0.0035164900000000, -0.0020645400000000, -0.0018525800000000 ] - [ -0.0009254200000000, -0.0004897200000000, -0.0010489900000000 ] - [ -0.0009421200000000, -0.0005271800000000, -0.0010427000000000 ] - [ -0.0013910900000000, 0.0003032700000000, -0.0003078700000000 ] - [ -0.0013931100000000, 0.0002857900000000, -0.0003072800000000 ] - [ 0.0003719800000000, -0.0064162700000000, -0.0025855000000000 ] - [ -0.0020919400000000, -0.0015593600000000, -0.0004353200000000 ] - [ -0.0021865400000000, -0.0006917100000000, 0.0012976400000000 ] - [ -0.0019085700000000, -0.0008775500000000, 0.0010031500000000 ] - [ -0.0022922200000000, 0.0011945800000000, -0.0005318900000000 ] - [ -0.0022972400000000, 0.0011845300000000, -0.0005311900000000 ] - [ -0.0019648700000000, 0.0007777200000000, 0.0010464400000000 ] - [ -0.0019956200000000, 0.0007415300000000, 0.0010637700000000 ] - [ -0.0004715800000000, 0.0010843100000000, 0.0001063600000000 ] - [ -0.0005324400000000, 0.0009365100000000, 0.0001786700000000 ] - [ -0.0004893000000000, -0.0009964300000000, 0.0000985000000000 ] - [ -0.0004777400000000, -0.0010066900000000, 0.0002338500000000 ]- atom: 35 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0001951500000000, -0.0000113700000000, 0.0005847300000000 ] - [ 0.0006542500000000, -0.0007386000000000, 0.0008106700000000 ] - [ 0.0003923800000000, -0.0003890900000000, 0.0005891400000000 ] - [ -0.0055822800000000, 0.0031142700000000, 0.0055761600000000 ] - [ 0.0006718200000000, 0.0005424600000000, 0.0006043800000000 ] - [ 0.0006508500000000, 0.0004577600000000, 0.0005478300000000 ] - [ 0.0003624900000000, 0.0004958900000000, -0.0003108200000000 ] - [ 0.0003500300000000, 0.0004549100000000, -0.0002845400000000 ] - [ -0.0008437100000000, -0.0011319900000000, -0.0005390500000000 ] - [ -0.0006587400000000, -0.0008063100000000, -0.0002015700000000 ] - [ -0.0067911300000000, -0.0031351600000000, 0.0068107700000000 ] - [ -0.0002636000000000, -0.0012984900000000, 0.0015275300000000 ] - [ -0.0006308100000000, 0.0008416300000000, -0.0004109500000000 ] - [ -0.0006652400000000, 0.0009991400000000, -0.0004689400000000 ] - [ -0.0002343100000000, 0.0007659600000000, 0.0007629800000000 ] - [ -0.0002283700000000, 0.0007548500000000, 0.0007378700000000 ] - [ 0.0055214100000000, 0.0003069400000000, 0.0026571700000000 ] - [ 0.0036244100000000, 0.0017977700000000, -0.0002409300000000 ] - [ 0.0027956200000000, -0.0005154700000000, 0.0003860800000000 ] - [ 0.0022825100000000, 0.0002732200000000, 0.0007390000000000 ] - [ 0.0035382600000000, -0.0022089400000000, -0.0010634300000000 ] - [ 0.0035334700000000, -0.0021957400000000, -0.0010206200000000 ] - [ 0.0023081100000000, -0.0000457600000000, 0.0003547600000000 ] - [ 0.0023454400000000, -0.0001695000000000, 0.0004284900000000 ] - [ -0.0000742800000000, 0.0026166200000000, 0.0065934000000000 ] - [ -0.0012581200000000, -0.0000386900000000, 0.0012261300000000 ] - [ 0.0007718200000000, -0.0016742000000000, -0.0019177000000000 ] - [ 0.0003417100000000, -0.0027637200000000, -0.0015446900000000 ] - [ -0.0013129600000000, 0.0001869800000000, -0.0000118400000000 ] - [ -0.0013177900000000, 0.0001658300000000, 0.0000233200000000 ] - [ 0.0003805500000000, 0.0021955600000000, -0.0019313500000000 ] - [ 0.0004382000000000, 0.0024734000000000, -0.0017054200000000 ] - [ -0.0058467800000000, 0.0024044400000000, 0.0082046400000000 ] - [ -0.0052465200000000, 0.0014714200000000, -0.0039969100000000 ] - [ 0.0097432400000000, -0.0019436000000000, -0.0368283300000000 ] - [ -0.0008759600000000, 0.0006530700000000, -0.0008208800000000 ] - [ 0.0007909200000000, 0.0008436100000000, 0.0054234300000000 ] - [ 0.0010108600000000, 0.0013526500000000, 0.0022884300000000 ] - [ -0.0052676100000000, -0.0014078900000000, -0.0037111200000000 ] - [ -0.0052595700000000, -0.0013908900000000, -0.0037145400000000 ] - [ -0.0009290900000000, -0.0006442800000000, -0.0003361000000000 ] - [ -0.0009346900000000, -0.0006461700000000, -0.0003401500000000 ] - [ -0.0005889500000000, 0.0018040400000000, -0.0016030700000000 ] - [ -0.0006391300000000, 0.0015336800000000, -0.0020323500000000 ] - [ 0.0009850500000000, -0.0012632400000000, 0.0025246500000000 ] - [ 0.0010137500000000, -0.0013068100000000, 0.0024868700000000 ] - [ 0.0036222700000000, 0.0004728100000000, 0.0032512300000000 ] - [ 0.0037129800000000, 0.0001277800000000, 0.0028315700000000 ] - [ -0.0006375700000000, -0.0016466500000000, -0.0018805800000000 ] - [ -0.0006019300000000, -0.0015151500000000, -0.0019536300000000 ] - [ -0.0004749100000000, -0.0049961000000000, 0.0020386800000000 ] - [ 0.0012921300000000, -0.0000930500000000, 0.0011385100000000 ] - [ 0.0036902400000000, -0.0003774100000000, 0.0032633900000000 ] - [ 0.0036923900000000, -0.0003550500000000, 0.0032239600000000 ] - [ 0.0012828800000000, 0.0005138000000000, 0.0017276200000000 ] - [ 0.0012805500000000, 0.0005122000000000, 0.0017100300000000 ] - [ -0.0002244000000000, 0.0011065500000000, -0.0030143600000000 ] - [ -0.0006094400000000, -0.0008201500000000, -0.0026123100000000 ] - [ -0.0026599100000000, -0.0008866700000000, -0.0009176300000000 ] - [ -0.0024373900000000, -0.0003432700000000, -0.0004474600000000 ] - [ -0.0007565800000000, -0.0000699500000000, -0.0023113400000000 ] - [ -0.0007575800000000, -0.0000696300000000, -0.0023215200000000 ] - [ -0.0025676700000000, 0.0006461800000000, -0.0006468200000000 ] - [ -0.0026051400000000, 0.0006967200000000, -0.0007277100000000 ] - [ 0.0016133900000000, 0.0007945000000000, 0.0010217000000000 ] - [ 0.0016395500000000, 0.0007843300000000, 0.0009293300000000 ] - [ 0.0014750900000000, -0.0000204900000000, -0.0000319900000000 ] - [ 0.0013403800000000, 0.0000630300000000, -0.0001815300000000 ] - [ 0.0014327500000000, -0.0007110400000000, -0.0011298000000000 ] - [ 0.0014362200000000, -0.0004013100000000, -0.0004047500000000 ] - [ 0.0031504000000000, -0.0013044100000000, 0.0031088300000000 ] - [ 0.0030990600000000, -0.0012066700000000, 0.0029156400000000 ] - [ 0.0016831800000000, -0.0007172000000000, 0.0009486400000000 ] - [ 0.0016234200000000, -0.0008492300000000, 0.0010166200000000 ] - [ 0.0014419100000000, -0.0000033800000000, 0.0001057500000000 ] - [ 0.0014375300000000, 0.0000140800000000, 0.0001087000000000 ] - [ 0.0013075100000000, 0.0004539600000000, 0.0000324500000000 ] - [ 0.0013136600000000, 0.0004508600000000, 0.0000297900000000 ] - [ 0.0032057900000000, 0.0012594200000000, 0.0031211300000000 ] - [ 0.0031786000000000, 0.0012305600000000, 0.0031088000000000 ] - [ -0.0013794100000000, -0.0013774900000000, -0.0009824000000000 ] - [ -0.0013548700000000, -0.0012854900000000, -0.0011155900000000 ] - [ -0.0013470100000000, 0.0012903300000000, -0.0010669700000000 ] - [ -0.0013685000000000, 0.0013852100000000, -0.0009808600000000 ] - [ -0.0010213000000000, 0.0007217300000000, -0.0010823500000000 ] - [ -0.0008593500000000, 0.0003020500000000, -0.0008852000000000 ] - [ -0.0013616300000000, -0.0007070000000000, -0.0006960300000000 ] - [ 0.0001074800000000, 0.0014460100000000, 0.0004321800000000 ] - [ -0.0009488500000000, -0.0004487700000000, -0.0008582000000000 ] - [ -0.0009593800000000, -0.0004691200000000, -0.0008984500000000 ] - [ -0.0013870400000000, 0.0002801600000000, -0.0001305800000000 ] - [ -0.0013891800000000, 0.0002988300000000, -0.0001475400000000 ] - [ -0.0038966000000000, 0.0021035200000000, -0.0000650100000000 ] - [ -0.0021915600000000, -0.0013232100000000, -0.0007861600000000 ] - [ -0.0020105200000000, -0.0009233000000000, 0.0011454300000000 ] - [ -0.0020274200000000, -0.0006373000000000, 0.0010326400000000 ] - [ -0.0022775700000000, 0.0011776500000000, -0.0003979800000000 ] - [ -0.0022776900000000, 0.0011827500000000, -0.0004101200000000 ] - [ -0.0020567500000000, 0.0007772300000000, 0.0012318600000000 ] - [ -0.0020278900000000, 0.0007647300000000, 0.0011746000000000 ] - [ -0.0004192700000000, 0.0008680300000000, 0.0006310500000000 ] - [ -0.0004634900000000, 0.0010151400000000, 0.0002764600000000 ] - [ -0.0004937300000000, -0.0009145300000000, 0.0003728700000000 ] - [ -0.0004605000000000, -0.0010473300000000, 0.0003023200000000 ]- atom: 35 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0011185100000000, -0.0009680000000000, 0.0011728700000000 ] - [ 0.0006640500000000, -0.0002420900000000, 0.0009437900000000 ] - [ 0.0003015800000000, -0.0005791100000000, -0.0006155500000000 ] - [ 0.0064169200000000, -0.0041766700000000, -0.0056843300000000 ] - [ 0.0006457100000000, 0.0004390600000000, 0.0011487800000000 ] - [ 0.0006667300000000, 0.0005242800000000, 0.0012058300000000 ] - [ 0.0003302300000000, 0.0004751600000000, 0.0002863500000000 ] - [ 0.0003425800000000, 0.0005155900000000, 0.0002602800000000 ] - [ -0.0004489900000000, -0.0006779700000000, 0.0001521200000000 ] - [ -0.0006364600000000, -0.0010045700000000, -0.0001866900000000 ] - [ 0.0061857300000000, 0.0015407800000000, -0.0047216300000000 ] - [ -0.0002054500000000, -0.0002314500000000, 0.0005038900000000 ] - [ -0.0006642000000000, 0.0009692200000000, 0.0000243300000000 ] - [ -0.0006299100000000, 0.0008125400000000, 0.0000822900000000 ] - [ -0.0002336900000000, 0.0007662900000000, 0.0012705700000000 ] - [ -0.0002397300000000, 0.0007776800000000, 0.0012958100000000 ] - [ 0.0015128600000000, 0.0041631400000000, -0.0042160600000000 ] - [ 0.0034675000000000, 0.0026077700000000, -0.0012673000000000 ] - [ 0.0018856700000000, 0.0007372300000000, 0.0010288700000000 ] - [ 0.0023955400000000, -0.0000486100000000, 0.0006724000000000 ] - [ 0.0035548400000000, -0.0021945100000000, -0.0004411100000000 ] - [ 0.0035596200000000, -0.0022076000000000, -0.0004836400000000 ] - [ 0.0023700000000000, -0.0001804900000000, 0.0010564400000000 ] - [ 0.0023324800000000, -0.0000555500000000, 0.0009821800000000 ] - [ -0.0024857600000000, -0.0028313900000000, -0.0057227700000000 ] - [ -0.0013773400000000, -0.0003167500000000, -0.0004480500000000 ] - [ 0.0000719100000000, -0.0031247500000000, -0.0008750800000000 ] - [ 0.0005063200000000, -0.0020260300000000, -0.0012482500000000 ] - [ -0.0013236200000000, 0.0001654400000000, 0.0007937800000000 ] - [ -0.0013187800000000, 0.0001867700000000, 0.0007585400000000 ] - [ 0.0004670700000000, 0.0025945200000000, -0.0008611700000000 ] - [ 0.0004095600000000, 0.0023184800000000, -0.0010857200000000 ] - [ -0.0046995600000000, 0.0004495700000000, -0.0156135400000000 ] - [ -0.0052914300000000, 0.0013559400000000, -0.0037106100000000 ] - [ -0.0115691500000000, 0.0030836600000000, 0.0356870300000000 ] - [ -0.0009677700000000, 0.0005978700000000, -0.0000970000000000 ] - [ 0.0012315500000000, 0.0018009900000000, -0.0007776900000000 ] - [ 0.0010071900000000, 0.0012847900000000, 0.0024409900000000 ] - [ -0.0052702100000000, -0.0014191600000000, -0.0039970700000000 ] - [ -0.0052783400000000, -0.0014363800000000, -0.0039936600000000 ] - [ -0.0009145300000000, -0.0006060800000000, -0.0005832000000000 ] - [ -0.0009089000000000, -0.0006043200000000, -0.0005791000000000 ] - [ -0.0006967800000000, 0.0012114900000000, -0.0026035200000000 ] - [ -0.0006469400000000, 0.0014793100000000, -0.0021772400000000 ] - [ 0.0010329600000000, -0.0013742700000000, 0.0022040400000000 ] - [ 0.0010045700000000, -0.0013310800000000, 0.0022414600000000 ] - [ 0.0038100200000000, 0.0001334800000000, 0.0028898900000000 ] - [ 0.0037180500000000, 0.0004844400000000, 0.0033152100000000 ] - [ -0.0006483000000000, -0.0013658200000000, -0.0023285200000000 ] - [ -0.0006840400000000, -0.0014982500000000, -0.0022551500000000 ] - [ 0.0030125200000000, 0.0040597700000000, 0.0011292400000000 ] - [ 0.0012428400000000, -0.0008702400000000, 0.0020251800000000 ] - [ 0.0037413800000000, -0.0002336100000000, 0.0028832800000000 ] - [ 0.0037391400000000, -0.0002561300000000, 0.0029230700000000 ] - [ 0.0012519100000000, 0.0004479400000000, 0.0014345500000000 ] - [ 0.0012542300000000, 0.0004495500000000, 0.0014521100000000 ] - [ -0.0012904400000000, -0.0009200700000000, -0.0018047700000000 ] - [ -0.0009053300000000, 0.0010027500000000, -0.0022057200000000 ] - [ -0.0025461900000000, -0.0005812700000000, -0.0007211100000000 ] - [ -0.0027701700000000, -0.0011260700000000, -0.0011930700000000 ] - [ -0.0007594800000000, -0.0001147800000000, -0.0025060400000000 ] - [ -0.0007585200000000, -0.0001150400000000, -0.0024958700000000 ] - [ -0.0026383900000000, 0.0008229800000000, -0.0009937100000000 ] - [ -0.0026013200000000, 0.0007729300000000, -0.0009133500000000 ] - [ 0.0017142900000000, 0.0006897100000000, 0.0006949900000000 ] - [ 0.0016878400000000, 0.0006998100000000, 0.0007876000000000 ] - [ 0.0013219600000000, 0.0000463800000000, -0.0000370600000000 ] - [ 0.0014592000000000, -0.0000351500000000, 0.0001157100000000 ] - [ 0.0012500300000000, -0.0002186900000000, 0.0009547700000000 ] - [ 0.0012579300000000, -0.0005246200000000, 0.0002257000000000 ] - [ 0.0031355800000000, -0.0011603400000000, 0.0028510600000000 ] - [ 0.0031872100000000, -0.0012586500000000, 0.0030436800000000 ] - [ 0.0016446100000000, -0.0007663300000000, 0.0007673100000000 ] - [ 0.0017041200000000, -0.0006347700000000, 0.0006996000000000 ] - [ 0.0013573300000000, -0.0000239500000000, -0.0001723100000000 ] - [ 0.0013618500000000, -0.0000414000000000, -0.0001753500000000 ] - [ 0.0013871300000000, 0.0004724700000000, -0.0002123200000000 ] - [ 0.0013809300000000, 0.0004754600000000, -0.0002096400000000 ] - [ 0.0030803700000000, 0.0012060200000000, 0.0028372900000000 ] - [ 0.0031074100000000, 0.0012346800000000, 0.0028494800000000 ] - [ -0.0013573300000000, -0.0012197300000000, -0.0013652100000000 ] - [ -0.0013817600000000, -0.0013114700000000, -0.0012321100000000 ] - [ -0.0013895800000000, 0.0013073000000000, -0.0012797200000000 ] - [ -0.0013680000000000, 0.0012118700000000, -0.0013663800000000 ] - [ -0.0008505000000000, 0.0002798800000000, -0.0009636300000000 ] - [ -0.0010103000000000, 0.0007024700000000, -0.0011653900000000 ] - [ -0.0014211300000000, 0.0001200600000000, 0.0001303900000000 ] - [ -0.0029142100000000, -0.0020552000000000, -0.0010061400000000 ] - [ -0.0009228100000000, -0.0005525300000000, -0.0011872600000000 ] - [ -0.0009121300000000, -0.0005319700000000, -0.0011466300000000 ] - [ -0.0013964500000000, 0.0003081700000000, -0.0004374500000000 ] - [ -0.0013941000000000, 0.0002896700000000, -0.0004206800000000 ] - [ -0.0006925600000000, -0.0044657500000000, -0.0009636600000000 ] - [ -0.0023931600000000, -0.0010498400000000, -0.0002396300000000 ] - [ -0.0019640900000000, -0.0006001800000000, 0.0010066800000000 ] - [ -0.0019454200000000, -0.0008862700000000, 0.0011183500000000 ] - [ -0.0023062900000000, 0.0011996300000000, -0.0006294400000000 ] - [ -0.0023060900000000, 0.0011945300000000, -0.0006172900000000 ] - [ -0.0019163700000000, 0.0007461000000000, 0.0009181900000000 ] - [ -0.0019449100000000, 0.0007586400000000, 0.0009751100000000 ] - [ -0.0005637700000000, 0.0011328100000000, -0.0002397500000000 ] - [ -0.0005186900000000, 0.0009838900000000, 0.0001190800000000 ] - [ -0.0004884900000000, -0.0010841600000000, 0.0000217700000000 ] - [ -0.0005217100000000, -0.0009518500000000, 0.0000923900000000 ]- atom: 37 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0006720300000000, -0.0005067000000000, 0.0008736000000000 ] - [ 0.0006614400000000, -0.0004789500000000, 0.0008803100000000 ] - [ 0.0003047200000000, -0.0006326700000000, -0.0000492400000000 ] - [ 0.0052911800000000, -0.0030820900000000, 0.0040321800000000 ] - [ 0.0005129700000000, 0.0003007400000000, 0.0009814600000000 ] - [ 0.0006246800000000, 0.0006772500000000, 0.0008648900000000 ] - [ 0.0003453900000000, 0.0004936900000000, -0.0000086300000000 ] - [ 0.0003428100000000, 0.0004769000000000, -0.0000036300000000 ] - [ 0.0047841900000000, 0.0016217400000000, 0.0033379300000000 ] - [ -0.0009345400000000, -0.0009565700000000, -0.0002600300000000 ] - [ -0.0003078900000000, -0.0007605100000000, 0.0011479000000000 ] - [ -0.0002566600000000, -0.0007387000000000, 0.0010554400000000 ] - [ -0.0006475300000000, 0.0009058200000000, -0.0001865300000000 ] - [ -0.0006468100000000, 0.0009045500000000, -0.0001893600000000 ] - [ -0.0002150400000000, 0.0007393600000000, 0.0010363300000000 ] - [ -0.0002305000000000, 0.0007901200000000, 0.0010087300000000 ] - [ 0.0052594100000000, 0.0008810400000000, -0.0022225500000000 ] - [ 0.0036254000000000, 0.0020711500000000, -0.0006265500000000 ] - [ 0.0023227300000000, 0.0001134300000000, 0.0007336100000000 ] - [ 0.0023419400000000, 0.0001193300000000, 0.0007096800000000 ] - [ 0.0035485100000000, -0.0021970800000000, -0.0007379100000000 ] - [ 0.0035479300000000, -0.0022050600000000, -0.0007532800000000 ] - [ 0.0023800000000000, 0.0000935900000000, 0.0007989000000000 ] - [ 0.0024415500000000, -0.0002192400000000, 0.0005912500000000 ] - [ -0.0011982700000000, -0.0000009100000000, 0.0002552700000000 ] - [ -0.0012600900000000, -0.0000793600000000, 0.0003728600000000 ] - [ 0.0054540200000000, 0.0007869100000000, -0.0038303600000000 ] - [ 0.0008692100000000, -0.0023425300000000, -0.0014837000000000 ] - [ -0.0013361400000000, 0.0002198500000000, 0.0004241600000000 ] - [ -0.0013368900000000, 0.0001515400000000, 0.0003692000000000 ] - [ 0.0004233900000000, 0.0023997200000000, -0.0013804800000000 ] - [ 0.0004227900000000, 0.0023952700000000, -0.0013924500000000 ] - [ -0.0052693400000000, 0.0014136100000000, -0.0039182500000000 ] - [ -0.0052749800000000, 0.0014115800000000, -0.0038584100000000 ] - [ -0.0013222400000000, 0.0006035900000000, -0.0007027800000000 ] - [ -0.0009619000000000, 0.0005984300000000, -0.0004588800000000 ] - [ -0.0263291100000000, -0.0000118300000000, -0.0027639300000000 ] - [ 0.0008671700000000, 0.0013297900000000, 0.0023048900000000 ] - [ -0.0052723200000000, -0.0014255000000000, -0.0039320600000000 ] - [ -0.0052743500000000, -0.0014165900000000, -0.0038409600000000 ] - [ -0.0009207600000000, -0.0006252600000000, -0.0004832600000000 ] - [ -0.0009205700000000, -0.0006267400000000, -0.0004546900000000 ] - [ -0.0006446700000000, 0.0015023900000000, -0.0021146900000000 ] - [ -0.0006425000000000, 0.0015041500000000, -0.0021065400000000 ] - [ 0.0010103800000000, -0.0013203700000000, 0.0023578200000000 ] - [ 0.0010088400000000, -0.0013193500000000, 0.0023637000000000 ] - [ 0.0036956200000000, 0.0002965500000000, 0.0030506500000000 ] - [ 0.0036871100000000, 0.0002957200000000, 0.0030908600000000 ] - [ -0.0010103000000000, -0.0008320400000000, -0.0032083000000000 ] - [ -0.0006605900000000, -0.0015118800000000, -0.0020882500000000 ] - [ 0.0012075700000000, 0.0000603500000000, 0.0022367500000000 ] - [ 0.0011257100000000, -0.0006888300000000, 0.0015766500000000 ] - [ 0.0037262900000000, -0.0003549100000000, 0.0030878200000000 ] - [ 0.0036851900000000, -0.0002689300000000, 0.0030741200000000 ] - [ 0.0012682500000000, 0.0004758100000000, 0.0015749600000000 ] - [ 0.0012658000000000, 0.0004844700000000, 0.0015825200000000 ] - [ -0.0006961000000000, 0.0001223700000000, -0.0023616000000000 ] - [ -0.0007195000000000, -0.0000462500000000, -0.0021507200000000 ] - [ -0.0023229900000000, -0.0002765500000000, -0.0005664700000000 ] - [ -0.0015285000000000, -0.0016576500000000, -0.0014380600000000 ] - [ -0.0007495000000000, -0.0001069600000000, -0.0024123900000000 ] - [ -0.0007676000000000, -0.0000763200000000, -0.0024051600000000 ] - [ -0.0026043200000000, 0.0007356000000000, -0.0008237800000000 ] - [ -0.0026033200000000, 0.0007364400000000, -0.0008228400000000 ] - [ 0.0022358400000000, 0.0001844500000000, 0.0007280300000000 ] - [ 0.0016690300000000, 0.0007909200000000, 0.0009018500000000 ] - [ 0.0013970900000000, 0.0000115600000000, -0.0000169800000000 ] - [ 0.0014025000000000, 0.0000052800000000, -0.0000321700000000 ] - [ 0.0015697700000000, -0.0002776400000000, -0.0000986900000000 ] - [ 0.0013870700000000, -0.0004641200000000, -0.0001113500000000 ] - [ 0.0114516800000000, -0.0000269400000000, 0.0036939700000000 ] - [ 0.0032225800000000, -0.0012807100000000, 0.0030079300000000 ] - [ 0.0016637400000000, -0.0007416600000000, 0.0008531800000000 ] - [ 0.0016639000000000, -0.0007408700000000, 0.0008564000000000 ] - [ 0.0013996300000000, -0.0000170200000000, -0.0000499700000000 ] - [ 0.0014282600000000, -0.0000161000000000, 0.0000102700000000 ] - [ 0.0013491800000000, 0.0004644800000000, -0.0000990200000000 ] - [ 0.0013437900000000, 0.0004605000000000, -0.0000778700000000 ] - [ 0.0031410600000000, 0.0012323100000000, 0.0029740500000000 ] - [ 0.0031431200000000, 0.0012322900000000, 0.0029795000000000 ] - [ -0.0013667900000000, -0.0012950400000000, -0.0011765700000000 ] - [ -0.0013706700000000, -0.0013004400000000, -0.0011752300000000 ] - [ -0.0013673700000000, 0.0013422100000000, -0.0011587600000000 ] - [ -0.0013885600000000, 0.0016757300000000, -0.0005695900000000 ] - [ -0.0009261600000000, 0.0004931100000000, -0.0010263500000000 ] - [ -0.0009243800000000, 0.0005073900000000, -0.0010211500000000 ] - [ -0.0013059600000000, -0.0006109200000000, -0.0001748100000000 ] - [ 0.0001710300000000, 0.0008383000000000, -0.0014955800000000 ] - [ -0.0009396500000000, -0.0005653800000000, -0.0010486100000000 ] - [ -0.0008991000000000, -0.0004459100000000, -0.0010210900000000 ] - [ -0.0013929700000000, 0.0002895800000000, -0.0002867600000000 ] - [ -0.0013912300000000, 0.0002986000000000, -0.0002876100000000 ] - [ -0.0023956300000000, -0.0012072000000000, -0.0006647300000000 ] - [ -0.0023361600000000, -0.0011697200000000, -0.0005416900000000 ] - [ -0.0019731300000000, -0.0038685500000000, 0.0021035400000000 ] - [ -0.0020760600000000, -0.0001983200000000, 0.0011617900000000 ] - [ -0.0022979300000000, 0.0011777300000000, -0.0005223800000000 ] - [ -0.0022868200000000, 0.0011981600000000, -0.0005115000000000 ] - [ -0.0019846100000000, 0.0007604800000000, 0.0010705200000000 ] - [ -0.0019861200000000, 0.0007621500000000, 0.0010735800000000 ] - [ -0.0013931000000000, 0.0004922500000000, 0.0013861800000000 ] - [ -0.0005126000000000, 0.0010635200000000, 0.0002397800000000 ] - [ -0.0004913800000000, -0.0010013600000000, 0.0001918500000000 ] - [ -0.0004913000000000, -0.0009996000000000, 0.0001983500000000 ]- atom: 37 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0006450000000000, -0.0004757900000000, 0.0008791400000000 ] - [ 0.0006553800000000, -0.0005022900000000, 0.0008723700000000 ] - [ 0.0003885800000000, -0.0003359400000000, 0.0000245100000000 ] - [ -0.0044708800000000, 0.0020148100000000, -0.0039249700000000 ] - [ 0.0008035500000000, 0.0006816300000000, 0.0007710100000000 ] - [ 0.0006935900000000, 0.0003025500000000, 0.0008892600000000 ] - [ 0.0003467700000000, 0.0004768800000000, -0.0000164000000000 ] - [ 0.0003493400000000, 0.0004938000000000, -0.0000213000000000 ] - [ -0.0062857000000000, -0.0035351800000000, -0.0038670700000000 ] - [ -0.0003614300000000, -0.0008512200000000, -0.0001272000000000 ] - [ -0.0001634900000000, -0.0007737300000000, 0.0008840700000000 ] - [ -0.0002112700000000, -0.0007927300000000, 0.0009772400000000 ] - [ -0.0006479400000000, 0.0009051500000000, -0.0002010800000000 ] - [ -0.0006486600000000, 0.0009062300000000, -0.0001982000000000 ] - [ -0.0002532500000000, 0.0007929300000000, 0.0009966300000000 ] - [ -0.0002377000000000, 0.0007414700000000, 0.0010241100000000 ] - [ 0.0017759600000000, 0.0035809100000000, 0.0007734700000000 ] - [ 0.0034657900000000, 0.0023339100000000, -0.0008780700000000 ] - [ 0.0023548400000000, 0.0001125500000000, 0.0006763400000000 ] - [ 0.0023359900000000, 0.0001062000000000, 0.0006998100000000 ] - [ 0.0035441400000000, -0.0022064500000000, -0.0007672900000000 ] - [ 0.0035447500000000, -0.0021984700000000, -0.0007517200000000 ] - [ 0.0022977100000000, -0.0003170600000000, 0.0006090000000000 ] - [ 0.0022346300000000, -0.0000050300000000, 0.0008199200000000 ] - [ -0.0014374100000000, -0.0003494900000000, 0.0005278900000000 ] - [ -0.0013763700000000, -0.0002713000000000, 0.0004082600000000 ] - [ -0.0045678600000000, -0.0054755300000000, 0.0009427900000000 ] - [ -0.0000215600000000, -0.0024491700000000, -0.0013080900000000 ] - [ -0.0013010400000000, 0.0001326400000000, 0.0003564500000000 ] - [ -0.0013000200000000, 0.0002010300000000, 0.0004122200000000 ] - [ 0.0004240000000000, 0.0023925100000000, -0.0014122100000000 ] - [ 0.0004245800000000, 0.0023967400000000, -0.0014004700000000 ] - [ -0.0052689200000000, 0.0014128600000000, -0.0037912800000000 ] - [ -0.0052634900000000, 0.0014149300000000, -0.0038487000000000 ] - [ -0.0005199500000000, 0.0006456700000000, -0.0002300500000000 ] - [ -0.0008820900000000, 0.0006512600000000, -0.0004606300000000 ] - [ 0.0283202200000000, 0.0026845600000000, 0.0075015300000000 ] - [ 0.0011508800000000, 0.0013073000000000, 0.0024240800000000 ] - [ -0.0052664100000000, -0.0014014300000000, -0.0037751700000000 ] - [ -0.0052641700000000, -0.0014100400000000, -0.0038666200000000 ] - [ -0.0009235000000000, -0.0006248800000000, -0.0004358200000000 ] - [ -0.0009237500000000, -0.0006233300000000, -0.0004644600000000 ] - [ -0.0006418200000000, 0.0015099800000000, -0.0020948100000000 ] - [ -0.0006441100000000, 0.0015085500000000, -0.0021027600000000 ] - [ 0.0010072500000000, -0.0013170000000000, 0.0023714400000000 ] - [ 0.0010088200000000, -0.0013179800000000, 0.0023655200000000 ] - [ 0.0037353300000000, 0.0003150500000000, 0.0030972400000000 ] - [ 0.0037433200000000, 0.0003159300000000, 0.0030576300000000 ] - [ -0.0002756600000000, -0.0021781600000000, -0.0010044200000000 ] - [ -0.0006258200000000, -0.0015007800000000, -0.0021210700000000 ] - [ 0.0013255300000000, -0.0010225300000000, 0.0009242900000000 ] - [ 0.0014086800000000, -0.0002722600000000, 0.0015851100000000 ] - [ 0.0037042200000000, -0.0002564900000000, 0.0030603500000000 ] - [ 0.0037459900000000, -0.0003429300000000, 0.0030737200000000 ] - [ 0.0012661300000000, 0.0004857100000000, 0.0015872000000000 ] - [ 0.0012686100000000, 0.0004770000000000, 0.0015795600000000 ] - [ -0.0008209900000000, 0.0000622000000000, -0.0024562700000000 ] - [ -0.0007972900000000, 0.0002303400000000, -0.0026630200000000 ] - [ -0.0028841700000000, -0.0011958000000000, -0.0010750600000000 ] - [ -0.0036712200000000, 0.0001736200000000, -0.0002037700000000 ] - [ -0.0007666300000000, -0.0000783200000000, -0.0024047100000000 ] - [ -0.0007484000000000, -0.0001092500000000, -0.0024122200000000 ] - [ -0.0026020800000000, 0.0007330700000000, -0.0008163700000000 ] - [ -0.0026030700000000, 0.0007321800000000, -0.0008172600000000 ] - [ 0.0010866100000000, 0.0013031500000000, 0.0009915400000000 ] - [ 0.0016585300000000, 0.0006923200000000, 0.0008147900000000 ] - [ 0.0014022300000000, 0.0000157300000000, -0.0000487400000000 ] - [ 0.0013970500000000, 0.0000216700000000, -0.0000333000000000 ] - [ 0.0011231000000000, -0.0006488600000000, -0.0000815100000000 ] - [ 0.0013073000000000, -0.0004630300000000, -0.0000686400000000 ] - [ -0.0050115100000000, -0.0023948700000000, 0.0022716000000000 ] - [ 0.0030634300000000, -0.0011857800000000, 0.0029507800000000 ] - [ 0.0016635400000000, -0.0007422600000000, 0.0008634700000000 ] - [ 0.0016633600000000, -0.0007429400000000, 0.0008602700000000 ] - [ 0.0013999600000000, -0.0000103100000000, -0.0000155200000000 ] - [ 0.0013706700000000, -0.0000110300000000, -0.0000766400000000 ] - [ 0.0013454100000000, 0.0004620900000000, -0.0000807600000000 ] - [ 0.0013508600000000, 0.0004661500000000, -0.0001021100000000 ] - [ 0.0031449400000000, 0.0012331900000000, 0.0029850400000000 ] - [ 0.0031429300000000, 0.0012332800000000, 0.0029795500000000 ] - [ -0.0013700000000000, -0.0013022600000000, -0.0011701900000000 ] - [ -0.0013661800000000, -0.0012970400000000, -0.0011714600000000 ] - [ -0.0013688000000000, 0.0012548700000000, -0.0011875100000000 ] - [ -0.0013473800000000, 0.0009162900000000, -0.0017857700000000 ] - [ -0.0009459300000000, 0.0005079700000000, -0.0010184700000000 ] - [ -0.0009475900000000, 0.0004939800000000, -0.0010236800000000 ] - [ -0.0014781100000000, 0.0000243800000000, -0.0003935400000000 ] - [ -0.0029813400000000, -0.0014455100000000, 0.0009484400000000 ] - [ -0.0009313400000000, -0.0004347000000000, -0.0009954400000000 ] - [ -0.0009728700000000, -0.0005557800000000, -0.0010238200000000 ] - [ -0.0013906500000000, 0.0002987500000000, -0.0002809700000000 ] - [ -0.0013923900000000, 0.0002896100000000, -0.0002801300000000 ] - [ -0.0021879100000000, -0.0011700900000000, -0.0003604200000000 ] - [ -0.0022482200000000, -0.0012072200000000, -0.0004850500000000 ] - [ -0.0019820400000000, 0.0023454400000000, 0.0000499300000000 ] - [ -0.0018963500000000, -0.0013261700000000, 0.0009881100000000 ] - [ -0.0022867800000000, 0.0011991800000000, -0.0005046800000000 ] - [ -0.0022978900000000, 0.0011786700000000, -0.0005157600000000 ] - [ -0.0019892800000000, 0.0007625800000000, 0.0010799800000000 ] - [ -0.0019878000000000, 0.0007609200000000, 0.0010769200000000 ] - [ 0.0004218800000000, 0.0014977500000000, -0.0009659400000000 ] - [ -0.0004702900000000, 0.0009345100000000, 0.0001556500000000 ] - [ -0.0004912500000000, -0.0009972800000000, 0.0002033500000000 ] - [ -0.0004914300000000, -0.0009989800000000, 0.0001970000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006694500000000, -0.0004373900000000, 0.0009901900000000 ] - [ 0.0006694800000000, -0.0005439500000000, 0.0009145200000000 ] - [ 0.0003724100000000, -0.0010475700000000, -0.0002341800000000 ] - [ -0.0020889000000000, 0.0013525600000000, -0.0024434900000000 ] - [ 0.0005378200000000, 0.0001132500000000, 0.0010985200000000 ] - [ 0.0006550100000000, 0.0008168300000000, 0.0008087900000000 ] - [ 0.0003461900000000, 0.0005091400000000, 0.0000556500000000 ] - [ 0.0003401300000000, 0.0004672100000000, 0.0000576100000000 ] - [ 0.0013218300000000, 0.0009105500000000, 0.0005230000000000 ] - [ -0.0002848200000000, -0.0020059600000000, -0.0001163000000000 ] - [ -0.0002570200000000, -0.0005875600000000, 0.0013613200000000 ] - [ -0.0002823300000000, -0.0009438200000000, 0.0009039600000000 ] - [ -0.0006448700000000, 0.0008900600000000, -0.0001346600000000 ] - [ -0.0006478900000000, 0.0009143700000000, -0.0001248800000000 ] - [ -0.0002126900000000, 0.0007134200000000, 0.0010964500000000 ] - [ -0.0002445400000000, 0.0008193800000000, 0.0010640900000000 ] - [ 0.0015280500000000, 0.0055612100000000, 0.0005271600000000 ] - [ 0.0035208100000000, 0.0014778200000000, -0.0006235300000000 ] - [ 0.0023341800000000, 0.0001788100000000, 0.0007234100000000 ] - [ 0.0023249200000000, 0.0000563000000000, 0.0008173200000000 ] - [ 0.0035508100000000, -0.0021956600000000, -0.0006699300000000 ] - [ 0.0035493100000000, -0.0022077900000000, -0.0006945900000000 ] - [ 0.0024394900000000, 0.0001224100000000, 0.0009710000000000 ] - [ 0.0023658300000000, -0.0002722200000000, 0.0005382100000000 ] - [ -0.0012703300000000, 0.0004223800000000, 0.0001034900000000 ] - [ -0.0013123200000000, -0.0005443500000000, 0.0006070100000000 ] - [ 0.0045805600000000, 0.0056511300000000, -0.0067507500000000 ] - [ 0.0006738300000000, -0.0037181700000000, -0.0020829900000000 ] - [ -0.0013232300000000, 0.0002161300000000, 0.0005494500000000 ] - [ -0.0013318600000000, 0.0001442500000000, 0.0004194900000000 ] - [ 0.0004253200000000, 0.0024138100000000, -0.0013032900000000 ] - [ 0.0004243300000000, 0.0023805200000000, -0.0012912800000000 ] - [ -0.0052895600000000, 0.0013454000000000, -0.0039734400000000 ] - [ -0.0052567100000000, 0.0014700300000000, -0.0038890500000000 ] - [ -0.0008875100000000, 0.0000833600000000, -0.0009450400000000 ] - [ -0.0009121600000000, 0.0008186200000000, -0.0004253200000000 ] - [ -0.0003533000000000, -0.0241266600000000, 0.0110909500000000 ] - [ 0.0010201000000000, 0.0017314900000000, 0.0023173700000000 ] - [ -0.0052779500000000, -0.0014261700000000, -0.0039674100000000 ] - [ -0.0052721700000000, -0.0014243000000000, -0.0038381600000000 ] - [ -0.0009214900000000, -0.0006152300000000, -0.0005152800000000 ] - [ -0.0009174500000000, -0.0006253100000000, -0.0004716100000000 ] - [ -0.0006428700000000, 0.0014707100000000, -0.0021579300000000 ] - [ -0.0006522000000000, 0.0015001300000000, -0.0021480700000000 ] - [ 0.0010102900000000, -0.0013254500000000, 0.0023297600000000 ] - [ 0.0010093100000000, -0.0013274300000000, 0.0023304900000000 ] - [ 0.0037248100000000, 0.0002960400000000, 0.0030964200000000 ] - [ 0.0037512600000000, 0.0003085000000000, 0.0029690200000000 ] - [ -0.0011480200000000, -0.0007640800000000, -0.0030600600000000 ] - [ -0.0006202200000000, -0.0015344100000000, -0.0019070700000000 ] - [ 0.0016954400000000, 0.0004665200000000, 0.0029005200000000 ] - [ 0.0013489400000000, -0.0002115700000000, 0.0014316100000000 ] - [ 0.0037561600000000, -0.0003449200000000, 0.0030061300000000 ] - [ 0.0036746800000000, -0.0002325500000000, 0.0030580600000000 ] - [ 0.0012659600000000, 0.0004641900000000, 0.0015387800000000 ] - [ 0.0012617000000000, 0.0004805000000000, 0.0015559600000000 ] - [ -0.0006509600000000, 0.0001435600000000, -0.0022439700000000 ] - [ -0.0006779800000000, 0.0002584400000000, -0.0026917900000000 ] - [ -0.0023354000000000, -0.0002283200000000, -0.0004424900000000 ] - [ -0.0032704900000000, 0.0006981600000000, -0.0002360900000000 ] - [ -0.0007398600000000, -0.0001281700000000, -0.0024437100000000 ] - [ -0.0007754400000000, -0.0000690800000000, -0.0024181700000000 ] - [ -0.0026011600000000, 0.0007409700000000, -0.0008485700000000 ] - [ -0.0026085600000000, 0.0007536500000000, -0.0008523300000000 ] - [ 0.0023816000000000, -0.0000574900000000, 0.0005471000000000 ] - [ 0.0014331100000000, 0.0010434400000000, 0.0009705400000000 ] - [ 0.0014190500000000, -0.0000336300000000, -0.0000358500000000 ] - [ 0.0013727900000000, 0.0000694200000000, -0.0000693700000000 ] - [ 0.0011912300000000, -0.0008442300000000, -0.0000693900000000 ] - [ 0.0013197700000000, -0.0002989200000000, -0.0000635400000000 ] - [ 0.0051104400000000, -0.0018545700000000, 0.0031511600000000 ] - [ 0.0030942800000000, -0.0008523800000000, 0.0030172100000000 ] - [ 0.0016671300000000, -0.0007308900000000, 0.0008302500000000 ] - [ 0.0016701500000000, -0.0007275700000000, 0.0008145000000000 ] - [ 0.0013773800000000, -0.0000126900000000, -0.0001074200000000 ] - [ 0.0014219100000000, -0.0000258900000000, -0.0000091400000000 ] - [ 0.0013619900000000, 0.0004721100000000, -0.0001358300000000 ] - [ 0.0013505000000000, 0.0004587200000000, -0.0000998900000000 ] - [ 0.0031315200000000, 0.0012315900000000, 0.0029455400000000 ] - [ 0.0031326800000000, 0.0012286100000000, 0.0029462100000000 ] - [ -0.0013783200000000, -0.0013049100000000, -0.0012114100000000 ] - [ -0.0013634900000000, -0.0012721100000000, -0.0012144800000000 ] - [ -0.0014620300000000, 0.0013358300000000, -0.0013665300000000 ] - [ -0.0013567000000000, 0.0014289000000000, -0.0007865300000000 ] - [ -0.0009312000000000, 0.0005141300000000, -0.0010071600000000 ] - [ -0.0009302000000000, 0.0005130800000000, -0.0011013100000000 ] - [ -0.0014058700000000, 0.0000046800000000, -0.0001405300000000 ] - [ -0.0005555400000000, 0.0006219800000000, -0.0012572200000000 ] - [ -0.0009895100000000, -0.0006247300000000, -0.0010888300000000 ] - [ -0.0008706700000000, -0.0003982400000000, -0.0010321700000000 ] - [ -0.0013931000000000, 0.0002842700000000, -0.0003194000000000 ] - [ -0.0013923400000000, 0.0003052100000000, -0.0003188600000000 ] - [ -0.0022299200000000, -0.0012748700000000, -0.0003385100000000 ] - [ -0.0023340100000000, -0.0011021200000000, -0.0006009100000000 ] - [ -0.0054979400000000, 0.0078004900000000, -0.0010572800000000 ] - [ -0.0020361900000000, 0.0006407000000000, 0.0013627600000000 ] - [ -0.0023073500000000, 0.0011735800000000, -0.0005502900000000 ] - [ -0.0022851700000000, 0.0012047100000000, -0.0005295600000000 ] - [ -0.0019779600000000, 0.0007531300000000, 0.0010436600000000 ] - [ -0.0019721000000000, 0.0007638000000000, 0.0010463300000000 ] - [ -0.0008434600000000, -0.0000072900000000, -0.0006285200000000 ] - [ -0.0003670300000000, 0.0013060000000000, 0.0003341300000000 ] - [ -0.0004936000000000, -0.0010049500000000, 0.0001703400000000 ] - [ -0.0004979500000000, -0.0010006300000000, 0.0001498800000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006473900000000, -0.0005452900000000, 0.0007628000000000 ] - [ 0.0006472200000000, -0.0004373700000000, 0.0008381000000000 ] - [ 0.0003195900000000, 0.0000782800000000, 0.0002084400000000 ] - [ 0.0028210800000000, -0.0023276500000000, 0.0024529000000000 ] - [ 0.0007791800000000, 0.0008692800000000, 0.0006553900000000 ] - [ 0.0006615800000000, 0.0001638800000000, 0.0009446500000000 ] - [ 0.0003463200000000, 0.0004616900000000, -0.0000809200000000 ] - [ 0.0003524000000000, 0.0005036900000000, -0.0000827200000000 ] - [ -0.0026422300000000, -0.0027249700000000, -0.0009267100000000 ] - [ -0.0010083600000000, 0.0001976100000000, -0.0002720000000000 ] - [ -0.0002133600000000, -0.0009467600000000, 0.0006709500000000 ] - [ -0.0001857400000000, -0.0005872700000000, 0.0011288500000000 ] - [ -0.0006504100000000, 0.0009208500000000, -0.0002530700000000 ] - [ -0.0006474000000000, 0.0008963300000000, -0.0002628000000000 ] - [ -0.0002554600000000, 0.0008189100000000, 0.0009368100000000 ] - [ -0.0002233400000000, 0.0007124100000000, 0.0009686200000000 ] - [ 0.0054991200000000, -0.0011036500000000, -0.0019649200000000 ] - [ 0.0035720500000000, 0.0029274100000000, -0.0008843800000000 ] - [ 0.0023438200000000, 0.0000471400000000, 0.0006869700000000 ] - [ 0.0023533600000000, 0.0001691500000000, 0.0005921800000000 ] - [ 0.0035420800000000, -0.0022080200000000, -0.0008355000000000 ] - [ 0.0035436500000000, -0.0021959600000000, -0.0008107000000000 ] - [ 0.0022380400000000, -0.0003450800000000, 0.0004377100000000 ] - [ 0.0023130000000000, 0.0000458200000000, 0.0008728800000000 ] - [ -0.0013650200000000, -0.0007720500000000, 0.0006787900000000 ] - [ -0.0013244300000000, 0.0001921100000000, 0.0001727400000000 ] - [ -0.0035655300000000, -0.0102659400000000, 0.0037170000000000 ] - [ 0.0001713100000000, -0.0010695300000000, -0.0007060300000000 ] - [ -0.0013134100000000, 0.0001368400000000, 0.0002313500000000 ] - [ -0.0013050300000000, 0.0002080800000000, 0.0003620500000000 ] - [ 0.0004224200000000, 0.0023784000000000, -0.0014891300000000 ] - [ 0.0004233400000000, 0.0024113800000000, -0.0015014000000000 ] - [ -0.0052487700000000, 0.0014806900000000, -0.0037354500000000 ] - [ -0.0052817800000000, 0.0013562000000000, -0.0038175700000000 ] - [ -0.0009563500000000, 0.0011685200000000, 0.0000104800000000 ] - [ -0.0009321100000000, 0.0004305900000000, -0.0004941000000000 ] - [ 0.0023349000000000, 0.0264188600000000, -0.0061779500000000 ] - [ 0.0009982300000000, 0.0009045900000000, 0.0024133400000000 ] - [ -0.0052607200000000, -0.0014006800000000, -0.0037394200000000 ] - [ -0.0052663800000000, -0.0014020800000000, -0.0038690300000000 ] - [ -0.0009228100000000, -0.0006346000000000, -0.0004042000000000 ] - [ -0.0009268800000000, -0.0006241900000000, -0.0004478600000000 ] - [ -0.0006435200000000, 0.0015414200000000, -0.0020520400000000 ] - [ -0.0006342900000000, 0.0015123600000000, -0.0020616800000000 ] - [ 0.0010075000000000, -0.0013117700000000, 0.0023996200000000 ] - [ 0.0010085000000000, -0.0013097100000000, 0.0023988700000000 ] - [ 0.0037058200000000, 0.0003155700000000, 0.0030515100000000 ] - [ 0.0036793900000000, 0.0003035300000000, 0.0031796400000000 ] - [ -0.0001421700000000, -0.0022460300000000, -0.0011470400000000 ] - [ -0.0006661200000000, -0.0014766100000000, -0.0023036900000000 ] - [ 0.0008438900000000, -0.0014108300000000, 0.0002803200000000 ] - [ 0.0011851900000000, -0.0007488900000000, 0.0017299800000000 ] - [ 0.0036745400000000, -0.0002670600000000, 0.0031424500000000 ] - [ 0.0037561600000000, -0.0003790500000000, 0.0030896800000000 ] - [ 0.0012685500000000, 0.0004970900000000, 0.0016229100000000 ] - [ 0.0012728100000000, 0.0004807900000000, 0.0016056900000000 ] - [ -0.0008642000000000, 0.0000421300000000, -0.0025729800000000 ] - [ -0.0008375400000000, -0.0000723900000000, -0.0021248200000000 ] - [ -0.0028733300000000, -0.0012428900000000, -0.0011962700000000 ] - [ -0.0019162000000000, -0.0021846500000000, -0.0014119000000000 ] - [ -0.0007755100000000, -0.0000577500000000, -0.0023737000000000 ] - [ -0.0007399100000000, -0.0001169600000000, -0.0023995500000000 ] - [ -0.0026047600000000, 0.0007271500000000, -0.0007913700000000 ] - [ -0.0025973400000000, 0.0007144200000000, -0.0007875700000000 ] - [ 0.0009474600000000, 0.0015399100000000, 0.0011685800000000 ] - [ 0.0018940400000000, 0.0004398100000000, 0.0007447900000000 ] - [ 0.0013808500000000, 0.0000603800000000, -0.0000299300000000 ] - [ 0.0014273400000000, -0.0000428300000000, 0.0000041500000000 ] - [ 0.0015041800000000, -0.0000821900000000, -0.0001111100000000 ] - [ 0.0013753800000000, -0.0006288900000000, -0.0001165200000000 ] - [ 0.0011757600000000, -0.0006180400000000, 0.0028055000000000 ] - [ 0.0031916300000000, -0.0016142700000000, 0.0029432100000000 ] - [ 0.0016605300000000, -0.0007528700000000, 0.0008862500000000 ] - [ 0.0016575000000000, -0.0007560500000000, 0.0009020300000000 ] - [ 0.0014226300000000, -0.0000143900000000, 0.0000417000000000 ] - [ 0.0013779300000000, -0.0000007900000000, -0.0000565000000000 ] - [ 0.0013332700000000, 0.0004548700000000, -0.0000443800000000 ] - [ 0.0013448000000000, 0.0004683400000000, -0.0000802700000000 ] - [ 0.0031548500000000, 0.0012341300000000, 0.0030137100000000 ] - [ 0.0031537500000000, 0.0012372000000000, 0.0030130400000000 ] - [ -0.0013582200000000, -0.0012925400000000, -0.0011355800000000 ] - [ -0.0013730900000000, -0.0013255400000000, -0.0011324100000000 ] - [ -0.0012745600000000, 0.0012604100000000, -0.0009815300000000 ] - [ -0.0013798600000000, 0.0011704000000000, -0.0015582400000000 ] - [ -0.0009402500000000, 0.0004870200000000, -0.0010374600000000 ] - [ -0.0009413400000000, 0.0004885600000000, -0.0009434500000000 ] - [ -0.0013759300000000, -0.0005970400000000, -0.0004281500000000 ] - [ -0.0022444300000000, -0.0012174100000000, 0.0007018500000000 ] - [ -0.0008811800000000, -0.0003762400000000, -0.0009551300000000 ] - [ -0.0010007000000000, -0.0006035700000000, -0.0010128800000000 ] - [ -0.0013902900000000, 0.0003036000000000, -0.0002485200000000 ] - [ -0.0013910400000000, 0.0002825800000000, -0.0002491100000000 ] - [ -0.0023546300000000, -0.0011024700000000, -0.0006898600000000 ] - [ -0.0022508400000000, -0.0012744400000000, -0.0004259000000000 ] - [ 0.0014551700000000, -0.0091540700000000, 0.0031549700000000 ] - [ -0.0019446300000000, -0.0021932100000000, 0.0007806700000000 ] - [ -0.0022775600000000, 0.0012030800000000, -0.0004770600000000 ] - [ -0.0022996800000000, 0.0011720600000000, -0.0004980100000000 ] - [ -0.0019959700000000, 0.0007697600000000, 0.0011071000000000 ] - [ -0.0020018300000000, 0.0007591200000000, 0.0011044300000000 ] - [ -0.0001340600000000, 0.0019973800000000, 0.0010457200000000 ] - [ -0.0006153500000000, 0.0006917800000000, 0.0000593000000000 ] - [ -0.0004889300000000, -0.0009934000000000, 0.0002245900000000 ] - [ -0.0004847000000000, -0.0009976500000000, 0.0002451900000000 ]- atom: 37 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0005984000000000, -0.0004350100000000, 0.0004699000000000 ] - [ 0.0006498700000000, -0.0005610600000000, 0.0005667700000000 ] - [ 0.0002350400000000, -0.0006992900000000, 0.0009009700000000 ] - [ 0.0040225100000000, -0.0029356200000000, 0.0045433500000000 ] - [ 0.0008172900000000, 0.0008428500000000, 0.0006875600000000 ] - [ 0.0006070500000000, 0.0000941700000000, 0.0006301200000000 ] - [ 0.0003526400000000, 0.0004469900000000, -0.0003532000000000 ] - [ 0.0003615400000000, 0.0004926700000000, -0.0003300100000000 ] - [ 0.0030753100000000, 0.0002025200000000, 0.0038304200000000 ] - [ -0.0006713700000000, -0.0004426500000000, 0.0002657300000000 ] - [ 0.0000322400000000, -0.0005366000000000, 0.0005595400000000 ] - [ -0.0002535300000000, -0.0009181600000000, 0.0010399600000000 ] - [ -0.0006511200000000, 0.0009122700000000, -0.0004895900000000 ] - [ -0.0006560400000000, 0.0009272500000000, -0.0005086900000000 ] - [ -0.0002618800000000, 0.0008430500000000, 0.0007579300000000 ] - [ -0.0001902000000000, 0.0006633000000000, 0.0006493400000000 ] - [ 0.0022348600000000, 0.0031920500000000, 0.0021973100000000 ] - [ 0.0034940500000000, 0.0026639500000000, -0.0001134800000000 ] - [ 0.0023852500000000, 0.0000312400000000, 0.0003071000000000 ] - [ 0.0023377700000000, 0.0001855200000000, 0.0004109800000000 ] - [ 0.0035281000000000, -0.0021969500000000, -0.0011103500000000 ] - [ 0.0035374400000000, -0.0022056700000000, -0.0010622600000000 ] - [ 0.0020969600000000, 0.0004038100000000, 0.0000240200000000 ] - [ 0.0024244400000000, -0.0002121200000000, 0.0006473300000000 ] - [ -0.0016156600000000, -0.0008067200000000, -0.0001503200000000 ] - [ -0.0012759800000000, 0.0001790900000000, 0.0002930300000000 ] - [ -0.0029785000000000, -0.0068692600000000, 0.0059574900000000 ] - [ 0.0003829900000000, -0.0023867500000000, -0.0006719000000000 ] - [ -0.0012968900000000, 0.0002313100000000, -0.0001628800000000 ] - [ -0.0013329800000000, 0.0001324800000000, 0.0000551000000000 ] - [ 0.0004161600000000, 0.0023716900000000, -0.0018829100000000 ] - [ 0.0004249900000000, 0.0024168700000000, -0.0018430800000000 ] - [ -0.0052729000000000, 0.0014538100000000, -0.0033176900000000 ] - [ -0.0052623900000000, 0.0013909200000000, -0.0037817900000000 ] - [ -0.0009301700000000, 0.0008828800000000, 0.0026893500000000 ] - [ -0.0009158200000000, 0.0005425400000000, -0.0005358900000000 ] - [ -0.0032060300000000, 0.0098879000000000, -0.0260228300000000 ] - [ 0.0009544600000000, 0.0012706700000000, 0.0019715700000000 ] - [ -0.0053126500000000, -0.0014638000000000, -0.0036419500000000 ] - [ -0.0052621500000000, -0.0013481900000000, -0.0037407100000000 ] - [ -0.0009221000000000, -0.0006659800000000, -0.0002982100000000 ] - [ -0.0009441700000000, -0.0006301400000000, -0.0003374400000000 ] - [ -0.0006196700000000, 0.0016223900000000, -0.0018486100000000 ] - [ -0.0006253600000000, 0.0015800200000000, -0.0019125600000000 ] - [ 0.0010029600000000, -0.0012835600000000, 0.0025311500000000 ] - [ 0.0010089500000000, -0.0012843100000000, 0.0025216400000000 ] - [ 0.0037222900000000, 0.0004350800000000, 0.0032906100000000 ] - [ 0.0036584700000000, 0.0002950700000000, 0.0032198900000000 ] - [ -0.0002518000000000, -0.0020872900000000, -0.0012427900000000 ] - [ -0.0006456000000000, -0.0013421700000000, -0.0023900600000000 ] - [ 0.0016939100000000, 0.0007945100000000, 0.0021628700000000 ] - [ 0.0011257100000000, -0.0007508600000000, 0.0014957100000000 ] - [ 0.0036344400000000, -0.0004031500000000, 0.0033978100000000 ] - [ 0.0037128100000000, -0.0003497100000000, 0.0031528900000000 ] - [ 0.0012837900000000, 0.0005215100000000, 0.0017602400000000 ] - [ 0.0012847600000000, 0.0005149300000000, 0.0017233700000000 ] - [ -0.0005725300000000, 0.0003411200000000, -0.0023716800000000 ] - [ -0.0009191600000000, -0.0002228700000000, -0.0021638900000000 ] - [ -0.0030087600000000, -0.0015915800000000, -0.0016172900000000 ] - [ -0.0027453300000000, -0.0003339200000000, -0.0013219400000000 ] - [ -0.0007708400000000, -0.0000409600000000, -0.0022665900000000 ] - [ -0.0007439800000000, -0.0000911800000000, -0.0023297300000000 ] - [ -0.0025950200000000, 0.0006685700000000, -0.0006687400000000 ] - [ -0.0025963500000000, 0.0006717600000000, -0.0006835100000000 ] - [ 0.0012809700000000, 0.0011059600000000, 0.0009567300000000 ] - [ 0.0017452100000000, 0.0006112600000000, 0.0006617200000000 ] - [ 0.0014552500000000, 0.0000068200000000, 0.0001256200000000 ] - [ 0.0014266600000000, -0.0000124900000000, 0.0000351300000000 ] - [ 0.0012965400000000, -0.0004149700000000, 0.0000397000000000 ] - [ 0.0013930200000000, -0.0005197200000000, -0.0001903200000000 ] - [ 0.0027191200000000, -0.0011136500000000, 0.0014635600000000 ] - [ 0.0030372800000000, -0.0012572200000000, 0.0026126600000000 ] - [ 0.0016445400000000, -0.0007909100000000, 0.0010247600000000 ] - [ 0.0016341600000000, -0.0008158500000000, 0.0010392000000000 ] - [ 0.0014848800000000, -0.0000605100000000, 0.0001349100000000 ] - [ 0.0014311600000000, 0.0000580400000000, 0.0000973700000000 ] - [ 0.0012918800000000, 0.0004350600000000, 0.0000562500000000 ] - [ 0.0013171500000000, 0.0004683900000000, 0.0000352200000000 ] - [ 0.0031985000000000, 0.0012435700000000, 0.0031427900000000 ] - [ 0.0031917500000000, 0.0012450800000000, 0.0031380900000000 ] - [ -0.0013553900000000, -0.0013554800000000, -0.0009644200000000 ] - [ -0.0013570400000000, -0.0013411600000000, -0.0009987600000000 ] - [ -0.0013021100000000, 0.0010945800000000, -0.0013152300000000 ] - [ -0.0014035200000000, 0.0015528200000000, -0.0010427200000000 ] - [ -0.0009657800000000, 0.0005214600000000, -0.0009106400000000 ] - [ -0.0009539700000000, 0.0004042400000000, -0.0008367900000000 ] - [ -0.0014815800000000, 0.0001741600000000, -0.0007412900000000 ] - [ -0.0021623600000000, -0.0015712200000000, 0.0002489600000000 ] - [ -0.0008155400000000, -0.0002716000000000, -0.0007009200000000 ] - [ -0.0009849000000000, -0.0005492900000000, -0.0009704100000000 ] - [ -0.0013881200000000, 0.0002984600000000, -0.0001069300000000 ] - [ -0.0013868200000000, 0.0002789800000000, -0.0001260800000000 ] - [ -0.0022709000000000, -0.0010316500000000, -0.0003799900000000 ] - [ -0.0022338200000000, -0.0013147500000000, -0.0005059700000000 ] - [ -0.0004857400000000, -0.0036885700000000, 0.0005374500000000 ] - [ -0.0018180300000000, -0.0006000200000000, 0.0007349100000000 ] - [ -0.0022700000000000, 0.0011765000000000, -0.0003601700000000 ] - [ -0.0022841900000000, 0.0011826300000000, -0.0004177200000000 ] - [ -0.0020444700000000, 0.0007774100000000, 0.0012280000000000 ] - [ -0.0020414300000000, 0.0007710600000000, 0.0012109200000000 ] - [ 0.0011329800000000, -0.0006655000000000, 0.0077290000000000 ] - [ -0.0005314000000000, 0.0009233200000000, 0.0000245600000000 ] - [ -0.0004692800000000, -0.0009710300000000, 0.0003826000000000 ] - [ -0.0004651900000000, -0.0009953800000000, 0.0003697800000000 ]- atom: 37 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0007173500000000, -0.0005463700000000, 0.0012821700000000 ] - [ 0.0006666000000000, -0.0004207500000000, 0.0011856500000000 ] - [ 0.0004578000000000, -0.0002730100000000, -0.0009239700000000 ] - [ -0.0032267200000000, 0.0018977900000000, -0.0044956300000000 ] - [ 0.0004992300000000, 0.0001380100000000, 0.0010634900000000 ] - [ 0.0007094300000000, 0.0008894300000000, 0.0011201400000000 ] - [ 0.0003400000000000, 0.0005242200000000, 0.0003276200000000 ] - [ 0.0003309800000000, 0.0004780800000000, 0.0003044400000000 ] - [ -0.0044477400000000, -0.0020482900000000, -0.0042441200000000 ] - [ -0.0006262300000000, -0.0013656600000000, -0.0006512900000000 ] - [ -0.0004973100000000, -0.0009946800000000, 0.0014716400000000 ] - [ -0.0002145400000000, -0.0006145200000000, 0.0009926500000000 ] - [ -0.0006439500000000, 0.0008979500000000, 0.0001025800000000 ] - [ -0.0006391000000000, 0.0008832000000000, 0.0001216000000000 ] - [ -0.0002057800000000, 0.0006889800000000, 0.0012734100000000 ] - [ -0.0002778900000000, 0.0008698800000000, 0.0013823500000000 ] - [ 0.0047924900000000, 0.0012833500000000, -0.0036306400000000 ] - [ 0.0035983200000000, 0.0017414000000000, -0.0013870000000000 ] - [ 0.0022940900000000, 0.0001933000000000, 0.0011021800000000 ] - [ 0.0023410000000000, 0.0000401600000000, 0.0009986200000000 ] - [ 0.0035654400000000, -0.0022078500000000, -0.0003948700000000 ] - [ 0.0035560600000000, -0.0021990500000000, -0.0004432000000000 ] - [ 0.0025825800000000, -0.0006323000000000, 0.0013844800000000 ] - [ 0.0022546200000000, -0.0000136900000000, 0.0007602300000000 ] - [ -0.0010245500000000, 0.0004511900000000, 0.0009317000000000 ] - [ -0.0013613900000000, -0.0005287700000000, 0.0004888500000000 ] - [ 0.0039665000000000, 0.0023065100000000, -0.0089154600000000 ] - [ 0.0004664600000000, -0.0024092200000000, -0.0021224400000000 ] - [ -0.0013406000000000, 0.0001191700000000, 0.0009437700000000 ] - [ -0.0013044400000000, 0.0002182900000000, 0.0007244600000000 ] - [ 0.0004310600000000, 0.0024198000000000, -0.0009114200000000 ] - [ 0.0004223200000000, 0.0023749700000000, -0.0009511500000000 ] - [ -0.0052637400000000, 0.0013745900000000, -0.0043873200000000 ] - [ -0.0052739200000000, 0.0014367900000000, -0.0039281200000000 ] - [ -0.0009121300000000, 0.0003694700000000, -0.0035247400000000 ] - [ -0.0009271300000000, 0.0007081600000000, -0.0003817500000000 ] - [ 0.0051894200000000, -0.0074659100000000, 0.0308244500000000 ] - [ 0.0010646200000000, 0.0013684900000000, 0.0027551300000000 ] - [ -0.0052232700000000, -0.0013633700000000, -0.0040677800000000 ] - [ -0.0052741900000000, -0.0014796800000000, -0.0039685400000000 ] - [ -0.0009211200000000, -0.0005846900000000, -0.0006186600000000 ] - [ -0.0008989500000000, -0.0006207600000000, -0.0005792900000000 ] - [ -0.0006656000000000, 0.0013923400000000, -0.0023579900000000 ] - [ -0.0006600800000000, 0.0014346100000000, -0.0022946000000000 ] - [ 0.0010166500000000, -0.0013542700000000, 0.0021974100000000 ] - [ 0.0010107000000000, -0.0013536300000000, 0.0022068300000000 ] - [ 0.0037094100000000, 0.0001747800000000, 0.0028545600000000 ] - [ 0.0037731400000000, 0.0003140800000000, 0.0029248900000000 ] - [ -0.0010345800000000, -0.0009330600000000, -0.0029643100000000 ] - [ -0.0006399900000000, -0.0016718300000000, -0.0018158800000000 ] - [ 0.0008437100000000, -0.0017422500000000, 0.0010093300000000 ] - [ 0.0014084800000000, -0.0002119700000000, 0.0016680300000000 ] - [ 0.0037976700000000, -0.0002062900000000, 0.0027467700000000 ] - [ 0.0037187000000000, -0.0002598800000000, 0.0029930300000000 ] - [ 0.0012509200000000, 0.0004417400000000, 0.0014046500000000 ] - [ 0.0012499400000000, 0.0004483900000000, 0.0014417200000000 ] - [ -0.0009436600000000, -0.0001557800000000, -0.0024445000000000 ] - [ -0.0005995200000000, 0.0004071300000000, -0.0026528400000000 ] - [ -0.0021980000000000, 0.0001237900000000, -0.0000199600000000 ] - [ -0.0024641100000000, -0.0011347400000000, -0.0003165900000000 ] - [ -0.0007463700000000, -0.0001433400000000, -0.0025495800000000 ] - [ -0.0007734600000000, -0.0000927600000000, -0.0024861700000000 ] - [ -0.0026126100000000, 0.0008015400000000, -0.0009717900000000 ] - [ -0.0026113400000000, 0.0007984200000000, -0.0009571200000000 ] - [ 0.0020463600000000, 0.0003766500000000, 0.0007626200000000 ] - [ 0.0015805100000000, 0.0008754800000000, 0.0010579300000000 ] - [ 0.0013423600000000, 0.0000222700000000, -0.0001941400000000 ] - [ 0.0013707900000000, 0.0000415300000000, -0.0001039100000000 ] - [ 0.0013964700000000, -0.0005107800000000, -0.0002175600000000 ] - [ 0.0013009400000000, -0.0004057400000000, 0.0000122000000000 ] - [ 0.0035516100000000, -0.0013576800000000, 0.0044908100000000 ] - [ 0.0032460400000000, -0.0012061000000000, 0.0033435600000000 ] - [ 0.0016814300000000, -0.0006953000000000, 0.0006944500000000 ] - [ 0.0016916600000000, -0.0006705700000000, 0.0006801100000000 ] - [ 0.0013121100000000, 0.0000319500000000, -0.0002034300000000 ] - [ 0.0013664100000000, -0.0000871900000000, -0.0001653000000000 ] - [ 0.0014019800000000, 0.0004904000000000, -0.0002333300000000 ] - [ 0.0013765300000000, 0.0004569000000000, -0.0002121100000000 ] - [ 0.0030854600000000, 0.0012209100000000, 0.0028152000000000 ] - [ 0.0030922600000000, 0.0012193900000000, 0.0028199200000000 ] - [ -0.0013821200000000, -0.0012414700000000, -0.0013816000000000 ] - [ -0.0013804800000000, -0.0012557200000000, -0.0013474500000000 ] - [ -0.0014350300000000, 0.0015028200000000, -0.0010292800000000 ] - [ -0.0013335700000000, 0.0010465500000000, -0.0012994200000000 ] - [ -0.0009068700000000, 0.0004789500000000, -0.0011359200000000 ] - [ -0.0009186900000000, 0.0005956500000000, -0.0012095400000000 ] - [ -0.0013010300000000, -0.0007595700000000, 0.0001725800000000 ] - [ -0.0006366600000000, 0.0009665700000000, -0.0008076500000000 ] - [ -0.0010579400000000, -0.0007297700000000, -0.0013456900000000 ] - [ -0.0008876000000000, -0.0004504500000000, -0.0010752400000000 ] - [ -0.0013947600000000, 0.0002893700000000, -0.0004597900000000 ] - [ -0.0013960500000000, 0.0003090100000000, -0.0004406200000000 ] - [ -0.0023122300000000, -0.0013478700000000, -0.0006482100000000 ] - [ -0.0023493300000000, -0.0010642700000000, -0.0005205500000000 ] - [ -0.0034793000000000, 0.0021492000000000, 0.0016279200000000 ] - [ -0.0021545300000000, -0.0009180500000000, 0.0014159600000000 ] - [ -0.0023133500000000, 0.0012021600000000, -0.0006658700000000 ] - [ -0.0022990600000000, 0.0011960400000000, -0.0006080900000000 ] - [ -0.0019270400000000, 0.0007476500000000, 0.0009228000000000 ] - [ -0.0019300600000000, 0.0007540100000000, 0.0009398400000000 ] - [ -0.0021444200000000, 0.0027018600000000, -0.0075020300000000 ] - [ -0.0004486100000000, 0.0010769500000000, 0.0003750800000000 ] - [ -0.0005108700000000, -0.0010287500000000, 0.0000164400000000 ] - [ -0.0005149500000000, -0.0010046000000000, 0.0000292200000000 ]- atom: 43 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0044281600000000, -0.0051692300000000, -0.0032564500000000 ] - [ 0.0006291200000000, -0.0004496500000000, 0.0011820100000000 ] - [ 0.0003421500000000, -0.0004495800000000, -0.0000628500000000 ] - [ 0.0003589300000000, -0.0005189000000000, -0.0000348600000000 ] - [ 0.0006575900000000, 0.0004972200000000, 0.0008355400000000 ] - [ 0.0006578500000000, 0.0004868800000000, 0.0008320900000000 ] - [ 0.0004655700000000, 0.0006376500000000, -0.0002520900000000 ] - [ 0.0003243600000000, 0.0004915200000000, -0.0000443200000000 ] - [ -0.0006494400000000, -0.0009154000000000, -0.0002268300000000 ] - [ -0.0006475500000000, -0.0008991800000000, -0.0002334000000000 ] - [ -0.0002764800000000, -0.0008939500000000, 0.0010700600000000 ] - [ -0.0001897300000000, -0.0006381400000000, 0.0008520900000000 ] - [ -0.0010854300000000, 0.0009430800000000, -0.0000230800000000 ] - [ -0.0010401800000000, 0.0008554900000000, -0.0000804400000000 ] - [ -0.0002328600000000, 0.0007781100000000, 0.0009904300000000 ] - [ -0.0002286200000000, 0.0007548500000000, 0.0009628100000000 ] - [ 0.0035309300000000, 0.0021879100000000, -0.0008278600000000 ] - [ 0.0035514400000000, 0.0022154200000000, -0.0007599700000000 ] - [ 0.0074867300000000, -0.0029913300000000, 0.0056099900000000 ] - [ 0.0023711300000000, 0.0002826100000000, 0.0006963000000000 ] - [ 0.0035178500000000, -0.0021267900000000, -0.0006198600000000 ] - [ 0.0035251800000000, -0.0021766800000000, -0.0007654400000000 ] - [ 0.0023383800000000, -0.0001172000000000, 0.0006652100000000 ] - [ 0.0023391800000000, -0.0001115700000000, 0.0006619900000000 ] - [ -0.0012739000000000, -0.0001639400000000, 0.0002663400000000 ] - [ -0.0013757700000000, -0.0000612200000000, 0.0005045200000000 ] - [ 0.0004265600000000, -0.0024002900000000, -0.0014566700000000 ] - [ 0.0004216100000000, -0.0023921300000000, -0.0014449200000000 ] - [ -0.0013213900000000, 0.0001500500000000, 0.0003479400000000 ] - [ -0.0013189200000000, 0.0001993600000000, 0.0003305000000000 ] - [ 0.0036073300000000, 0.0031543900000000, 0.0007665900000000 ] - [ 0.0006184300000000, 0.0025751900000000, -0.0013319300000000 ] - [ -0.0055059100000000, 0.0016139200000000, -0.0036653600000000 ] - [ -0.0053021500000000, 0.0013353700000000, -0.0038578400000000 ] - [ -0.0009066600000000, 0.0006504900000000, -0.0004063100000000 ] - [ -0.0009353600000000, 0.0005999700000000, -0.0004563000000000 ] - [ 0.0010074400000000, 0.0013192900000000, 0.0023870900000000 ] - [ 0.0010096300000000, 0.0013099300000000, 0.0023816800000000 ] - [ -0.0052674100000000, -0.0014112000000000, -0.0038365100000000 ] - [ -0.0052671100000000, -0.0014118700000000, -0.0038309700000000 ] - [ -0.0009382700000000, -0.0006329400000000, -0.0004553000000000 ] - [ -0.0009488500000000, -0.0006522000000000, -0.0004196500000000 ] - [ -0.0214193000000000, 0.0103929300000000, -0.0060344400000000 ] - [ -0.0006870900000000, 0.0013983600000000, -0.0021756200000000 ] - [ 0.0006449300000000, -0.0008179900000000, 0.0027419300000000 ] - [ 0.0009915300000000, -0.0013411800000000, 0.0023618900000000 ] - [ 0.0034776200000000, 0.0003607200000000, 0.0030288200000000 ] - [ 0.0035620900000000, 0.0000531400000000, 0.0028877700000000 ] - [ -0.0006409700000000, -0.0015169000000000, -0.0020781500000000 ] - [ -0.0006398900000000, -0.0015167300000000, -0.0020801100000000 ] - [ 0.0012598800000000, -0.0004864200000000, 0.0016224900000000 ] - [ 0.0012685800000000, -0.0004832700000000, 0.0015768800000000 ] - [ 0.0037082300000000, -0.0003097300000000, 0.0030929500000000 ] - [ 0.0037131200000000, -0.0003165400000000, 0.0030989200000000 ] - [ 0.0012195000000000, 0.0005235800000000, 0.0016020900000000 ] - [ 0.0012697000000000, 0.0004762600000000, 0.0015900000000000 ] - [ -0.0007613300000000, 0.0000647200000000, -0.0023569700000000 ] - [ -0.0007459600000000, 0.0001118500000000, -0.0024312900000000 ] - [ -0.0026035400000000, -0.0007275700000000, -0.0008006700000000 ] - [ -0.0026006800000000, -0.0007264000000000, -0.0008056800000000 ] - [ -0.0007622600000000, -0.0000668700000000, -0.0023860900000000 ] - [ -0.0007566400000000, -0.0000994000000000, -0.0023992000000000 ] - [ -0.0012055600000000, 0.0000245100000000, 0.0025646300000000 ] - [ -0.0025817500000000, 0.0007066400000000, -0.0008255400000000 ] - [ 0.0016597100000000, 0.0007515000000000, 0.0008806400000000 ] - [ 0.0016619800000000, 0.0007472800000000, 0.0008772300000000 ] - [ 0.0017024700000000, 0.0003178300000000, 0.0000888000000000 ] - [ 0.0014442900000000, -0.0000710600000000, -0.0000162000000000 ] - [ 0.0013219000000000, -0.0004451400000000, -0.0000754300000000 ] - [ 0.0013586600000000, -0.0004888900000000, -0.0000872000000000 ] - [ 0.0031510400000000, -0.0012287000000000, 0.0029999900000000 ] - [ 0.0031475900000000, -0.0012393800000000, 0.0029962200000000 ] - [ 0.0028436200000000, 0.0010953800000000, 0.0012517600000000 ] - [ 0.0016009300000000, -0.0008370200000000, 0.0010075600000000 ] - [ 0.0014038100000000, -0.0000099200000000, -0.0000180900000000 ] - [ 0.0014055000000000, -0.0000108000000000, -0.0000094800000000 ] - [ 0.0013766600000000, 0.0004562400000000, -0.0000972200000000 ] - [ 0.0013594400000000, 0.0004464200000000, -0.0000633200000000 ] - [ 0.0030443900000000, 0.0012223800000000, 0.0029022500000000 ] - [ 0.0031520100000000, 0.0011953600000000, 0.0029947100000000 ] - [ 0.0034829400000000, -0.0009774800000000, -0.0012334100000000 ] - [ -0.0012566700000000, -0.0013137800000000, -0.0012592300000000 ] - [ -0.0013659200000000, 0.0013040500000000, -0.0011500600000000 ] - [ -0.0013661200000000, 0.0013060400000000, -0.0011502800000000 ] - [ -0.0006879500000000, -0.0002173900000000, -0.0009544200000000 ] - [ -0.0005895600000000, 0.0004906700000000, -0.0011040700000000 ] - [ -0.0013899100000000, -0.0003088500000000, -0.0002506200000000 ] - [ -0.0013898200000000, -0.0002788900000000, -0.0002783900000000 ] - [ -0.0009374300000000, -0.0004918200000000, -0.0009996000000000 ] - [ -0.0009398900000000, -0.0004991700000000, -0.0010049000000000 ] - [ -0.0012797600000000, 0.0003274200000000, -0.0002153000000000 ] - [ -0.0014170400000000, 0.0002946600000000, -0.0002672700000000 ] - [ -0.0023099400000000, -0.0011823400000000, -0.0004300300000000 ] - [ -0.0023023600000000, -0.0012028200000000, -0.0005535300000000 ] - [ -0.0019948100000000, -0.0007640700000000, 0.0010976500000000 ] - [ -0.0019921400000000, -0.0007620900000000, 0.0010867300000000 ] - [ -0.0022996800000000, 0.0012023400000000, -0.0005123600000000 ] - [ -0.0022915300000000, 0.0011779500000000, -0.0004987200000000 ] - [ -0.0009158100000000, 0.0000607100000000, -0.0014908000000000 ] - [ -0.0019874700000000, 0.0007556700000000, 0.0010380700000000 ] - [ -0.0004869200000000, 0.0009989900000000, 0.0002199000000000 ] - [ -0.0004898800000000, 0.0009958200000000, 0.0002183000000000 ] - [ 0.0003896900000000, -0.0042702200000000, -0.0008834000000000 ] - [ -0.0004298100000000, -0.0007058000000000, 0.0001549200000000 ]- atom: 43 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ -0.0030821300000000, 0.0041058900000000, 0.0049272300000000 ] - [ 0.0006888600000000, -0.0005300500000000, 0.0005664200000000 ] - [ 0.0003506700000000, -0.0005215700000000, 0.0000388300000000 ] - [ 0.0003337800000000, -0.0004518300000000, 0.0000112100000000 ] - [ 0.0006595200000000, 0.0004843600000000, 0.0009184700000000 ] - [ 0.0006592100000000, 0.0004945200000000, 0.0009219700000000 ] - [ 0.0002272200000000, 0.0003317900000000, 0.0002287100000000 ] - [ 0.0003686900000000, 0.0004809200000000, 0.0000208400000000 ] - [ -0.0006454000000000, -0.0008955900000000, -0.0001597200000000 ] - [ -0.0006473400000000, -0.0009117700000000, -0.0001531800000000 ] - [ -0.0001903100000000, -0.0006369500000000, 0.0009640600000000 ] - [ -0.0002780300000000, -0.0008946600000000, 0.0011814500000000 ] - [ -0.0002098500000000, 0.0008721800000000, -0.0003660600000000 ] - [ -0.0002531300000000, 0.0009532500000000, -0.0003134000000000 ] - [ -0.0002348800000000, 0.0007541100000000, 0.0010437200000000 ] - [ -0.0002390800000000, 0.0007769200000000, 0.0010711100000000 ] - [ 0.0035624100000000, 0.0022154200000000, -0.0006758500000000 ] - [ 0.0035417100000000, 0.0021882000000000, -0.0007443600000000 ] - [ -0.0029298500000000, 0.0033056600000000, -0.0043596000000000 ] - [ 0.0023079700000000, -0.0000563600000000, 0.0007113600000000 ] - [ 0.0035756900000000, -0.0022773900000000, -0.0008822100000000 ] - [ 0.0035680300000000, -0.0022267100000000, -0.0007398800000000 ] - [ 0.0023400800000000, -0.0001083100000000, 0.0007461300000000 ] - [ 0.0023393600000000, -0.0001138600000000, 0.0007492100000000 ] - [ -0.0013635900000000, -0.0001924900000000, 0.0005157500000000 ] - [ -0.0012606600000000, -0.0002905400000000, 0.0002773200000000 ] - [ 0.0004213700000000, -0.0023922600000000, -0.0013339300000000 ] - [ 0.0004263800000000, -0.0024002000000000, -0.0013458300000000 ] - [ -0.0013149400000000, 0.0002025900000000, 0.0004349100000000 ] - [ -0.0013174900000000, 0.0001535700000000, 0.0004516200000000 ] - [ -0.0027880600000000, 0.0016110500000000, -0.0035933300000000 ] - [ 0.0002296100000000, 0.0022183000000000, -0.0014647100000000 ] - [ -0.0050312200000000, 0.0012142500000000, -0.0040460300000000 ] - [ -0.0052355800000000, 0.0014908400000000, -0.0038488200000000 ] - [ -0.0009366900000000, 0.0005994800000000, -0.0005147000000000 ] - [ -0.0009080300000000, 0.0006500300000000, -0.0004634400000000 ] - [ 0.0010105200000000, 0.0013184500000000, 0.0023411500000000 ] - [ 0.0010084500000000, 0.0013275800000000, 0.0023468200000000 ] - [ -0.0052705000000000, -0.0014158000000000, -0.0038713900000000 ] - [ -0.0052708700000000, -0.0014151500000000, -0.0038767600000000 ] - [ -0.0009053300000000, -0.0006172800000000, -0.0004647700000000 ] - [ -0.0008948600000000, -0.0005981100000000, -0.0004998800000000 ] - [ 0.0202122100000000, -0.0073761200000000, 0.0020416900000000 ] - [ -0.0005980500000000, 0.0016142700000000, -0.0020331100000000 ] - [ 0.0013779100000000, -0.0018224500000000, 0.0019849800000000 ] - [ 0.0010267800000000, -0.0012956400000000, 0.0023678500000000 ] - [ 0.0039543500000000, 0.0002519800000000, 0.0031226800000000 ] - [ 0.0038675600000000, 0.0005563900000000, 0.0032596700000000 ] - [ -0.0006451700000000, -0.0014954600000000, -0.0021323700000000 ] - [ -0.0006461700000000, -0.0014957800000000, -0.0021302400000000 ] - [ 0.0012750500000000, -0.0004747500000000, 0.0015388000000000 ] - [ 0.0012660500000000, -0.0004782600000000, 0.0015846900000000 ] - [ 0.0037233000000000, -0.0003016300000000, 0.0030542000000000 ] - [ 0.0037182100000000, -0.0002950500000000, 0.0030485700000000 ] - [ 0.0013150800000000, 0.0004378400000000, 0.0015590300000000 ] - [ 0.0012652600000000, 0.0004846500000000, 0.0015718200000000 ] - [ -0.0007538000000000, 0.0001211400000000, -0.0024604700000000 ] - [ -0.0007694500000000, 0.0000729400000000, -0.0023862400000000 ] - [ -0.0026020600000000, -0.0007413800000000, -0.0008397900000000 ] - [ -0.0026050100000000, -0.0007426300000000, -0.0008348200000000 ] - [ -0.0007530900000000, -0.0001184000000000, -0.0024316700000000 ] - [ -0.0007584900000000, -0.0000863500000000, -0.0024187000000000 ] - [ -0.0040017000000000, 0.0014418000000000, -0.0041747700000000 ] - [ -0.0026232000000000, 0.0007603000000000, -0.0008138300000000 ] - [ 0.0016681700000000, 0.0007321700000000, 0.0008355700000000 ] - [ 0.0016659100000000, 0.0007363800000000, 0.0008390200000000 ] - [ 0.0010958900000000, -0.0002914300000000, -0.0001540500000000 ] - [ 0.0013555500000000, 0.0000976600000000, -0.0000491000000000 ] - [ 0.0013733700000000, -0.0004820600000000, -0.0001052600000000 ] - [ 0.0013365300000000, -0.0004384100000000, -0.0000932000000000 ] - [ 0.0031350400000000, -0.0012371200000000, 0.0029582500000000 ] - [ 0.0031384900000000, -0.0012264900000000, 0.0029620600000000 ] - [ 0.0004908400000000, -0.0025613900000000, 0.0004731100000000 ] - [ 0.0017268700000000, -0.0006476400000000, 0.0007113100000000 ] - [ 0.0013958100000000, -0.0000171400000000, -0.0000483900000000 ] - [ 0.0013941300000000, -0.0000162900000000, -0.0000567400000000 ] - [ 0.0013187600000000, 0.0004706400000000, -0.0000835300000000 ] - [ 0.0013358500000000, 0.0004805000000000, -0.0001168900000000 ] - [ 0.0032376600000000, 0.0012423000000000, 0.0030540000000000 ] - [ 0.0031344300000000, 0.0012707700000000, 0.0029646900000000 ] - [ -0.0062072600000000, -0.0016377200000000, -0.0011180700000000 ] - [ -0.0014792200000000, -0.0012855100000000, -0.0010858300000000 ] - [ -0.0013701400000000, 0.0012937500000000, -0.0011978600000000 ] - [ -0.0013699700000000, 0.0012918000000000, -0.0011976200000000 ] - [ -0.0011857500000000, 0.0012239700000000, -0.0010882000000000 ] - [ -0.0012832800000000, 0.0005121300000000, -0.0009382500000000 ] - [ -0.0013931900000000, -0.0002788700000000, -0.0003177800000000 ] - [ -0.0013932500000000, -0.0003091500000000, -0.0002901500000000 ] - [ -0.0009337300000000, -0.0005104200000000, -0.0010451800000000 ] - [ -0.0009312900000000, -0.0005031700000000, -0.0010398600000000 ] - [ -0.0015031700000000, 0.0002610600000000, -0.0003535400000000 ] - [ -0.0013659900000000, 0.0002919700000000, -0.0003013300000000 ] - [ -0.0022740200000000, -0.0011939100000000, -0.0005981000000000 ] - [ -0.0022816200000000, -0.0011743800000000, -0.0004740400000000 ] - [ -0.0019782600000000, -0.0007589300000000, 0.0010524700000000 ] - [ -0.0019809200000000, -0.0007609600000000, 0.0010635200000000 ] - [ -0.0022843400000000, 0.0011744600000000, -0.0005156800000000 ] - [ -0.0022925600000000, 0.0011986000000000, -0.0005290900000000 ] - [ -0.0030608700000000, 0.0014697500000000, 0.0036660300000000 ] - [ -0.0019865000000000, 0.0007663600000000, 0.0011130600000000 ] - [ -0.0004953900000000, 0.0009996400000000, 0.0001746400000000 ] - [ -0.0004924600000000, 0.0010028000000000, 0.0001763100000000 ] - [ -0.0013647700000000, 0.0022902200000000, 0.0012822200000000 ] - [ -0.0005526300000000, -0.0012958300000000, 0.0002430500000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0022411500000000, 0.0031056300000000, 0.0052658300000000 ] - [ 0.0008001000000000, -0.0011025100000000, 0.0017456700000000 ] - [ 0.0003643900000000, -0.0004814100000000, -0.0001182900000000 ] - [ 0.0003799000000000, -0.0004944200000000, -0.0002475600000000 ] - [ 0.0006556000000000, 0.0004803300000000, 0.0006750700000000 ] - [ 0.0006548000000000, 0.0005139300000000, 0.0006891700000000 ] - [ 0.0003507600000000, 0.0006348100000000, 0.0000497400000000 ] - [ 0.0002740900000000, 0.0001206300000000, -0.0003428700000000 ] - [ -0.0006538900000000, -0.0009136000000000, -0.0003744700000000 ] - [ -0.0006521100000000, -0.0009150100000000, -0.0003439500000000 ] - [ -0.0004432900000000, -0.0007990400000000, 0.0005334700000000 ] - [ -0.0002763300000000, -0.0008467500000000, 0.0012049100000000 ] - [ -0.0003104600000000, -0.0000750400000000, -0.0006519900000000 ] - [ -0.0008233700000000, 0.0012091600000000, 0.0008961800000000 ] - [ -0.0002246200000000, 0.0007137000000000, 0.0007939000000000 ] - [ -0.0002430700000000, 0.0008129000000000, 0.0009023800000000 ] - [ 0.0035263800000000, 0.0022894400000000, -0.0009304000000000 ] - [ 0.0035286700000000, 0.0021403300000000, -0.0009282600000000 ] - [ -0.0015010700000000, 0.0042868900000000, -0.0019015800000000 ] - [ 0.0022098500000000, -0.0007571600000000, 0.0010001600000000 ] - [ 0.0035003200000000, -0.0019556800000000, -0.0012329000000000 ] - [ 0.0035457000000000, -0.0023734900000000, -0.0006745800000000 ] - [ 0.0023369000000000, -0.0001056200000000, 0.0004981300000000 ] - [ 0.0023376000000000, -0.0001365500000000, 0.0005257400000000 ] - [ -0.0011906700000000, 0.0006606600000000, 0.0002933600000000 ] - [ -0.0012160700000000, -0.0005942500000000, 0.0001260100000000 ] - [ 0.0004246200000000, -0.0023622000000000, -0.0016560600000000 ] - [ 0.0004263100000000, -0.0024274700000000, -0.0016375500000000 ] - [ -0.0013123300000000, 0.0002631200000000, 0.0000874600000000 ] - [ -0.0013173900000000, 0.0000977200000000, 0.0002313800000000 ] - [ 0.0017994400000000, 0.0119917400000000, 0.0075556300000000 ] - [ 0.0004789600000000, 0.0013133200000000, -0.0003032100000000 ] - [ -0.0049791100000000, 0.0009682400000000, -0.0025927100000000 ] - [ -0.0052925400000000, 0.0016323500000000, -0.0039513700000000 ] - [ -0.0009643500000000, 0.0005777900000000, -0.0001649200000000 ] - [ -0.0009034300000000, 0.0006838600000000, -0.0004318700000000 ] - [ 0.0010047700000000, 0.0012836900000000, 0.0024803400000000 ] - [ 0.0010063100000000, 0.0013128400000000, 0.0024379900000000 ] - [ -0.0052656600000000, -0.0014060100000000, -0.0037388400000000 ] - [ -0.0052626400000000, -0.0014024000000000, -0.0037896400000000 ] - [ -0.0009179300000000, -0.0006575300000000, -0.0003190300000000 ] - [ -0.0009203100000000, -0.0006161800000000, -0.0004510400000000 ] - [ 0.0082015000000000, -0.0250603100000000, -0.0151858800000000 ] - [ -0.0007509100000000, 0.0018426100000000, -0.0021178900000000 ] - [ 0.0003364400000000, -0.0005770900000000, 0.0029157200000000 ] - [ 0.0010139100000000, -0.0013463400000000, 0.0022007800000000 ] - [ 0.0038024500000000, 0.0003787700000000, 0.0021521100000000 ] - [ 0.0039381700000000, 0.0008817100000000, 0.0034519200000000 ] - [ -0.0006323600000000, -0.0015592000000000, -0.0019829100000000 ] - [ -0.0006325400000000, -0.0015477200000000, -0.0019937200000000 ] - [ 0.0012661800000000, -0.0005454100000000, 0.0016459400000000 ] - [ 0.0012870900000000, -0.0004595800000000, 0.0016729800000000 ] - [ 0.0037075900000000, -0.0003591200000000, 0.0031914100000000 ] - [ 0.0036962500000000, -0.0003268500000000, 0.0031670300000000 ] - [ 0.0013444300000000, 0.0003831100000000, 0.0016759500000000 ] - [ 0.0012355600000000, 0.0005851700000000, 0.0016217900000000 ] - [ -0.0007781600000000, 0.0000025500000000, -0.0024741500000000 ] - [ -0.0006926200000000, 0.0001886800000000, -0.0023277800000000 ] - [ -0.0026028700000000, -0.0007138100000000, -0.0007534200000000 ] - [ -0.0025954200000000, -0.0006853400000000, -0.0007319700000000 ] - [ -0.0007287000000000, -0.0001408300000000, -0.0023672600000000 ] - [ -0.0007916400000000, -0.0000156200000000, -0.0023351300000000 ] - [ -0.0028358800000000, -0.0003034100000000, -0.0019786500000000 ] - [ -0.0028854300000000, 0.0012252900000000, -0.0009850300000000 ] - [ 0.0016518400000000, 0.0007717500000000, 0.0009537500000000 ] - [ 0.0016479600000000, 0.0007782700000000, 0.0009504100000000 ] - [ 0.0010678000000000, -0.0004489900000000, 0.0001095800000000 ] - [ 0.0013617900000000, 0.0001987900000000, -0.0001511600000000 ] - [ 0.0013552900000000, -0.0004988500000000, 0.0000072300000000 ] - [ 0.0013099600000000, -0.0004165900000000, -0.0000624900000000 ] - [ 0.0031718800000000, -0.0012478000000000, 0.0030756500000000 ] - [ 0.0031687900000000, -0.0012305600000000, 0.0030534000000000 ] - [ 0.0038731600000000, 0.0019462500000000, 0.0008597400000000 ] - [ 0.0017740900000000, -0.0002707700000000, 0.0001700200000000 ] - [ 0.0014283900000000, -0.0000011600000000, 0.0000821500000000 ] - [ 0.0014193500000000, -0.0000012600000000, 0.0000289800000000 ] - [ 0.0012878900000000, 0.0004614000000000, 0.0000526500000000 ] - [ 0.0013411600000000, 0.0004580100000000, -0.0000807100000000 ] - [ 0.0039157200000000, 0.0014610900000000, 0.0035302600000000 ] - [ 0.0031021000000000, 0.0012164100000000, 0.0027734400000000 ] - [ -0.0017219900000000, -0.0017225600000000, -0.0014076700000000 ] - [ -0.0012961600000000, -0.0006670500000000, -0.0016470000000000 ] - [ -0.0013605800000000, 0.0013265000000000, -0.0010649700000000 ] - [ -0.0013617500000000, 0.0013260500000000, -0.0010681700000000 ] - [ -0.0008344000000000, 0.0005454300000000, -0.0012574500000000 ] - [ -0.0018877500000000, 0.0009708800000000, -0.0008034500000000 ] - [ -0.0013795200000000, -0.0003061900000000, -0.0002366400000000 ] - [ -0.0013935900000000, -0.0002752900000000, -0.0001631500000000 ] - [ -0.0009518800000000, -0.0004910000000000, -0.0009413400000000 ] - [ -0.0009491600000000, -0.0004625700000000, -0.0009272700000000 ] - [ -0.0014685800000000, 0.0001264600000000, -0.0002542100000000 ] - [ -0.0014078900000000, 0.0005248300000000, -0.0001168600000000 ] - [ -0.0022512600000000, -0.0013608500000000, -0.0005222300000000 ] - [ -0.0023138700000000, -0.0010616900000000, -0.0004064100000000 ] - [ -0.0020110600000000, -0.0007789400000000, 0.0011511200000000 ] - [ -0.0020217400000000, -0.0007579900000000, 0.0011526600000000 ] - [ -0.0022915800000000, 0.0011444000000000, -0.0004225100000000 ] - [ -0.0022657900000000, 0.0012241100000000, -0.0004658700000000 ] - [ -0.0030358700000000, -0.0000522700000000, 0.0018466100000000 ] - [ -0.0017254800000000, 0.0011762700000000, 0.0009257900000000 ] - [ -0.0004790600000000, 0.0009842700000000, 0.0003020500000000 ] - [ -0.0004775000000000, 0.0009966100000000, 0.0002889800000000 ] - [ -0.0043134100000000, 0.0055809200000000, 0.0013739400000000 ] - [ -0.0002740300000000, 0.0003156700000000, -0.0003600900000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0036616600000000, -0.0041760600000000, -0.0036377200000000 ] - [ 0.0005174500000000, 0.0001271700000000, 0.0000104900000000 ] - [ 0.0003280200000000, -0.0004885100000000, 0.0000925200000000 ] - [ 0.0003126600000000, -0.0004769100000000, 0.0002226200000000 ] - [ 0.0006612400000000, 0.0005015800000000, 0.0010772400000000 ] - [ 0.0006619300000000, 0.0004676900000000, 0.0010632600000000 ] - [ 0.0003410700000000, 0.0003341100000000, -0.0000746100000000 ] - [ 0.0004192600000000, 0.0008505000000000, 0.0003164100000000 ] - [ -0.0006411900000000, -0.0008972400000000, -0.0000131600000000 ] - [ -0.0006430000000000, -0.0008954100000000, -0.0000438200000000 ] - [ -0.0000247200000000, -0.0007353600000000, 0.0015013800000000 ] - [ -0.0001910600000000, -0.0006830200000000, 0.0008261100000000 ] - [ -0.0009840700000000, 0.0018888700000000, 0.0002632800000000 ] - [ -0.0004703100000000, 0.0005954500000000, -0.0012840400000000 ] - [ -0.0002434100000000, 0.0008186800000000, 0.0012384400000000 ] - [ -0.0002247800000000, 0.0007192500000000, 0.0011301500000000 ] - [ 0.0035667400000000, 0.0021138900000000, -0.0005755100000000 ] - [ 0.0035645000000000, 0.0022637300000000, -0.0005766200000000 ] - [ 0.0061287400000000, -0.0040631800000000, 0.0032666800000000 ] - [ 0.0024686700000000, 0.0009862400000000, 0.0004118800000000 ] - [ 0.0035920600000000, -0.0024466000000000, -0.0002715700000000 ] - [ 0.0035474400000000, -0.0020307900000000, -0.0008322200000000 ] - [ 0.0023415100000000, -0.0001197300000000, 0.0009114600000000 ] - [ 0.0023409200000000, -0.0000888000000000, 0.0008837600000000 ] - [ -0.0014462000000000, -0.0010183300000000, 0.0004824500000000 ] - [ -0.0014208900000000, 0.0002438700000000, 0.0006573000000000 ] - [ 0.0004232300000000, -0.0024298800000000, -0.0011368700000000 ] - [ 0.0004215000000000, -0.0023643400000000, -0.0011551600000000 ] - [ -0.0013240500000000, 0.0000897500000000, 0.0006935700000000 ] - [ -0.0013192400000000, 0.0002548600000000, 0.0005490200000000 ] - [ -0.0009047600000000, -0.0069993900000000, -0.0099902400000000 ] - [ 0.0003672700000000, 0.0034806400000000, -0.0024946100000000 ] - [ -0.0055578700000000, 0.0018662400000000, -0.0051191500000000 ] - [ -0.0052456000000000, 0.0011927000000000, -0.0037562700000000 ] - [ -0.0008792300000000, 0.0006725700000000, -0.0007550100000000 ] - [ -0.0009405700000000, 0.0005655400000000, -0.0004878400000000 ] - [ 0.0010130600000000, 0.0013539200000000, 0.0022486300000000 ] - [ 0.0010116900000000, 0.0013243300000000, 0.0022910800000000 ] - [ -0.0052723700000000, -0.0014207600000000, -0.0039688500000000 ] - [ -0.0052754800000000, -0.0014243100000000, -0.0039178800000000 ] - [ -0.0009262200000000, -0.0005926100000000, -0.0006006200000000 ] - [ -0.0009236200000000, -0.0006334700000000, -0.0004682100000000 ] - [ -0.0095545600000000, 0.0277938000000000, 0.0107894400000000 ] - [ -0.0005345600000000, 0.0011682800000000, -0.0020926000000000 ] - [ 0.0016829200000000, -0.0020596500000000, 0.0018059400000000 ] - [ 0.0010040600000000, -0.0012893300000000, 0.0025287500000000 ] - [ 0.0036273800000000, 0.0002356000000000, 0.0039936700000000 ] - [ 0.0034926600000000, -0.0002722700000000, 0.0026931100000000 ] - [ -0.0006537400000000, -0.0014536200000000, -0.0022264200000000 ] - [ -0.0006534600000000, -0.0014651700000000, -0.0022155000000000 ] - [ 0.0012684300000000, -0.0004162200000000, 0.0015164500000000 ] - [ 0.0012474600000000, -0.0005021500000000, 0.0014885600000000 ] - [ 0.0037237400000000, -0.0002521300000000, 0.0029559900000000 ] - [ 0.0037348600000000, -0.0002846100000000, 0.0029807900000000 ] - [ 0.0011901200000000, 0.0005784500000000, 0.0014858400000000 ] - [ 0.0012992100000000, 0.0003766400000000, 0.0015406800000000 ] - [ -0.0007382000000000, 0.0001826000000000, -0.0023417800000000 ] - [ -0.0008229900000000, -0.0000029200000000, -0.0024900700000000 ] - [ -0.0026032800000000, -0.0007546500000000, -0.0008864800000000 ] - [ -0.0026107300000000, -0.0007831200000000, -0.0009080800000000 ] - [ -0.0007871000000000, -0.0000445600000000, -0.0024501500000000 ] - [ -0.0007241000000000, -0.0001698900000000, -0.0024821500000000 ] - [ -0.0023760200000000, 0.0017795100000000, 0.0003271100000000 ] - [ -0.0023210800000000, 0.0002430400000000, -0.0006546800000000 ] - [ 0.0016757000000000, 0.0007123500000000, 0.0007629900000000 ] - [ 0.0016796400000000, 0.0007057400000000, 0.0007662700000000 ] - [ 0.0017334600000000, 0.0004802200000000, -0.0001761300000000 ] - [ 0.0014380200000000, -0.0001730300000000, 0.0000848800000000 ] - [ 0.0013393100000000, -0.0004273000000000, -0.0001867600000000 ] - [ 0.0013852300000000, -0.0005106500000000, -0.0001176900000000 ] - [ 0.0031142800000000, -0.0012173800000000, 0.0028833000000000 ] - [ 0.0031172500000000, -0.0012348600000000, 0.0029054100000000 ] - [ -0.0005113300000000, -0.0033942000000000, 0.0008652000000000 ] - [ 0.0015534800000000, -0.0012146700000000, 0.0015489200000000 ] - [ 0.0013711300000000, -0.0000260500000000, -0.0001484100000000 ] - [ 0.0013802100000000, -0.0000258900000000, -0.0000951200000000 ] - [ 0.0014072500000000, 0.0004649900000000, -0.0002325100000000 ] - [ 0.0013537500000000, 0.0004689500000000, -0.0000989200000000 ] - [ 0.0023743600000000, 0.0010059400000000, 0.0024292400000000 ] - [ 0.0031849600000000, 0.0012499300000000, 0.0031866800000000 ] - [ -0.0010107700000000, -0.0008608500000000, -0.0009397000000000 ] - [ -0.0014413800000000, -0.0019306000000000, -0.0007017600000000 ] - [ -0.0013759100000000, 0.0012709000000000, -0.0012820000000000 ] - [ -0.0013747700000000, 0.0012714500000000, -0.0012788200000000 ] - [ -0.0010342400000000, 0.0004474200000000, -0.0007846400000000 ] - [ 0.0000245500000000, 0.0000275200000000, -0.0012440800000000 ] - [ -0.0014038600000000, -0.0002820900000000, -0.0003307800000000 ] - [ -0.0013897500000000, -0.0003124900000000, -0.0004048400000000 ] - [ -0.0009195700000000, -0.0005101100000000, -0.0011035500000000 ] - [ -0.0009223100000000, -0.0005386100000000, -0.0011175200000000 ] - [ -0.0013149000000000, 0.0004624900000000, -0.0003142600000000 ] - [ -0.0013752500000000, 0.0000630600000000, -0.0004501500000000 ] - [ -0.0023332400000000, -0.0010154500000000, -0.0005036800000000 ] - [ -0.0022708300000000, -0.0013157600000000, -0.0006214000000000 ] - [ -0.0019624800000000, -0.0007440900000000, 0.0009998000000000 ] - [ -0.0019517400000000, -0.0007650000000000, 0.0009981100000000 ] - [ -0.0022932000000000, 0.0012327700000000, -0.0006048700000000 ] - [ -0.0023188400000000, 0.0011530600000000, -0.0005611800000000 ] - [ -0.0009311700000000, 0.0015703600000000, 0.0002925300000000 ] - [ -0.0022484400000000, 0.0003465600000000, 0.0012261200000000 ] - [ -0.0005031700000000, 0.0010141900000000, 0.0000932800000000 ] - [ -0.0005048000000000, 0.0010018200000000, 0.0001063700000000 ] - [ 0.0032540500000000, -0.0074439300000000, -0.0009470900000000 ] - [ -0.0007176400000000, -0.0023412000000000, 0.0007605700000000 ]- atom: 43 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ -0.0022188000000000, 0.0036165300000000, 0.0061896200000000 ] - [ 0.0007768600000000, -0.0004180200000000, 0.0022815200000000 ] - [ 0.0003507700000000, -0.0003680000000000, -0.0004056500000000 ] - [ 0.0004085100000000, -0.0005744100000000, -0.0004791000000000 ] - [ 0.0006492400000000, 0.0004807300000000, 0.0004002400000000 ] - [ 0.0006519700000000, 0.0005343900000000, 0.0004016000000000 ] - [ 0.0006575100000000, 0.0011623200000000, -0.0005574600000000 ] - [ 0.0002465800000000, -0.0000174700000000, -0.0003295500000000 ] - [ -0.0006605700000000, -0.0009422100000000, -0.0006117500000000 ] - [ -0.0006564900000000, -0.0009098800000000, -0.0005886100000000 ] - [ -0.0005557100000000, -0.0011124300000000, 0.0004508400000000 ] - [ -0.0002195800000000, -0.0005662100000000, 0.0009597300000000 ] - [ -0.0004929600000000, 0.0000194300000000, 0.0003071800000000 ] - [ -0.0008418200000000, 0.0018273100000000, 0.0012956400000000 ] - [ -0.0002132300000000, 0.0006603600000000, 0.0006209400000000 ] - [ -0.0002361200000000, 0.0008602200000000, 0.0005731100000000 ] - [ 0.0034988000000000, 0.0022712200000000, -0.0012706600000000 ] - [ 0.0035309000000000, 0.0021543900000000, -0.0011088100000000 ] - [ 0.0064838500000000, -0.0009308600000000, 0.0064470100000000 ] - [ 0.0023020300000000, -0.0004696800000000, 0.0015339400000000 ] - [ 0.0034664900000000, -0.0023259700000000, -0.0016793800000000 ] - [ 0.0035074800000000, -0.0021975700000000, -0.0006796500000000 ] - [ 0.0023367800000000, -0.0001320900000000, 0.0002001100000000 ] - [ 0.0023335300000000, -0.0001377600000000, 0.0002638100000000 ] - [ -0.0010824500000000, 0.0003911700000000, -0.0006201000000000 ] - [ -0.0012460000000000, -0.0004887000000000, 0.0001435200000000 ] - [ 0.0004279400000000, -0.0023697500000000, -0.0020414400000000 ] - [ 0.0004211600000000, -0.0024245500000000, -0.0019801500000000 ] - [ -0.0013402300000000, 0.0001790700000000, -0.0003229900000000 ] - [ -0.0013007100000000, 0.0001851600000000, -0.0000443200000000 ] - [ 0.0026269400000000, 0.0104336300000000, 0.0102389800000000 ] - [ 0.0004415600000000, 0.0019619500000000, -0.0000518600000000 ] - [ -0.0049733200000000, 0.0014095400000000, -0.0018250900000000 ] - [ -0.0053030700000000, 0.0014680900000000, -0.0039668400000000 ] - [ -0.0009410500000000, 0.0006463100000000, 0.0000371900000000 ] - [ -0.0009229600000000, 0.0006459800000000, -0.0003868500000000 ] - [ 0.0009987800000000, 0.0012659300000000, 0.0026187700000000 ] - [ 0.0010068000000000, 0.0012759300000000, 0.0025557100000000 ] - [ -0.0052629300000000, -0.0013783000000000, -0.0036117100000000 ] - [ -0.0052484000000000, -0.0014033900000000, -0.0036689900000000 ] - [ -0.0008970600000000, -0.0005904100000000, -0.0002341800000000 ] - [ -0.0009618100000000, -0.0007276400000000, -0.0003110300000000 ] - [ -0.0040155200000000, -0.0119518100000000, -0.0355250400000000 ] - [ -0.0007133500000000, 0.0014982300000000, -0.0025289600000000 ] - [ -0.0000835200000000, -0.0003792500000000, 0.0031777000000000 ] - [ 0.0010254600000000, -0.0015160700000000, 0.0020774500000000 ] - [ 0.0034610000000000, -0.0008900600000000, 0.0038300400000000 ] - [ 0.0039568200000000, 0.0007813100000000, 0.0032501500000000 ] - [ -0.0006158000000000, -0.0016278800000000, -0.0018089000000000 ] - [ -0.0006178900000000, -0.0016171600000000, -0.0018300900000000 ] - [ 0.0012669500000000, -0.0005949600000000, 0.0018284700000000 ] - [ 0.0013029200000000, -0.0004718700000000, 0.0017394500000000 ] - [ 0.0036862500000000, -0.0004160300000000, 0.0033626400000000 ] - [ 0.0036772100000000, -0.0003803800000000, 0.0033036300000000 ] - [ 0.0013450600000000, 0.0004740700000000, 0.0018319900000000 ] - [ 0.0012451400000000, 0.0005600900000000, 0.0016348500000000 ] - [ -0.0009398800000000, -0.0001581900000000, -0.0022276200000000 ] - [ -0.0006440700000000, 0.0002658100000000, -0.0023311000000000 ] - [ -0.0026021300000000, -0.0006689600000000, -0.0006356700000000 ] - [ -0.0025861300000000, -0.0006315300000000, -0.0006246600000000 ] - [ -0.0007327600000000, -0.0001046200000000, -0.0022566600000000 ] - [ -0.0007914800000000, -0.0000019900000000, -0.0022867400000000 ] - [ 0.0012172400000000, -0.0015252100000000, 0.0048370100000000 ] - [ -0.0027687400000000, 0.0011177600000000, -0.0011150400000000 ] - [ 0.0016289600000000, 0.0008242100000000, 0.0010980400000000 ] - [ 0.0016303700000000, 0.0008224800000000, 0.0010797600000000 ] - [ 0.0015335900000000, -0.0000215300000000, 0.0002448800000000 ] - [ 0.0013726200000000, 0.0000871200000000, -0.0001548300000000 ] - [ 0.0012722000000000, -0.0004419600000000, 0.0001433000000000 ] - [ 0.0013097000000000, -0.0004596100000000, -0.0000136700000000 ] - [ 0.0032184700000000, -0.0012456800000000, 0.0032104300000000 ] - [ 0.0032032300000000, -0.0012507600000000, 0.0031678000000000 ] - [ 0.0028209400000000, 0.0006499300000000, -0.0002969600000000 ] - [ 0.0017473700000000, -0.0003063200000000, 0.0000211800000000 ] - [ 0.0014703200000000, 0.0000283100000000, 0.0002084800000000 ] - [ 0.0014455200000000, 0.0000030700000000, 0.0001476600000000 ] - [ 0.0012231200000000, 0.0005170200000000, 0.0001467000000000 ] - [ 0.0013271400000000, 0.0003703100000000, 0.0000221900000000 ] - [ 0.0039539000000000, 0.0015808200000000, 0.0034769800000000 ] - [ 0.0030713800000000, 0.0010756600000000, 0.0027072000000000 ] - [ -0.0014246400000000, -0.0010751100000000, -0.0025419000000000 ] - [ -0.0013650500000000, -0.0009133100000000, -0.0018563500000000 ] - [ -0.0013513000000000, 0.0013692700000000, -0.0009080200000000 ] - [ -0.0013500100000000, 0.0013633700000000, -0.0009156800000000 ] - [ -0.0006238400000000, -0.0002636700000000, -0.0012507700000000 ] - [ -0.0018315100000000, 0.0010861200000000, -0.0009962000000000 ] - [ -0.0013833000000000, -0.0003497400000000, -0.0000835900000000 ] - [ -0.0013882500000000, -0.0002310000000000, -0.0000564000000000 ] - [ -0.0009763300000000, -0.0004552500000000, -0.0007976300000000 ] - [ -0.0009697300000000, -0.0004287300000000, -0.0008116300000000 ] - [ -0.0013289800000000, -0.0000802800000000, 0.0000974600000000 ] - [ -0.0014202600000000, 0.0005754900000000, -0.0001538500000000 ] - [ -0.0021980300000000, -0.0013473300000000, -0.0003268800000000 ] - [ -0.0023230800000000, -0.0010556200000000, -0.0004028700000000 ] - [ -0.0020571400000000, -0.0007928000000000, 0.0012780100000000 ] - [ -0.0020619100000000, -0.0007640100000000, 0.0012505200000000 ] - [ -0.0022650900000000, 0.0011490800000000, -0.0002735500000000 ] - [ -0.0022585700000000, 0.0011961000000000, -0.0004045300000000 ] - [ -0.0052020900000000, 0.0013039000000000, 0.0054150700000000 ] - [ -0.0017981700000000, 0.0009779300000000, 0.0008359900000000 ] - [ -0.0004574700000000, 0.0009739700000000, 0.0004492900000000 ] - [ -0.0004605500000000, 0.0009829400000000, 0.0004224000000000 ] - [ -0.0018298000000000, 0.0007032200000000, -0.0010426700000000 ] - [ -0.0005256800000000, -0.0008832700000000, -0.0005815900000000 ]- atom: 43 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0036473600000000, -0.0047434200000000, -0.0045335000000000 ] - [ 0.0005409800000000, -0.0005633600000000, -0.0005322000000000 ] - [ 0.0003420100000000, -0.0006030000000000, 0.0003800900000000 ] - [ 0.0002838300000000, -0.0003961000000000, 0.0004537800000000 ] - [ 0.0006683200000000, 0.0005007100000000, 0.0013520900000000 ] - [ 0.0006655900000000, 0.0004474100000000, 0.0013508600000000 ] - [ 0.0000389200000000, -0.0001876400000000, 0.0005324700000000 ] - [ 0.0004454300000000, 0.0009854400000000, 0.0003049500000000 ] - [ -0.0006344600000000, -0.0008689900000000, 0.0002239200000000 ] - [ -0.0006386500000000, -0.0009013700000000, 0.0002007400000000 ] - [ 0.0000900800000000, -0.0004191600000000, 0.0015815400000000 ] - [ -0.0002485200000000, -0.0009662300000000, 0.0010724300000000 ] - [ -0.0008015200000000, 0.0017905000000000, -0.0006875800000000 ] - [ -0.0004587100000000, -0.0000170000000000, -0.0016700500000000 ] - [ -0.0002546600000000, 0.0008711100000000, 0.0014118300000000 ] - [ -0.0002318500000000, 0.0006725200000000, 0.0014591100000000 ] - [ 0.0035945700000000, 0.0021317800000000, -0.0002346800000000 ] - [ 0.0035621200000000, 0.0022491900000000, -0.0003968000000000 ] - [ -0.0019479700000000, 0.0012349000000000, -0.0051379100000000 ] - [ 0.0023756400000000, 0.0006947700000000, -0.0001283700000000 ] - [ 0.0036245300000000, -0.0020779700000000, 0.0001726100000000 ] - [ 0.0035851700000000, -0.0022060900000000, -0.0008225000000000 ] - [ 0.0023412600000000, -0.0000935800000000, 0.0012093500000000 ] - [ 0.0023445400000000, -0.0000878800000000, 0.0011459900000000 ] - [ -0.0015569700000000, -0.0007463100000000, 0.0014008400000000 ] - [ -0.0013906000000000, 0.0001362900000000, 0.0006359400000000 ] - [ 0.0004197200000000, -0.0024221100000000, -0.0007517100000000 ] - [ 0.0004265800000000, -0.0023670800000000, -0.0008130300000000 ] - [ -0.0012964300000000, 0.0001736800000000, 0.0011031500000000 ] - [ -0.0013357500000000, 0.0001676300000000, 0.0008256400000000 ] - [ -0.0016906500000000, -0.0052197100000000, -0.0126165700000000 ] - [ 0.0004078500000000, 0.0028244200000000, -0.0027333300000000 ] - [ -0.0055706500000000, 0.0014104400000000, -0.0059254100000000 ] - [ -0.0052348600000000, 0.0013587900000000, -0.0037395800000000 ] - [ -0.0009025600000000, 0.0006039400000000, -0.0009590200000000 ] - [ -0.0009207100000000, 0.0006041600000000, -0.0005321300000000 ] - [ 0.0010190000000000, 0.0013717600000000, 0.0021103700000000 ] - [ 0.0010110600000000, 0.0013614900000000, 0.0021737900000000 ] - [ -0.0052751300000000, -0.0014485900000000, -0.0040952300000000 ] - [ -0.0052896100000000, -0.0014237100000000, -0.0040382900000000 ] - [ -0.0009464100000000, -0.0006595100000000, -0.0006844700000000 ] - [ -0.0008823100000000, -0.0005233600000000, -0.0006080200000000 ] - [ 0.0026566200000000, 0.0146247100000000, 0.0309499600000000 ] - [ -0.0005733200000000, 0.0015153500000000, -0.0016794300000000 ] - [ 0.0020930900000000, -0.0022561100000000, 0.0015577300000000 ] - [ 0.0009926600000000, -0.0011213800000000, 0.0026490500000000 ] - [ 0.0039702400000000, 0.0015168800000000, 0.0023044800000000 ] - [ 0.0034742800000000, -0.0001682900000000, 0.0028994900000000 ] - [ -0.0006702400000000, -0.0013848400000000, -0.0024000100000000 ] - [ -0.0006681000000000, -0.0013956900000000, -0.0023787300000000 ] - [ 0.0012679600000000, -0.0003664000000000, 0.0013336200000000 ] - [ 0.0012318600000000, -0.0004898500000000, 0.0014228900000000 ] - [ 0.0037451600000000, -0.0001958400000000, 0.0027856900000000 ] - [ 0.0037538700000000, -0.0002314500000000, 0.0028446400000000 ] - [ 0.0011900600000000, 0.0004864900000000, 0.0013286300000000 ] - [ 0.0012894800000000, 0.0004014400000000, 0.0015264100000000 ] - [ -0.0005750600000000, 0.0003440000000000, -0.0025893400000000 ] - [ -0.0008719100000000, -0.0000809900000000, -0.0024855400000000 ] - [ -0.0026038100000000, -0.0007996400000000, -0.0010040900000000 ] - [ -0.0026199300000000, -0.0008371800000000, -0.0010151600000000 ] - [ -0.0007828600000000, -0.0000809400000000, -0.0025603600000000 ] - [ -0.0007243800000000, -0.0001830700000000, -0.0025305300000000 ] - [ -0.0063453600000000, 0.0029634900000000, -0.0063644900000000 ] - [ -0.0024374100000000, 0.0003522400000000, -0.0005269700000000 ] - [ 0.0016987200000000, 0.0006597100000000, 0.0006186300000000 ] - [ 0.0016973200000000, 0.0006614700000000, 0.0006369300000000 ] - [ 0.0012651500000000, 0.0000478000000000, -0.0003078300000000 ] - [ 0.0014275000000000, -0.0000599300000000, 0.0000898100000000 ] - [ 0.0014226000000000, -0.0004846000000000, -0.0003227800000000 ] - [ 0.0013849900000000, -0.0004671500000000, -0.0001657800000000 ] - [ 0.0030679800000000, -0.0012197900000000, 0.0027488200000000 ] - [ 0.0030831900000000, -0.0012147300000000, 0.0027914000000000 ] - [ 0.0005019200000000, -0.0021422500000000, 0.0020028000000000 ] - [ 0.0015801400000000, -0.0011747100000000, 0.0016933800000000 ] - [ 0.0013295200000000, -0.0000555900000000, -0.0002740400000000 ] - [ 0.0013541400000000, -0.0000305600000000, -0.0002134900000000 ] - [ 0.0014711100000000, 0.0004098700000000, -0.0003258500000000 ] - [ 0.0013678800000000, 0.0005556900000000, -0.0002020900000000 ] - [ 0.0023368000000000, 0.0008836800000000, 0.0024848400000000 ] - [ 0.0032145400000000, 0.0013896500000000, 0.0032496000000000 ] - [ -0.0013136400000000, -0.0015173900000000, 0.0002000100000000 ] - [ -0.0013715300000000, -0.0016844000000000, -0.0004898800000000 ] - [ -0.0013850700000000, 0.0012282500000000, -0.0014384400000000 ] - [ -0.0013863500000000, 0.0012340900000000, -0.0014308600000000 ] - [ -0.0012481100000000, 0.0012672500000000, -0.0007937200000000 ] - [ -0.0000357500000000, -0.0000867600000000, -0.0010485900000000 ] - [ -0.0013997800000000, -0.0002382700000000, -0.0004837500000000 ] - [ -0.0013949000000000, -0.0003572400000000, -0.0005110700000000 ] - [ -0.0008951200000000, -0.0005463200000000, -0.0012467300000000 ] - [ -0.0009016400000000, -0.0005727000000000, -0.0012327800000000 ] - [ -0.0014530200000000, 0.0006656300000000, -0.0006635800000000 ] - [ -0.0013631700000000, 0.0000139000000000, -0.0004144300000000 ] - [ -0.0023862400000000, -0.0010298500000000, -0.0006990000000000 ] - [ -0.0022610500000000, -0.0013216700000000, -0.0006239000000000 ] - [ -0.0019164100000000, -0.0007301900000000, 0.0008727500000000 ] - [ -0.0019115900000000, -0.0007590300000000, 0.0009003300000000 ] - [ -0.0023189700000000, 0.0012276700000000, -0.0007529800000000 ] - [ -0.0023256100000000, 0.0011808500000000, -0.0006228800000000 ] - [ 0.0011712400000000, 0.0002395400000000, -0.0031829600000000 ] - [ -0.0021744000000000, 0.0005458000000000, 0.0013125700000000 ] - [ -0.0005248800000000, 0.0010244700000000, -0.0000540300000000 ] - [ -0.0005218400000000, 0.0010155100000000, -0.0000271100000000 ] - [ 0.0008515800000000, -0.0027118000000000, 0.0014232600000000 ] - [ -0.0004557400000000, -0.0011076200000000, 0.0009743200000000 ]- atom: 47 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0008154100000000, -0.0006646700000000, 0.0005142700000000 ] - [ 0.0020433700000000, 0.0034281300000000, 0.0024250300000000 ] - [ 0.0004875900000000, -0.0006455300000000, 0.0004125300000000 ] - [ 0.0003574500000000, -0.0005132300000000, -0.0000011600000000 ] - [ 0.0006617700000000, 0.0004945900000000, 0.0009369900000000 ] - [ 0.0006579000000000, 0.0004827000000000, 0.0009324800000000 ] - [ 0.0003345500000000, 0.0004438000000000, 0.0000746800000000 ] - [ 0.0003669500000000, 0.0005156400000000, 0.0000137500000000 ] - [ -0.0006477200000000, -0.0009220000000000, -0.0001589100000000 ] - [ -0.0006470000000000, -0.0008884500000000, -0.0001244300000000 ] - [ -0.0006578900000000, -0.0007009300000000, 0.0010078800000000 ] - [ -0.0008027100000000, -0.0006288400000000, 0.0007471100000000 ] - [ -0.0007929900000000, 0.0010636100000000, -0.0002355100000000 ] - [ -0.0005440000000000, 0.0006579900000000, 0.0000232700000000 ] - [ -0.0002379200000000, 0.0007732600000000, 0.0010610100000000 ] - [ -0.0002329200000000, 0.0007591500000000, 0.0010725100000000 ] - [ 0.0036170700000000, 0.0021542500000000, -0.0011434400000000 ] - [ 0.0035241300000000, 0.0021601700000000, -0.0007094200000000 ] - [ 0.0112433400000000, 0.0046611000000000, -0.0026588100000000 ] - [ 0.0022766100000000, -0.0000179400000000, 0.0006648200000000 ] - [ 0.0035206800000000, -0.0021766700000000, -0.0006669100000000 ] - [ 0.0035570900000000, -0.0022264600000000, -0.0007322800000000 ] - [ 0.0023367800000000, -0.0001051400000000, 0.0007627400000000 ] - [ 0.0023412600000000, -0.0001150000000000, 0.0007629700000000 ] - [ 0.0016798600000000, 0.0003637600000000, -0.0007643500000000 ] - [ -0.0012426700000000, -0.0003464700000000, 0.0002405600000000 ] - [ 0.0004375200000000, -0.0023472600000000, -0.0013391900000000 ] - [ 0.0004207900000000, -0.0024322500000000, -0.0013046000000000 ] - [ -0.0013123400000000, 0.0001857200000000, 0.0004737200000000 ] - [ -0.0013214200000000, 0.0001687600000000, 0.0004529000000000 ] - [ 0.0007070600000000, 0.0026323500000000, -0.0012057200000000 ] - [ 0.0003494900000000, 0.0022026500000000, -0.0015015400000000 ] - [ -0.0049810700000000, 0.0038157500000000, -0.0028339500000000 ] - [ -0.0052907100000000, 0.0010718700000000, -0.0037263400000000 ] - [ -0.0011183600000000, 0.0003304600000000, -0.0005604200000000 ] - [ -0.0009396600000000, 0.0006628900000000, -0.0004628800000000 ] - [ 0.0009887200000000, 0.0013280200000000, 0.0023709000000000 ] - [ 0.0009802600000000, 0.0013545800000000, 0.0023067400000000 ] - [ -0.0052701700000000, -0.0014185200000000, -0.0038818100000000 ] - [ -0.0052713600000000, -0.0014138200000000, -0.0038789800000000 ] - [ -0.0009222400000000, -0.0006279800000000, -0.0004852500000000 ] - [ -0.0009179000000000, -0.0006131400000000, -0.0004828800000000 ] - [ -0.0008812800000000, 0.0015948100000000, -0.0023694400000000 ] - [ -0.0007963800000000, 0.0017291400000000, -0.0018686400000000 ] - [ 0.0010195000000000, -0.0013593500000000, 0.0022839000000000 ] - [ 0.0009782900000000, -0.0012780400000000, 0.0023611200000000 ] - [ -0.0201002400000000, -0.0094974700000000, 0.0075350600000000 ] - [ 0.0036466100000000, 0.0004562600000000, 0.0030793900000000 ] - [ -0.0006509100000000, -0.0014982500000000, -0.0021344900000000 ] - [ -0.0006457800000000, -0.0014870500000000, -0.0021431300000000 ] - [ 0.0011434400000000, -0.0004843200000000, 0.0014797600000000 ] - [ 0.0012699500000000, -0.0004599500000000, 0.0015775300000000 ] - [ 0.0037197300000000, -0.0002948100000000, 0.0030418700000000 ] - [ 0.0037201300000000, -0.0002946900000000, 0.0030437900000000 ] - [ 0.0012646900000000, 0.0004673100000000, 0.0015364500000000 ] - [ 0.0012658800000000, 0.0004809700000000, 0.0015694300000000 ] - [ 0.0012211000000000, 0.0018376600000000, -0.0068686400000000 ] - [ -0.0007690300000000, 0.0001202600000000, -0.0023908700000000 ] - [ -0.0026075000000000, -0.0007854400000000, -0.0008792800000000 ] - [ -0.0026018300000000, -0.0007243600000000, -0.0008305500000000 ] - [ -0.0007591900000000, -0.0000964000000000, -0.0024289900000000 ] - [ -0.0007569300000000, -0.0000984700000000, -0.0024232200000000 ] - [ -0.0025972800000000, 0.0007572400000000, -0.0009406000000000 ] - [ -0.0025924100000000, 0.0007215400000000, -0.0007894600000000 ] - [ 0.0016668300000000, 0.0007323700000000, 0.0008376000000000 ] - [ 0.0016677500000000, 0.0007309600000000, 0.0008241200000000 ] - [ 0.0056175500000000, -0.0038568900000000, -0.0011748200000000 ] - [ 0.0014839100000000, 0.0000875600000000, -0.0000516900000000 ] - [ 0.0014009800000000, -0.0004693400000000, -0.0000012400000000 ] - [ 0.0013688700000000, -0.0003734400000000, -0.0000947400000000 ] - [ 0.0031695100000000, -0.0012302900000000, 0.0029820900000000 ] - [ 0.0031546800000000, -0.0012111200000000, 0.0029399100000000 ] - [ 0.0016518700000000, -0.0008468000000000, 0.0013373100000000 ] - [ 0.0017289900000000, -0.0006292800000000, 0.0008306300000000 ] - [ 0.0013913500000000, -0.0000194000000000, -0.0000590600000000 ] - [ 0.0013938800000000, -0.0000149500000000, -0.0000577300000000 ] - [ 0.0013539900000000, 0.0004587900000000, -0.0001071600000000 ] - [ 0.0013516500000000, 0.0004740300000000, -0.0001117800000000 ] - [ 0.0031299300000000, 0.0011960800000000, 0.0030148500000000 ] - [ 0.0031651300000000, 0.0012702300000000, 0.0029655600000000 ] - [ -0.0007438000000000, -0.0003579400000000, -0.0020195900000000 ] - [ -0.0010447100000000, -0.0012480600000000, -0.0009599700000000 ] - [ -0.0013680500000000, 0.0012853900000000, -0.0012110500000000 ] - [ -0.0013718100000000, 0.0012949200000000, -0.0012011200000000 ] - [ 0.0009419800000000, -0.0001700100000000, -0.0011000100000000 ] - [ -0.0009147800000000, 0.0004175700000000, -0.0008775500000000 ] - [ -0.0012283300000000, -0.0003781800000000, -0.0003681500000000 ] - [ -0.0014179500000000, -0.0002853800000000, -0.0003134500000000 ] - [ -0.0009305100000000, -0.0005069200000000, -0.0010485800000000 ] - [ -0.0009311700000000, -0.0005090300000000, -0.0010487200000000 ] - [ -0.0013950300000000, 0.0003078400000000, -0.0003301200000000 ] - [ -0.0013911400000000, 0.0002821600000000, -0.0002947900000000 ] - [ -0.0001685200000000, -0.0002022900000000, 0.0037634500000000 ] - [ -0.0022388800000000, -0.0011903700000000, -0.0004697300000000 ] - [ -0.0019964900000000, -0.0007966800000000, 0.0010787700000000 ] - [ -0.0019817400000000, -0.0007437400000000, 0.0010519500000000 ] - [ -0.0022946900000000, 0.0011887700000000, -0.0005384000000000 ] - [ -0.0022949400000000, 0.0011907200000000, -0.0005301100000000 ] - [ -0.0019915000000000, 0.0007311800000000, 0.0010166600000000 ] - [ -0.0019821200000000, 0.0007887300000000, 0.0011133500000000 ] - [ -0.0004952000000000, 0.0009980000000000, 0.0001743000000000 ] - [ -0.0004949400000000, 0.0010047100000000, 0.0001619400000000 ] - [ -0.0004842400000000, -0.0012161400000000, -0.0002021300000000 ] - [ -0.0005235000000000, -0.0008972700000000, 0.0002401000000000 ]- atom: 47 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0005039700000000, -0.0003174600000000, 0.0012439500000000 ] - [ -0.0007355200000000, -0.0043767800000000, -0.0006474100000000 ] - [ 0.0002059900000000, -0.0003239200000000, -0.0004381300000000 ] - [ 0.0003352600000000, -0.0004591300000000, -0.0000248000000000 ] - [ 0.0006551600000000, 0.0004872200000000, 0.0008146800000000 ] - [ 0.0006589700000000, 0.0004989600000000, 0.0008192900000000 ] - [ 0.0003580800000000, 0.0005273900000000, -0.0001009500000000 ] - [ 0.0003255300000000, 0.0004549100000000, -0.0000396900000000 ] - [ -0.0006474800000000, -0.0008892600000000, -0.0002296700000000 ] - [ -0.0006481700000000, -0.0009221000000000, -0.0002639300000000 ] - [ 0.0001879300000000, -0.0008329200000000, 0.0010273400000000 ] - [ 0.0003335800000000, -0.0009003400000000, 0.0012894900000000 ] - [ -0.0005014400000000, 0.0007461200000000, -0.0001526900000000 ] - [ -0.0007526500000000, 0.0011552400000000, -0.0004131600000000 ] - [ -0.0002300000000000, 0.0007587500000000, 0.0009712100000000 ] - [ -0.0002350500000000, 0.0007729800000000, 0.0009596300000000 ] - [ 0.0034748400000000, 0.0022498300000000, -0.0003626600000000 ] - [ 0.0035686400000000, 0.0022433700000000, -0.0007961500000000 ] - [ -0.0068666800000000, -0.0046180200000000, 0.0042262800000000 ] - [ 0.0024010800000000, 0.0002433000000000, 0.0007475900000000 ] - [ 0.0035722500000000, -0.0022270100000000, -0.0008397000000000 ] - [ 0.0035357200000000, -0.0021770500000000, -0.0007738400000000 ] - [ 0.0023413200000000, -0.0001204000000000, 0.0006461700000000 ] - [ 0.0023369400000000, -0.0001105600000000, 0.0006460800000000 ] - [ -0.0043184700000000, -0.0007164200000000, 0.0015501700000000 ] - [ -0.0013929700000000, -0.0000059300000000, 0.0005417200000000 ] - [ 0.0004102900000000, -0.0024449300000000, -0.0014549100000000 ] - [ 0.0004269700000000, -0.0023601200000000, -0.0014888100000000 ] - [ -0.0013241400000000, 0.0001674700000000, 0.0003060300000000 ] - [ -0.0013151600000000, 0.0001843500000000, 0.0003270900000000 ] - [ 0.0001398000000000, 0.0021603900000000, -0.0015884400000000 ] - [ 0.0004984000000000, 0.0025894900000000, -0.0012912000000000 ] - [ -0.0055465400000000, -0.0009867900000000, -0.0048737000000000 ] - [ -0.0052454300000000, 0.0017523900000000, -0.0039815100000000 ] - [ -0.0007240600000000, 0.0009213300000000, -0.0003588000000000 ] - [ -0.0009041800000000, 0.0005859900000000, -0.0004571800000000 ] - [ 0.0010288500000000, 0.0013089700000000, 0.0023592700000000 ] - [ 0.0010369800000000, 0.0012824100000000, 0.0024231000000000 ] - [ -0.0052684300000000, -0.0014078000000000, -0.0038243900000000 ] - [ -0.0052672500000000, -0.0014125700000000, -0.0038272800000000 ] - [ -0.0009221300000000, -0.0006216300000000, -0.0004341200000000 ] - [ -0.0009264800000000, -0.0006365900000000, -0.0004364800000000 ] - [ -0.0004040200000000, 0.0014181900000000, -0.0018425400000000 ] - [ -0.0004914200000000, 0.0012840200000000, -0.0023409800000000 ] - [ 0.0009981200000000, -0.0012773400000000, 0.0024465000000000 ] - [ 0.0010395800000000, -0.0013590900000000, 0.0023687700000000 ] - [ 0.0278401200000000, 0.0103078400000000, -0.0014803300000000 ] - [ 0.0037841600000000, 0.0001552000000000, 0.0030685100000000 ] - [ -0.0006357300000000, -0.0015139900000000, -0.0020747900000000 ] - [ -0.0006405900000000, -0.0015253300000000, -0.0020662800000000 ] - [ 0.0013922700000000, -0.0004784500000000, 0.0016880200000000 ] - [ 0.0012644900000000, -0.0005011800000000, 0.0015837000000000 ] - [ 0.0037110200000000, -0.0003175600000000, 0.0031075300000000 ] - [ 0.0037105900000000, -0.0003176500000000, 0.0031056100000000 ] - [ 0.0012699400000000, 0.0004939700000000, 0.0016255100000000 ] - [ 0.0012687200000000, 0.0004803000000000, 0.0015923900000000 ] - [ -0.0027383500000000, -0.0016399800000000, 0.0020074200000000 ] - [ -0.0007458800000000, 0.0000665600000000, -0.0024269700000000 ] - [ -0.0025984000000000, -0.0006826900000000, -0.0007598900000000 ] - [ -0.0026038100000000, -0.0007432100000000, -0.0008085900000000 ] - [ -0.0007559300000000, -0.0000896400000000, -0.0023881700000000 ] - [ -0.0007582400000000, -0.0000875200000000, -0.0023940400000000 ] - [ -0.0026087100000000, 0.0007104400000000, -0.0006983500000000 ] - [ -0.0026134700000000, 0.0007464400000000, -0.0008502900000000 ] - [ 0.0016608900000000, 0.0007513300000000, 0.0008793000000000 ] - [ 0.0016600600000000, 0.0007526400000000, 0.0008926200000000 ] - [ -0.0027714100000000, 0.0038187000000000, 0.0010813200000000 ] - [ 0.0013157000000000, -0.0000611100000000, -0.0000148900000000 ] - [ 0.0012895600000000, -0.0004564800000000, -0.0001766600000000 ] - [ 0.0013264500000000, -0.0005541600000000, -0.0000857700000000 ] - [ 0.0031172000000000, -0.0012355300000000, 0.0029779300000000 ] - [ 0.0031318500000000, -0.0012548000000000, 0.0030195500000000 ] - [ 0.0016767500000000, -0.0006354500000000, 0.0003809500000000 ] - [ 0.0015985500000000, -0.0008544600000000, 0.0008854500000000 ] - [ 0.0014089200000000, -0.0000071400000000, -0.0000057600000000 ] - [ 0.0014063200000000, -0.0000116600000000, -0.0000070700000000 ] - [ 0.0013413400000000, 0.0004684300000000, -0.0000728200000000 ] - [ 0.0013436600000000, 0.0004530500000000, -0.0000681900000000 ] - [ 0.0031570000000000, 0.0012701200000000, 0.0029450300000000 ] - [ 0.0031215900000000, 0.0011956100000000, 0.0029942000000000 ] - [ -0.0020007100000000, -0.0022497700000000, -0.0003189500000000 ] - [ -0.0016934200000000, -0.0013502600000000, -0.0013892300000000 ] - [ -0.0013682300000000, 0.0013123800000000, -0.0011352700000000 ] - [ -0.0013645200000000, 0.0013029700000000, -0.0011452400000000 ] - [ -0.0028257600000000, 0.0011895300000000, -0.0009423400000000 ] - [ -0.0009555500000000, 0.0005838600000000, -0.0011677200000000 ] - [ -0.0015547900000000, -0.0002100400000000, -0.0001992300000000 ] - [ -0.0013652500000000, -0.0003016900000000, -0.0002539900000000 ] - [ -0.0009408600000000, -0.0004946300000000, -0.0009952500000000 ] - [ -0.0009402000000000, -0.0004925500000000, -0.0009950900000000 ] - [ -0.0013881900000000, 0.0002800400000000, -0.0002371300000000 ] - [ -0.0013920700000000, 0.0003058900000000, -0.0002726100000000 ] - [ -0.0044371400000000, -0.0021858200000000, -0.0048467000000000 ] - [ -0.0023457600000000, -0.0011867500000000, -0.0005576200000000 ] - [ -0.0019776400000000, -0.0007259900000000, 0.0010728500000000 ] - [ -0.0019926500000000, -0.0007787000000000, 0.0010993100000000 ] - [ -0.0022903400000000, 0.0011877600000000, -0.0004885500000000 ] - [ -0.0022900000000000, 0.0011858300000000, -0.0004969200000000 ] - [ -0.0019829300000000, 0.0007914700000000, 0.0011347000000000 ] - [ -0.0019923400000000, 0.0007340100000000, 0.0010375000000000 ] - [ -0.0004875600000000, 0.0010001500000000, 0.0002209500000000 ] - [ -0.0004879100000000, 0.0009934300000000, 0.0002332100000000 ] - [ -0.0005001900000000, -0.0007814000000000, 0.0006019500000000 ] - [ -0.0004592200000000, -0.0011012800000000, 0.0001539600000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008090300000000, -0.0011134200000000, 0.0016537600000000 ] - [ 0.0038652900000000, 0.0075007600000000, 0.0050266000000000 ] - [ 0.0004726000000000, -0.0002459100000000, 0.0001882200000000 ] - [ 0.0003875900000000, -0.0008169700000000, -0.0002547100000000 ] - [ 0.0006591500000000, 0.0005166600000000, 0.0007221800000000 ] - [ 0.0006518100000000, 0.0004769600000000, 0.0007185300000000 ] - [ 0.0003362600000000, 0.0004544200000000, -0.0000795600000000 ] - [ 0.0003641500000000, 0.0004734500000000, -0.0002151500000000 ] - [ -0.0006556300000000, -0.0009804800000000, -0.0003644900000000 ] - [ -0.0006404100000000, -0.0008331800000000, -0.0002687500000000 ] - [ -0.0007593400000000, -0.0016409800000000, 0.0005304300000000 ] - [ -0.0001076600000000, -0.0003720000000000, 0.0018440900000000 ] - [ -0.0007083700000000, 0.0009029200000000, -0.0006410200000000 ] - [ -0.0005815800000000, 0.0007177600000000, 0.0000006700000000 ] - [ -0.0002362700000000, 0.0007679700000000, 0.0008681500000000 ] - [ -0.0002314400000000, 0.0007578900000000, 0.0009001900000000 ] - [ 0.0034688300000000, 0.0023355400000000, -0.0012312200000000 ] - [ 0.0035681400000000, 0.0020489500000000, -0.0006442000000000 ] - [ 0.0072843700000000, 0.0039114800000000, 0.0000647100000000 ] - [ 0.0024083500000000, -0.0008139400000000, 0.0009595000000000 ] - [ 0.0035077600000000, -0.0021235800000000, -0.0008820500000000 ] - [ 0.0035631700000000, -0.0022688200000000, -0.0009162600000000 ] - [ 0.0023329200000000, -0.0001098800000000, 0.0005388800000000 ] - [ 0.0023422900000000, -0.0001300300000000, 0.0005612000000000 ] - [ -0.0011881200000000, 0.0050916000000000, 0.0041624000000000 ] - [ -0.0015586200000000, -0.0011711500000000, 0.0012335000000000 ] - [ 0.0004376000000000, -0.0023410100000000, -0.0016837400000000 ] - [ 0.0004168600000000, -0.0024729100000000, -0.0015162700000000 ] - [ -0.0013083800000000, 0.0002030900000000, 0.0002003400000000 ] - [ -0.0013217900000000, 0.0001507700000000, 0.0001958100000000 ] - [ 0.0006926500000000, 0.0034029900000000, -0.0015181500000000 ] - [ 0.0002591500000000, 0.0018252600000000, -0.0016404200000000 ] - [ -0.0025157600000000, 0.0089881900000000, -0.0018250800000000 ] - [ -0.0057628600000000, 0.0036330800000000, -0.0047513600000000 ] - [ -0.0007488000000000, 0.0009294700000000, -0.0002821700000000 ] - [ -0.0009077700000000, 0.0006263300000000, -0.0006388200000000 ] - [ 0.0009996600000000, 0.0013093100000000, 0.0024945000000000 ] - [ 0.0009987900000000, 0.0013213300000000, 0.0023543800000000 ] - [ -0.0052654200000000, -0.0014101400000000, -0.0037794800000000 ] - [ -0.0052655800000000, -0.0014006700000000, -0.0037858200000000 ] - [ -0.0009305500000000, -0.0006495100000000, -0.0003883500000000 ] - [ -0.0009238000000000, -0.0006189600000000, -0.0004106800000000 ] - [ -0.0005918500000000, 0.0015751300000000, -0.0033053300000000 ] - [ -0.0008955400000000, 0.0020850600000000, -0.0016368300000000 ] - [ 0.0010586000000000, -0.0013573200000000, 0.0024644600000000 ] - [ 0.0009718000000000, -0.0012443800000000, 0.0024082000000000 ] - [ -0.0062380600000000, -0.0291934300000000, -0.0056057600000000 ] - [ 0.0038668700000000, 0.0008604400000000, 0.0031141700000000 ] - [ -0.0006392300000000, -0.0015590600000000, -0.0019942000000000 ] - [ -0.0006322900000000, -0.0015267000000000, -0.0020298800000000 ] - [ 0.0012880800000000, -0.0010397100000000, 0.0022374500000000 ] - [ 0.0013019600000000, -0.0003267000000000, 0.0014915400000000 ] - [ 0.0037039800000000, -0.0003386600000000, 0.0031617000000000 ] - [ 0.0037038300000000, -0.0003343100000000, 0.0031560800000000 ] - [ 0.0012796200000000, 0.0004714900000000, 0.0016285000000000 ] - [ 0.0012705500000000, 0.0005206000000000, 0.0016684900000000 ] - [ 0.0005170300000000, -0.0002029800000000, -0.0054666400000000 ] - [ -0.0004821700000000, 0.0005676400000000, -0.0024985200000000 ] - [ -0.0026445100000000, -0.0007887700000000, -0.0007748600000000 ] - [ -0.0025710700000000, -0.0006434000000000, -0.0007378100000000 ] - [ -0.0007545700000000, -0.0000884400000000, -0.0023688700000000 ] - [ -0.0007597900000000, -0.0000741700000000, -0.0023569700000000 ] - [ -0.0025866700000000, 0.0006585900000000, -0.0008834100000000 ] - [ -0.0026525100000000, 0.0007798500000000, -0.0007213300000000 ] - [ 0.0016483000000000, 0.0007794600000000, 0.0009574700000000 ] - [ 0.0016570900000000, 0.0007567100000000, 0.0009074100000000 ] - [ -0.0024303100000000, 0.0030356200000000, 0.0009270700000000 ] - [ 0.0015137500000000, 0.0003643000000000, -0.0004882800000000 ] - [ 0.0008822800000000, -0.0002387500000000, 0.0001535700000000 ] - [ 0.0013663200000000, -0.0004862000000000, -0.0002343200000000 ] - [ 0.0031938900000000, -0.0012223600000000, 0.0031056800000000 ] - [ 0.0031494100000000, -0.0012399900000000, 0.0029834100000000 ] - [ 0.0016158300000000, -0.0010987700000000, 0.0016008100000000 ] - [ 0.0017755100000000, -0.0004907300000000, 0.0006728400000000 ] - [ 0.0014198400000000, -0.0000071000000000, 0.0000434900000000 ] - [ 0.0014195800000000, 0.0000004500000000, 0.0000354600000000 ] - [ 0.0013275400000000, 0.0004469700000000, -0.0000116100000000 ] - [ 0.0013291400000000, 0.0004711900000000, -0.0000401700000000 ] - [ 0.0031433900000000, 0.0011924500000000, 0.0031800900000000 ] - [ 0.0031909100000000, 0.0012920900000000, 0.0029980500000000 ] - [ -0.0012060300000000, -0.0008842700000000, -0.0017737500000000 ] - [ -0.0004124600000000, -0.0008363000000000, -0.0005953700000000 ] - [ -0.0013590300000000, 0.0013063800000000, -0.0010893400000000 ] - [ -0.0013654900000000, 0.0013347900000000, -0.0010844400000000 ] - [ -0.0008390200000000, 0.0002172800000000, -0.0012857500000000 ] - [ -0.0009287800000000, 0.0010622400000000, -0.0013824000000000 ] - [ -0.0012800600000000, -0.0004785500000000, -0.0003532400000000 ] - [ -0.0013774900000000, -0.0000677700000000, -0.0001537700000000 ] - [ -0.0009458100000000, -0.0004786200000000, -0.0009501600000000 ] - [ -0.0009493600000000, -0.0004853900000000, -0.0009522100000000 ] - [ -0.0013999000000000, 0.0002920300000000, -0.0002492900000000 ] - [ -0.0013837300000000, 0.0002972800000000, -0.0001804600000000 ] - [ -0.0011213700000000, -0.0019651000000000, 0.0004925100000000 ] - [ -0.0025088000000000, -0.0007305100000000, -0.0006887800000000 ] - [ -0.0019861800000000, -0.0008225100000000, 0.0012019100000000 ] - [ -0.0020232100000000, -0.0007170800000000, 0.0010992200000000 ] - [ -0.0022873500000000, 0.0011776500000000, -0.0004621700000000 ] - [ -0.0022832900000000, 0.0011911900000000, -0.0004562800000000 ] - [ -0.0020450900000000, 0.0005993000000000, 0.0010487200000000 ] - [ -0.0019421400000000, 0.0008981300000000, 0.0012156700000000 ] - [ -0.0004773800000000, 0.0009903900000000, 0.0002950800000000 ] - [ -0.0004853400000000, 0.0009967600000000, 0.0002513000000000 ] - [ -0.0007516700000000, -0.0013070300000000, 0.0006282000000000 ] - [ -0.0005658400000000, -0.0007790200000000, 0.0001833600000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005082200000000, 0.0001207600000000, 0.0001012700000000 ] - [ -0.0024094100000000, -0.0082238500000000, -0.0031070900000000 ] - [ 0.0002190900000000, -0.0007223700000000, -0.0002149900000000 ] - [ 0.0003055400000000, -0.0001560800000000, 0.0002292400000000 ] - [ 0.0006579100000000, 0.0004656200000000, 0.0010299000000000 ] - [ 0.0006651500000000, 0.0005049100000000, 0.0010336700000000 ] - [ 0.0003562500000000, 0.0005161300000000, 0.0000540800000000 ] - [ 0.0003286900000000, 0.0004980800000000, 0.0001887600000000 ] - [ -0.0006395800000000, -0.0008308500000000, -0.0000235900000000 ] - [ -0.0006548100000000, -0.0009768800000000, -0.0001195600000000 ] - [ 0.0002963200000000, 0.0001030100000000, 0.0015049200000000 ] - [ -0.0003585600000000, -0.0011506100000000, 0.0001923500000000 ] - [ -0.0005872100000000, 0.0009112600000000, 0.0002501300000000 ] - [ -0.0007129500000000, 0.0010908600000000, -0.0003869100000000 ] - [ -0.0002319900000000, 0.0007648500000000, 0.0011638900000000 ] - [ -0.0002367900000000, 0.0007747400000000, 0.0011320200000000 ] - [ 0.0036243000000000, 0.0020673700000000, -0.0002792500000000 ] - [ 0.0035247500000000, 0.0023550600000000, -0.0008594700000000 ] - [ -0.0026833800000000, -0.0036854100000000, 0.0013818600000000 ] - [ 0.0022707300000000, 0.0010350400000000, 0.0004511400000000 ] - [ 0.0035846100000000, -0.0022788500000000, -0.0006237600000000 ] - [ 0.0035295900000000, -0.0021345600000000, -0.0005905100000000 ] - [ 0.0023450800000000, -0.0001150600000000, 0.0008703100000000 ] - [ 0.0023358700000000, -0.0000949600000000, 0.0008481300000000 ] - [ -0.0014308700000000, -0.0055232500000000, -0.0035516500000000 ] - [ -0.0010823000000000, 0.0008161800000000, -0.0004439000000000 ] - [ 0.0004101600000000, -0.0024504200000000, -0.0011103900000000 ] - [ 0.0004306700000000, -0.0023186400000000, -0.0012768100000000 ] - [ -0.0013280200000000, 0.0001502900000000, 0.0005793500000000 ] - [ -0.0013148700000000, 0.0002018500000000, 0.0005838500000000 ] - [ 0.0001560900000000, 0.0013955500000000, -0.0012717600000000 ] - [ 0.0005871000000000, 0.0029625200000000, -0.0011556600000000 ] - [ -0.0080890800000000, -0.0063379100000000, -0.0059419400000000 ] - [ -0.0047876800000000, -0.0007555500000000, -0.0029683700000000 ] - [ -0.0010914900000000, 0.0003246600000000, -0.0006331500000000 ] - [ -0.0009363900000000, 0.0006222000000000, -0.0002825800000000 ] - [ 0.0010175300000000, 0.0013282900000000, 0.0022357700000000 ] - [ 0.0010186600000000, 0.0013157800000000, 0.0023752400000000 ] - [ -0.0052731400000000, -0.0014158000000000, -0.0039266800000000 ] - [ -0.0052730200000000, -0.0014252700000000, -0.0039203700000000 ] - [ -0.0009136700000000, -0.0006000400000000, -0.0005311200000000 ] - [ -0.0009203400000000, -0.0006303700000000, -0.0005087700000000 ] - [ -0.0006987400000000, 0.0014324300000000, -0.0009008100000000 ] - [ -0.0003927700000000, 0.0009315200000000, -0.0025695300000000 ] - [ 0.0009595300000000, -0.0012799200000000, 0.0022652000000000 ] - [ 0.0010454800000000, -0.0013915200000000, 0.0023219100000000 ] - [ 0.0135860400000000, 0.0297484900000000, 0.0117790800000000 ] - [ 0.0035657400000000, -0.0002452200000000, 0.0030356500000000 ] - [ -0.0006473500000000, -0.0014526000000000, -0.0022152500000000 ] - [ -0.0006539700000000, -0.0014850200000000, -0.0021799200000000 ] - [ 0.0012451200000000, 0.0000806800000000, 0.0009223000000000 ] - [ 0.0012329200000000, -0.0006335100000000, 0.0016686000000000 ] - [ 0.0037270000000000, -0.0002734700000000, 0.0029879100000000 ] - [ 0.0037271100000000, -0.0002778200000000, 0.0029935900000000 ] - [ 0.0012551500000000, 0.0004899700000000, 0.0015330000000000 ] - [ 0.0012642500000000, 0.0004411200000000, 0.0014935800000000 ] - [ -0.0020308600000000, 0.0003744200000000, 0.0006446300000000 ] - [ -0.0010325600000000, -0.0003786800000000, -0.0023193400000000 ] - [ -0.0025611000000000, -0.0006789700000000, -0.0008646600000000 ] - [ -0.0026343300000000, -0.0008238900000000, -0.0009017300000000 ] - [ -0.0007605900000000, -0.0000971400000000, -0.0024483200000000 ] - [ -0.0007553600000000, -0.0001114200000000, -0.0024602000000000 ] - [ -0.0026191200000000, 0.0008100100000000, -0.0007579000000000 ] - [ -0.0025530800000000, 0.0006881700000000, -0.0009176500000000 ] - [ 0.0016797500000000, 0.0007046000000000, 0.0007590500000000 ] - [ 0.0016711200000000, 0.0007271200000000, 0.0008087600000000 ] - [ 0.0052853000000000, -0.0030358000000000, -0.0010133700000000 ] - [ 0.0012877700000000, -0.0003368500000000, 0.0004195300000000 ] - [ 0.0018119400000000, -0.0006860900000000, -0.0003315700000000 ] - [ 0.0013296900000000, -0.0004424600000000, 0.0000521100000000 ] - [ 0.0030934000000000, -0.0012427500000000, 0.0028544500000000 ] - [ 0.0031374400000000, -0.0012257700000000, 0.0029759400000000 ] - [ 0.0017114600000000, -0.0003889200000000, 0.0001170700000000 ] - [ 0.0015535400000000, -0.0009902300000000, 0.0010421700000000 ] - [ 0.0013806500000000, -0.0000191600000000, -0.0001080800000000 ] - [ 0.0013808700000000, -0.0000267100000000, -0.0001000100000000 ] - [ 0.0013677200000000, 0.0004802900000000, -0.0001685700000000 ] - [ 0.0013660100000000, 0.0004563000000000, -0.0001400000000000 ] - [ 0.0031431300000000, 0.0012734000000000, 0.0027799000000000 ] - [ 0.0030965600000000, 0.0011747700000000, 0.0029616700000000 ] - [ -0.0015276600000000, -0.0017093000000000, -0.0005787500000000 ] - [ -0.0023127600000000, -0.0017573000000000, -0.0017444700000000 ] - [ -0.0013770900000000, 0.0012919200000000, -0.0012574800000000 ] - [ -0.0013707000000000, 0.0012636800000000, -0.0012624400000000 ] - [ -0.0010303000000000, 0.0007797700000000, -0.0007605300000000 ] - [ -0.0009442900000000, -0.0000558100000000, -0.0006620000000000 ] - [ -0.0015031800000000, -0.0001107800000000, -0.0002135900000000 ] - [ -0.0014056600000000, -0.0005183800000000, -0.0004144700000000 ] - [ -0.0009254500000000, -0.0005227800000000, -0.0010933900000000 ] - [ -0.0009219000000000, -0.0005161000000000, -0.0010912800000000 ] - [ -0.0013834600000000, 0.0002965800000000, -0.0003185700000000 ] - [ -0.0013995400000000, 0.0002909100000000, -0.0003867900000000 ] - [ -0.0034491200000000, -0.0004034100000000, -0.0014991900000000 ] - [ -0.0020773800000000, -0.0016437600000000, -0.0003407800000000 ] - [ -0.0019882800000000, -0.0006999400000000, 0.0009496000000000 ] - [ -0.0019509900000000, -0.0008048900000000, 0.0010514800000000 ] - [ -0.0022975800000000, 0.0011991000000000, -0.0005649600000000 ] - [ -0.0023015500000000, 0.0011856100000000, -0.0005707500000000 ] - [ -0.0019291900000000, 0.0009228100000000, 0.0011014300000000 ] - [ -0.0020319700000000, 0.0006256600000000, 0.0009362800000000 ] - [ -0.0005054300000000, 0.0010081600000000, 0.0000997800000000 ] - [ -0.0004976200000000, 0.0010017300000000, 0.0001433300000000 ] - [ -0.0002331700000000, -0.0006942800000000, -0.0002307000000000 ] - [ -0.0004173800000000, -0.0012168500000000, 0.0002114600000000 ]- atom: 47 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0005878700000000, -0.0002374500000000, 0.0022273700000000 ] - [ 0.0016043800000000, 0.0024477100000000, 0.0030875200000000 ] - [ 0.0001266000000000, 0.0001983800000000, -0.0005738500000000 ] - [ 0.0003981400000000, -0.0009372100000000, -0.0002915400000000 ] - [ 0.0006529600000000, 0.0005275200000000, 0.0004369400000000 ] - [ 0.0006484600000000, 0.0004856600000000, 0.0004483000000000 ] - [ 0.0003723300000000, 0.0005613800000000, -0.0003711700000000 ] - [ 0.0003445500000000, 0.0003537600000000, -0.0004303300000000 ] - [ -0.0006622200000000, -0.0010215800000000, -0.0005413900000000 ] - [ -0.0006528500000000, -0.0008088400000000, -0.0005922200000000 ] - [ -0.0004339000000000, -0.0014822200000000, 0.0015423100000000 ] - [ 0.0002743600000000, 0.0002111800000000, 0.0024616300000000 ] - [ -0.0005873500000000, 0.0004193200000000, -0.0006908500000000 ] - [ -0.0006608000000000, 0.0011474300000000, -0.0002668900000000 ] - [ -0.0002305100000000, 0.0007429500000000, 0.0006364500000000 ] - [ -0.0002320900000000, 0.0007727400000000, 0.0006574800000000 ] - [ 0.0035278900000000, 0.0020638300000000, -0.0016504400000000 ] - [ 0.0036098400000000, 0.0022185800000000, -0.0007075200000000 ] - [ -0.0007675000000000, -0.0004320700000000, 0.0033940000000000 ] - [ 0.0022744300000000, -0.0004210200000000, 0.0015317700000000 ] - [ 0.0035072000000000, -0.0021522800000000, -0.0012359000000000 ] - [ 0.0035439700000000, -0.0022431200000000, -0.0010752200000000 ] - [ 0.0023320200000000, -0.0001330400000000, 0.0002512700000000 ] - [ 0.0023379400000000, -0.0001331800000000, 0.0002971900000000 ] - [ -0.0022974300000000, 0.0033969500000000, 0.0102624400000000 ] - [ -0.0013946000000000, -0.0004777700000000, 0.0014551400000000 ] - [ 0.0004542800000000, -0.0024450500000000, -0.0020581800000000 ] - [ 0.0004054400000000, -0.0023874600000000, -0.0018570200000000 ] - [ -0.0013116600000000, 0.0001958300000000, -0.0001744400000000 ] - [ -0.0013146100000000, 0.0001571200000000, -0.0001141300000000 ] - [ 0.0004673300000000, 0.0029217100000000, -0.0025993700000000 ] - [ 0.0003336600000000, 0.0020496200000000, -0.0015181700000000 ] - [ -0.0043634200000000, 0.0035402700000000, -0.0048094600000000 ] - [ -0.0053227500000000, 0.0013558100000000, -0.0045663400000000 ] - [ -0.0003372600000000, 0.0013814500000000, -0.0002570700000000 ] - [ -0.0008798200000000, 0.0004538400000000, -0.0006995300000000 ] - [ 0.0009870600000000, 0.0013409600000000, 0.0025802500000000 ] - [ 0.0010270900000000, 0.0012126400000000, 0.0025135500000000 ] - [ -0.0052593000000000, -0.0013937500000000, -0.0036465200000000 ] - [ -0.0052574200000000, -0.0013913600000000, -0.0036681600000000 ] - [ -0.0009342700000000, -0.0006538800000000, -0.0002699600000000 ] - [ -0.0009367300000000, -0.0006515700000000, -0.0003098200000000 ] - [ -0.0006831600000000, 0.0005759800000000, -0.0013271800000000 ] - [ -0.0008230000000000, 0.0018765500000000, -0.0019451900000000 ] - [ 0.0010233800000000, -0.0012493600000000, 0.0026924700000000 ] - [ 0.0010109400000000, -0.0013047400000000, 0.0024432900000000 ] - [ 0.0089900000000000, -0.0079083800000000, -0.0231004500000000 ] - [ 0.0037227700000000, 0.0003388100000000, 0.0026731300000000 ] - [ -0.0006233200000000, -0.0016239400000000, -0.0018145000000000 ] - [ -0.0006175900000000, -0.0015999900000000, -0.0018728900000000 ] - [ 0.0013405900000000, -0.0009189600000000, 0.0023041700000000 ] - [ 0.0012828600000000, -0.0003945200000000, 0.0014593300000000 ] - [ 0.0036829300000000, -0.0003930700000000, 0.0033166900000000 ] - [ 0.0036848100000000, -0.0003874000000000, 0.0033003100000000 ] - [ 0.0013012800000000, 0.0004989100000000, 0.0017803100000000 ] - [ 0.0012741900000000, 0.0005494200000000, 0.0017568100000000 ] - [ -0.0052827000000000, -0.0034462900000000, 0.0033638800000000 ] - [ -0.0006093100000000, 0.0003994100000000, -0.0026000200000000 ] - [ -0.0026318700000000, -0.0006893000000000, -0.0006161400000000 ] - [ -0.0025679600000000, -0.0006288700000000, -0.0006693800000000 ] - [ -0.0007490100000000, -0.0000767700000000, -0.0022826000000000 ] - [ -0.0007641300000000, -0.0000457100000000, -0.0022790900000000 ] - [ -0.0024673700000000, 0.0004891400000000, -0.0005947100000000 ] - [ -0.0027064100000000, 0.0008494400000000, -0.0007507200000000 ] - [ 0.0016197600000000, 0.0008367800000000, 0.0010905200000000 ] - [ 0.0016455800000000, 0.0007929300000000, 0.0010381800000000 ] - [ -0.0008982800000000, 0.0016098500000000, -0.0011917800000000 ] - [ 0.0013847400000000, 0.0002881000000000, -0.0007416800000000 ] - [ 0.0006139300000000, 0.0000957400000000, 0.0002282600000000 ] - [ 0.0013908600000000, -0.0006942400000000, -0.0002906100000000 ] - [ 0.0032425800000000, -0.0011875500000000, 0.0031932600000000 ] - [ 0.0031696500000000, -0.0013119700000000, 0.0031073600000000 ] - [ 0.0018648500000000, -0.0006893100000000, 0.0019721100000000 ] - [ 0.0016952800000000, -0.0006447400000000, 0.0007017500000000 ] - [ 0.0014576800000000, 0.0000130400000000, 0.0001766400000000 ] - [ 0.0014503600000000, 0.0000146000000000, 0.0001526400000000 ] - [ 0.0012858300000000, 0.0004537100000000, 0.0001079400000000 ] - [ 0.0013041300000000, 0.0004444900000000, 0.0000560300000000 ] - [ 0.0032401100000000, 0.0012507300000000, 0.0033687600000000 ] - [ 0.0031766000000000, 0.0012374100000000, 0.0030536300000000 ] - [ -0.0016647900000000, -0.0017231400000000, -0.0011230800000000 ] - [ -0.0007537500000000, -0.0008471500000000, -0.0009911700000000 ] - [ -0.0013482900000000, 0.0013520100000000, -0.0009207100000000 ] - [ -0.0013552100000000, 0.0013687700000000, -0.0009471400000000 ] - [ -0.0010208800000000, 0.0008364900000000, -0.0018873900000000 ] - [ -0.0008290600000000, 0.0008924100000000, -0.0015387700000000 ] - [ -0.0014915200000000, -0.0005988100000000, 0.0000130000000000 ] - [ -0.0013475700000000, -0.0000078700000000, -0.0001724200000000 ] - [ -0.0009661900000000, -0.0004446500000000, -0.0008228800000000 ] - [ -0.0009714000000000, -0.0004514500000000, -0.0008268100000000 ] - [ -0.0013944700000000, 0.0002345900000000, -0.0000903900000000 ] - [ -0.0013800900000000, 0.0003412800000000, -0.0000805900000000 ] - [ 0.0016656700000000, -0.0003791000000000, 0.0035445700000000 ] - [ -0.0023875400000000, -0.0010234300000000, -0.0007312200000000 ] - [ -0.0020664100000000, -0.0008049600000000, 0.0013543700000000 ] - [ -0.0020444100000000, -0.0007502200000000, 0.0011710200000000 ] - [ -0.0022749500000000, 0.0011676800000000, -0.0003517700000000 ] - [ -0.0022690800000000, 0.0011863600000000, -0.0003706000000000 ] - [ -0.0021937900000000, 0.0006217000000000, 0.0013215500000000 ] - [ -0.0019343000000000, 0.0009102600000000, 0.0012025600000000 ] - [ -0.0004531400000000, 0.0009939900000000, 0.0004298400000000 ] - [ -0.0004745800000000, 0.0009715800000000, 0.0003904800000000 ] - [ -0.0009143100000000, -0.0010449800000000, 0.0012897300000000 ] - [ -0.0005428200000000, -0.0009751300000000, 0.0000691400000000 ]- atom: 47 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0007290600000000, -0.0007453600000000, -0.0004749400000000 ] - [ -0.0002526500000000, -0.0033644300000000, -0.0013212500000000 ] - [ 0.0005687200000000, -0.0011731300000000, 0.0005487200000000 ] - [ 0.0002942900000000, -0.0000305600000000, 0.0002669900000000 ] - [ 0.0006640000000000, 0.0004538400000000, 0.0013162100000000 ] - [ 0.0006684900000000, 0.0004960300000000, 0.0013049400000000 ] - [ 0.0003204000000000, 0.0004100800000000, 0.0003468000000000 ] - [ 0.0003479400000000, 0.0006166200000000, 0.0004058000000000 ] - [ -0.0006327200000000, -0.0007883400000000, 0.0001548400000000 ] - [ -0.0006421300000000, -0.0010022700000000, 0.0002058800000000 ] - [ -0.0000334800000000, -0.0000478200000000, 0.0004834100000000 ] - [ -0.0007493900000000, -0.0017446800000000, -0.0004418100000000 ] - [ -0.0007064200000000, 0.0013876600000000, 0.0003054800000000 ] - [ -0.0006338100000000, 0.0006634700000000, -0.0001182400000000 ] - [ -0.0002372000000000, 0.0007894000000000, 0.0013962800000000 ] - [ -0.0002357100000000, 0.0007599100000000, 0.0013753200000000 ] - [ 0.0035642400000000, 0.0023403100000000, 0.0001481200000000 ] - [ 0.0034829500000000, 0.0021864700000000, -0.0007997900000000 ] - [ 0.0053982900000000, 0.0006265300000000, -0.0019854900000000 ] - [ 0.0024023700000000, 0.0006499600000000, -0.0001199700000000 ] - [ 0.0035862800000000, -0.0022520700000000, -0.0002688300000000 ] - [ 0.0035495800000000, -0.0021615500000000, -0.0004287300000000 ] - [ 0.0023462400000000, -0.0000922600000000, 0.0011592100000000 ] - [ 0.0023403200000000, -0.0000921400000000, 0.0011132000000000 ] - [ -0.0002552900000000, -0.0040561800000000, -0.0100039100000000 ] - [ -0.0012384900000000, 0.0001312700000000, -0.0006822600000000 ] - [ 0.0003931500000000, -0.0023464600000000, -0.0007335400000000 ] - [ 0.0004422400000000, -0.0024041000000000, -0.0009359400000000 ] - [ -0.0013252900000000, 0.0001559800000000, 0.0009557700000000 ] - [ -0.0013224100000000, 0.0001941600000000, 0.0008958700000000 ] - [ 0.0003781900000000, 0.0018724200000000, -0.0001940700000000 ] - [ 0.0005140900000000, 0.0027426000000000, -0.0012721600000000 ] - [ -0.0061709900000000, -0.0007101200000000, -0.0028842300000000 ] - [ -0.0052112000000000, 0.0014608200000000, -0.0031359400000000 ] - [ -0.0015136500000000, -0.0001360300000000, -0.0006631100000000 ] - [ -0.0009635100000000, 0.0007969500000000, -0.0002161500000000 ] - [ 0.0010320800000000, 0.0012970800000000, 0.0021471200000000 ] - [ 0.0009917300000000, 0.0014260400000000, 0.0022143000000000 ] - [ -0.0052773300000000, -0.0014339900000000, -0.0040635200000000 ] - [ -0.0052792700000000, -0.0014363900000000, -0.0040418900000000 ] - [ -0.0009088800000000, -0.0005967900000000, -0.0006480300000000 ] - [ -0.0009064400000000, -0.0005991300000000, -0.0006083500000000 ] - [ -0.0006063900000000, 0.0024247000000000, -0.0028666500000000 ] - [ -0.0004616800000000, 0.0011357200000000, -0.0022653800000000 ] - [ 0.0009962700000000, -0.0013885400000000, 0.0020361100000000 ] - [ 0.0010083400000000, -0.0013336100000000, 0.0022839800000000 ] - [ -0.0016509300000000, 0.0087741300000000, 0.0298718200000000 ] - [ 0.0037081000000000, 0.0002693200000000, 0.0034715100000000 ] - [ -0.0006623100000000, -0.0013898700000000, -0.0023938100000000 ] - [ -0.0006678200000000, -0.0014141700000000, -0.0023351500000000 ] - [ 0.0011955300000000, -0.0000407300000000, 0.0008556800000000 ] - [ 0.0012516800000000, -0.0005694500000000, 0.0017059500000000 ] - [ 0.0037489300000000, -0.0002167200000000, 0.0028281500000000 ] - [ 0.0037469900000000, -0.0002223900000000, 0.0028446500000000 ] - [ 0.0012335100000000, 0.0004637100000000, 0.0013830400000000 ] - [ 0.0012604600000000, 0.0004134200000000, 0.0014064600000000 ] - [ 0.0038547900000000, 0.0036877900000000, -0.0082910100000000 ] - [ -0.0009082900000000, -0.0002171100000000, -0.0022152000000000 ] - [ -0.0025751200000000, -0.0007806500000000, -0.0010252400000000 ] - [ -0.0026394500000000, -0.0008416500000000, -0.0009718700000000 ] - [ -0.0007678800000000, -0.0001075000000000, -0.0025342500000000 ] - [ -0.0007528800000000, -0.0001383700000000, -0.0025377700000000 ] - [ -0.0027392700000000, 0.0009804900000000, -0.0010467500000000 ] - [ -0.0025013000000000, 0.0006215600000000, -0.0008912900000000 ] - [ 0.0017064900000000, 0.0006487800000000, 0.0006271900000000 ] - [ 0.0016805200000000, 0.0006928800000000, 0.0006798800000000 ] - [ 0.0036938500000000, -0.0015779000000000, 0.0011380400000000 ] - [ 0.0014131700000000, -0.0002607900000000, 0.0006744600000000 ] - [ 0.0020887100000000, -0.0010251300000000, -0.0004107800000000 ] - [ 0.0013025500000000, -0.0002308600000000, 0.0001140100000000 ] - [ 0.0030416200000000, -0.0012772200000000, 0.0027638100000000 ] - [ 0.0031147800000000, -0.0011523000000000, 0.0028500900000000 ] - [ 0.0014707200000000, -0.0007907600000000, -0.0002366200000000 ] - [ 0.0016309800000000, -0.0008408700000000, 0.0010157500000000 ] - [ 0.0013401400000000, -0.0000416200000000, -0.0002450900000000 ] - [ 0.0013474500000000, -0.0000432100000000, -0.0002211200000000 ] - [ 0.0014083000000000, 0.0004720500000000, -0.0002862800000000 ] - [ 0.0013900200000000, 0.0004812200000000, -0.0002345500000000 ] - [ 0.0030443700000000, 0.0012139100000000, 0.0025895600000000 ] - [ 0.0031078300000000, 0.0012272700000000, 0.0029033900000000 ] - [ -0.0010697400000000, -0.0008694400000000, -0.0012269800000000 ] - [ -0.0019868000000000, -0.0017511000000000, -0.0013581500000000 ] - [ -0.0013889000000000, 0.0012447100000000, -0.0014262500000000 ] - [ -0.0013819500000000, 0.0012278500000000, -0.0013997600000000 ] - [ -0.0008487300000000, 0.0001605200000000, -0.0001602700000000 ] - [ -0.0010433700000000, 0.0001067300000000, -0.0005067400000000 ] - [ -0.0012900400000000, 0.0000123800000000, -0.0005814600000000 ] - [ -0.0014355700000000, -0.0005824800000000, -0.0003950800000000 ] - [ -0.0009059300000000, -0.0005557900000000, -0.0012237400000000 ] - [ -0.0009006800000000, -0.0005488700000000, -0.0012197400000000 ] - [ -0.0013883300000000, 0.0003534100000000, -0.0004775700000000 ] - [ -0.0014026200000000, 0.0002471900000000, -0.0004873700000000 ] - [ -0.0063143800000000, -0.0020188200000000, -0.0046300200000000 ] - [ -0.0021943100000000, -0.0013564000000000, -0.0002929800000000 ] - [ -0.0019048500000000, -0.0007192400000000, 0.0007949300000000 ] - [ -0.0019270700000000, -0.0007742900000000, 0.0009793100000000 ] - [ -0.0023081200000000, 0.0012105400000000, -0.0006752000000000 ] - [ -0.0023139500000000, 0.0011919000000000, -0.0006564700000000 ] - [ -0.0017780800000000, 0.0009020900000000, 0.0008285000000000 ] - [ -0.0020368900000000, 0.0006145500000000, 0.0009466900000000 ] - [ -0.0005277700000000, 0.0010059200000000, -0.0000327700000000 ] - [ -0.0005061900000000, 0.0010284600000000, 0.0000068800000000 ] - [ -0.0000790200000000, -0.0009536800000000, -0.0008700900000000 ] - [ -0.0004378600000000, -0.0010255200000000, 0.0003275000000000 ]- atom: 51 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0006884700000000, -0.0005425500000000, 0.0008799400000000 ] - [ 0.0006615600000000, -0.0005066100000000, 0.0006475900000000 ] - [ 0.0021182900000000, 0.0058756900000000, -0.0004621700000000 ] - [ 0.0005703700000000, -0.0005051600000000, 0.0001547300000000 ] - [ 0.0006711300000000, 0.0005475200000000, 0.0008682400000000 ] - [ 0.0006510900000000, 0.0004364900000000, 0.0008238700000000 ] - [ 0.0003459700000000, 0.0004798200000000, -0.0000443500000000 ] - [ 0.0003478200000000, 0.0004872800000000, -0.0000454400000000 ] - [ -0.0007247200000000, -0.0011005900000000, -0.0003009000000000 ] - [ -0.0008232300000000, -0.0006543700000000, -0.0001870700000000 ] - [ -0.0006288500000000, -0.0008062900000000, 0.0011111800000000 ] - [ -0.0009497200000000, -0.0005025400000000, 0.0011527400000000 ] - [ -0.0006484900000000, 0.0009120100000000, -0.0002295500000000 ] - [ -0.0006451000000000, 0.0008963900000000, -0.0002169800000000 ] - [ -0.0002363400000000, 0.0007734800000000, 0.0009913000000000 ] - [ -0.0002317800000000, 0.0007571400000000, 0.0009807300000000 ] - [ 0.0200922700000000, 0.0082604700000000, 0.0018387600000000 ] - [ 0.0034924900000000, 0.0020989600000000, -0.0007019600000000 ] - [ 0.0023651100000000, 0.0001128700000000, 0.0010112900000000 ] - [ 0.0023090000000000, 0.0000852600000000, 0.0006441100000000 ] - [ 0.0035441200000000, -0.0021994400000000, -0.0007863400000000 ] - [ 0.0035459300000000, -0.0022037800000000, -0.0007850400000000 ] - [ 0.0023264700000000, -0.0000839500000000, 0.0006328700000000 ] - [ 0.0023455500000000, -0.0001340800000000, 0.0006987700000000 ] - [ 0.0014002400000000, 0.0005729400000000, 0.0002523000000000 ] - [ -0.0012371900000000, -0.0003933600000000, 0.0004160700000000 ] - [ 0.0006850800000000, -0.0019626700000000, -0.0016250900000000 ] - [ 0.0004785000000000, -0.0025799000000000, -0.0012686900000000 ] - [ -0.0013153300000000, 0.0001845000000000, 0.0003366400000000 ] - [ -0.0013204200000000, 0.0001687400000000, 0.0003561700000000 ] - [ 0.0004242100000000, 0.0024181100000000, -0.0014348000000000 ] - [ 0.0004183300000000, 0.0023847300000000, -0.0014490600000000 ] - [ -0.0053694500000000, 0.0012922400000000, -0.0037886100000000 ] - [ -0.0052805500000000, 0.0014471300000000, -0.0038225000000000 ] - [ -0.0002475000000000, 0.0040211400000000, -0.0021809400000000 ] - [ -0.0010375700000000, 0.0007238900000000, -0.0004387500000000 ] - [ 0.0009503800000000, 0.0017428300000000, 0.0027876200000000 ] - [ 0.0008673400000000, 0.0014004200000000, 0.0022183600000000 ] - [ -0.0052696500000000, -0.0014173700000000, -0.0038356900000000 ] - [ -0.0052667500000000, -0.0014054800000000, -0.0038392700000000 ] - [ -0.0009223400000000, -0.0006298700000000, -0.0004444500000000 ] - [ -0.0009244400000000, -0.0006251900000000, -0.0004469200000000 ] - [ -0.0006508800000000, 0.0015048600000000, -0.0021062800000000 ] - [ -0.0006418900000000, 0.0015258600000000, -0.0020696900000000 ] - [ 0.0010098600000000, -0.0013174600000000, 0.0023805800000000 ] - [ 0.0010073600000000, -0.0013131400000000, 0.0023816300000000 ] - [ 0.0035915300000000, 0.0003253900000000, 0.0031387000000000 ] - [ 0.0037181000000000, 0.0003405400000000, 0.0030901400000000 ] - [ -0.0006910400000000, -0.0015829400000000, -0.0020296700000000 ] - [ -0.0006410000000000, -0.0014744700000000, -0.0021271000000000 ] - [ -0.0330852200000000, -0.0156979500000000, -0.0025416600000000 ] - [ 0.0012534800000000, -0.0003823600000000, 0.0015592900000000 ] - [ 0.0037128600000000, -0.0003180300000000, 0.0031074200000000 ] - [ 0.0037139900000000, -0.0003090300000000, 0.0030806400000000 ] - [ 0.0012682400000000, 0.0004841200000000, 0.0015972600000000 ] - [ 0.0012696600000000, 0.0004846100000000, 0.0015958700000000 ] - [ 0.0015202000000000, 0.0032336500000000, 0.0022121500000000 ] - [ -0.0008207300000000, 0.0001821000000000, -0.0024736500000000 ] - [ -0.0025213000000000, -0.0008232000000000, -0.0015368700000000 ] - [ -0.0025761500000000, -0.0005977700000000, -0.0007771100000000 ] - [ -0.0007591300000000, -0.0000884900000000, -0.0023956200000000 ] - [ -0.0007564800000000, -0.0000920700000000, -0.0024006000000000 ] - [ -0.0026024500000000, 0.0007281300000000, -0.0008101300000000 ] - [ -0.0026023800000000, 0.0007273800000000, -0.0008036000000000 ] - [ 0.0016173200000000, 0.0007830400000000, 0.0009799000000000 ] - [ 0.0016661100000000, 0.0007212600000000, 0.0007988000000000 ] - [ 0.0014479000000000, 0.0000300300000000, -0.0001849700000000 ] - [ 0.0014325100000000, 0.0000889400000000, 0.0000339600000000 ] - [ 0.0071104800000000, -0.0051958600000000, 0.0026016000000000 ] - [ 0.0015089000000000, -0.0003340200000000, 0.0000163600000000 ] - [ 0.0044680500000000, -0.0014666600000000, 0.0032066500000000 ] - [ 0.0034117400000000, -0.0009856700000000, 0.0026095800000000 ] - [ 0.0016598000000000, -0.0007588600000000, 0.0008825300000000 ] - [ 0.0016623700000000, -0.0007373100000000, 0.0008688900000000 ] - [ 0.0014058200000000, -0.0000178900000000, -0.0000170400000000 ] - [ 0.0014017900000000, -0.0000051100000000, -0.0000174500000000 ] - [ 0.0013421700000000, 0.0004598800000000, -0.0000750900000000 ] - [ 0.0013443600000000, 0.0004640600000000, -0.0000773000000000 ] - [ 0.0031466500000000, 0.0012320100000000, 0.0029962200000000 ] - [ 0.0031497000000000, 0.0012354900000000, 0.0029946800000000 ] - [ -0.0013623000000000, -0.0012869100000000, -0.0011730900000000 ] - [ -0.0013607400000000, -0.0013164900000000, -0.0011480800000000 ] - [ -0.0013301800000000, 0.0012548000000000, -0.0011787100000000 ] - [ -0.0013769500000000, 0.0013329900000000, -0.0011495400000000 ] - [ -0.0007185800000000, 0.0003304000000000, -0.0009822100000000 ] - [ -0.0009719100000000, 0.0005070800000000, -0.0009762800000000 ] - [ -0.0002837700000000, -0.0011529400000000, -0.0002982200000000 ] - [ -0.0013663300000000, -0.0001544700000000, -0.0003974100000000 ] - [ -0.0009368400000000, -0.0004856800000000, -0.0009930000000000 ] - [ -0.0009421900000000, -0.0005072300000000, -0.0010178500000000 ] - [ -0.0013913200000000, 0.0002947600000000, -0.0002674000000000 ] - [ -0.0013908700000000, 0.0002922600000000, -0.0002673100000000 ] - [ 0.0003745600000000, -0.0011171400000000, -0.0047295300000000 ] - [ -0.0022342500000000, -0.0011383800000000, -0.0005581600000000 ] - [ -0.0019159100000000, -0.0009612300000000, 0.0018769900000000 ] - [ -0.0019806300000000, -0.0006659900000000, 0.0010457400000000 ] - [ -0.0022902800000000, 0.0011863300000000, -0.0004985200000000 ] - [ -0.0022916300000000, 0.0011883500000000, -0.0005038300000000 ] - [ -0.0019928500000000, 0.0007595200000000, 0.0010872000000000 ] - [ -0.0019923900000000, 0.0007644400000000, 0.0010914600000000 ] - [ -0.0004839900000000, 0.0009984400000000, 0.0002769800000000 ] - [ -0.0004955300000000, 0.0010046700000000, 0.0001655900000000 ] - [ -0.0004887000000000, -0.0010175500000000, 0.0002178400000000 ] - [ -0.0004890200000000, -0.0009899200000000, 0.0002196200000000 ]- atom: 51 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0006284400000000, -0.0004404800000000, 0.0008738600000000 ] - [ 0.0006558000000000, -0.0004738200000000, 0.0011053700000000 ] - [ -0.0014421400000000, -0.0067887900000000, 0.0004208400000000 ] - [ 0.0001250100000000, -0.0004660700000000, -0.0001838400000000 ] - [ 0.0006453800000000, 0.0004337800000000, 0.0008853600000000 ] - [ 0.0006656000000000, 0.0005456500000000, 0.0009301900000000 ] - [ 0.0003464900000000, 0.0004908000000000, 0.0000198900000000 ] - [ 0.0003446300000000, 0.0004832800000000, 0.0000210700000000 ] - [ -0.0005712800000000, -0.0007076000000000, -0.0000852700000000 ] - [ -0.0004712200000000, -0.0011574200000000, -0.0001996900000000 ] - [ 0.0001585000000000, -0.0007277400000000, 0.0009201300000000 ] - [ 0.0004805500000000, -0.0010272200000000, 0.0008787600000000 ] - [ -0.0006466600000000, 0.0008987600000000, -0.0001571300000000 ] - [ -0.0006500200000000, 0.0009139300000000, -0.0001696800000000 ] - [ -0.0002317200000000, 0.0007586800000000, 0.0010421400000000 ] - [ -0.0002363600000000, 0.0007751600000000, 0.0010527600000000 ] - [ -0.0136346300000000, -0.0041098800000000, -0.0034723900000000 ] - [ 0.0035995000000000, 0.0023044900000000, -0.0008053000000000 ] - [ 0.0023126600000000, 0.0001127400000000, 0.0003989900000000 ] - [ 0.0023693700000000, 0.0001400300000000, 0.0007659700000000 ] - [ 0.0035486400000000, -0.0022041100000000, -0.0007181300000000 ] - [ 0.0035468400000000, -0.0021997400000000, -0.0007195000000000 ] - [ 0.0023520000000000, -0.0001414100000000, 0.0007782900000000 ] - [ 0.0023328500000000, -0.0000910100000000, 0.0007120200000000 ] - [ -0.0040263400000000, -0.0009343000000000, 0.0005468800000000 ] - [ -0.0013984400000000, 0.0000425700000000, 0.0003645000000000 ] - [ 0.0001645400000000, -0.0028318000000000, -0.0011632600000000 ] - [ 0.0003692900000000, -0.0022117200000000, -0.0015239200000000 ] - [ -0.0013213700000000, 0.0001677800000000, 0.0004455600000000 ] - [ -0.0013163000000000, 0.0001835400000000, 0.0004258400000000 ] - [ 0.0004236300000000, 0.0023739200000000, -0.0013563400000000 ] - [ 0.0004295000000000, 0.0024072300000000, -0.0013426600000000 ] - [ -0.0051672300000000, 0.0015362400000000, -0.0039199700000000 ] - [ -0.0052580400000000, 0.0013787200000000, -0.0038843200000000 ] - [ -0.0015818200000000, -0.0027737100000000, 0.0012630600000000 ] - [ -0.0008065300000000, 0.0005253200000000, -0.0004807000000000 ] - [ 0.0010690300000000, 0.0008931400000000, 0.0019422200000000 ] - [ 0.0011507300000000, 0.0012362300000000, 0.0025113200000000 ] - [ -0.0052686000000000, -0.0014091300000000, -0.0038717800000000 ] - [ -0.0052715600000000, -0.0014211600000000, -0.0038681800000000 ] - [ -0.0009217500000000, -0.0006199700000000, -0.0004752300000000 ] - [ -0.0009196400000000, -0.0006247400000000, -0.0004726600000000 ] - [ -0.0006355500000000, 0.0015073000000000, -0.0021043100000000 ] - [ -0.0006444900000000, 0.0014862300000000, -0.0021405500000000 ] - [ 0.0010081000000000, -0.0013198900000000, 0.0023481900000000 ] - [ 0.0010106200000000, -0.0013241300000000, 0.0023472200000000 ] - [ 0.0038401700000000, 0.0002832600000000, 0.0030035100000000 ] - [ 0.0037127500000000, 0.0002714100000000, 0.0030585600000000 ] - [ -0.0005952500000000, -0.0014287800000000, -0.0021810900000000 ] - [ -0.0006452800000000, -0.0015380700000000, -0.0020827400000000 ] - [ 0.0362483200000000, 0.0150166100000000, 0.0056898700000000 ] - [ 0.0012810900000000, -0.0005802000000000, 0.0016034000000000 ] - [ 0.0037182400000000, -0.0002935900000000, 0.0030403500000000 ] - [ 0.0037170600000000, -0.0003026600000000, 0.0030673900000000 ] - [ 0.0012663600000000, 0.0004772000000000, 0.0015641700000000 ] - [ 0.0012649600000000, 0.0004767200000000, 0.0015656700000000 ] - [ -0.0030456300000000, -0.0030251800000000, -0.0069866500000000 ] - [ -0.0006953100000000, 0.0000028100000000, -0.0023425800000000 ] - [ -0.0026855600000000, -0.0006444400000000, -0.0001024600000000 ] - [ -0.0026304900000000, -0.0008716400000000, -0.0008626500000000 ] - [ -0.0007563100000000, -0.0000973000000000, -0.0024217300000000 ] - [ -0.0007590000000000, -0.0000937000000000, -0.0024167800000000 ] - [ -0.0026034500000000, 0.0007405000000000, -0.0008304400000000 ] - [ -0.0026034700000000, 0.0007411000000000, -0.0008368600000000 ] - [ 0.0017108800000000, 0.0007002300000000, 0.0007350500000000 ] - [ 0.0016617700000000, 0.0007624700000000, 0.0009177300000000 ] - [ 0.0013477100000000, -0.0000014300000000, 0.0001168800000000 ] - [ 0.0013677200000000, -0.0000621000000000, -0.0000991500000000 ] - [ -0.0043515300000000, 0.0041840000000000, -0.0027190300000000 ] - [ 0.0011854000000000, -0.0005943300000000, -0.0001960300000000 ] - [ 0.0018155000000000, -0.0010090300000000, 0.0027363700000000 ] - [ 0.0028741900000000, -0.0014812100000000, 0.0033511700000000 ] - [ 0.0016682600000000, -0.0007250000000000, 0.0008333600000000 ] - [ 0.0016657000000000, -0.0007463800000000, 0.0008472100000000 ] - [ 0.0013939300000000, -0.0000091600000000, -0.0000487900000000 ] - [ 0.0013979700000000, -0.0000221000000000, -0.0000483600000000 ] - [ 0.0013531700000000, 0.0004668800000000, -0.0001052900000000 ] - [ 0.0013509200000000, 0.0004626500000000, -0.0001030100000000 ] - [ 0.0031395500000000, 0.0012334500000000, 0.0029624500000000 ] - [ 0.0031366100000000, 0.0012300500000000, 0.0029640700000000 ] - [ -0.0013740000000000, -0.0013105700000000, -0.0011748200000000 ] - [ -0.0013754700000000, -0.0012813000000000, -0.0011994200000000 ] - [ -0.0014062600000000, 0.0013430700000000, -0.0011688500000000 ] - [ -0.0013593200000000, 0.0012642400000000, -0.0011984100000000 ] - [ -0.0011531200000000, 0.0006710000000000, -0.0010620400000000 ] - [ -0.0008999100000000, 0.0004950100000000, -0.0010676400000000 ] - [ -0.0025129200000000, 0.0005766300000000, -0.0002684300000000 ] - [ -0.0014167400000000, -0.0004347100000000, -0.0001688800000000 ] - [ -0.0009345000000000, -0.0005162100000000, -0.0010517800000000 ] - [ -0.0009291300000000, -0.0004945000000000, -0.0010267000000000 ] - [ -0.0013920300000000, 0.0002931800000000, -0.0003009100000000 ] - [ -0.0013925000000000, 0.0002956400000000, -0.0003009500000000 ] - [ -0.0049899600000000, -0.0012611900000000, 0.0037594800000000 ] - [ -0.0023499500000000, -0.0012393300000000, -0.0004685900000000 ] - [ -0.0020619500000000, -0.0005607200000000, 0.0002656600000000 ] - [ -0.0019928700000000, -0.0008575800000000, 0.0011054200000000 ] - [ -0.0022945500000000, 0.0011904400000000, -0.0005289500000000 ] - [ -0.0022931100000000, 0.0011884000000000, -0.0005236100000000 ] - [ -0.0019807100000000, 0.0007633900000000, 0.0010629800000000 ] - [ -0.0019812500000000, 0.0007584200000000, 0.0010588100000000 ] - [ -0.0004985500000000, 0.0009997600000000, 0.0001176600000000 ] - [ -0.0004869800000000, 0.0009937100000000, 0.0002293100000000 ] - [ -0.0004936700000000, -0.0009810000000000, 0.0001763700000000 ] - [ -0.0004935400000000, -0.0010085400000000, 0.0001751100000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006660500000000, -0.0006679200000000, 0.0011010800000000 ] - [ 0.0007612700000000, -0.0003442100000000, 0.0007175300000000 ] - [ 0.0072732500000000, 0.0158999100000000, -0.0025124200000000 ] - [ 0.0006871500000000, -0.0015272400000000, -0.0005109800000000 ] - [ 0.0006928700000000, 0.0005230600000000, 0.0010397600000000 ] - [ 0.0006376500000000, 0.0004365800000000, 0.0008909400000000 ] - [ 0.0003413800000000, 0.0004814300000000, 0.0000658100000000 ] - [ 0.0003462900000000, 0.0004953100000000, 0.0000604000000000 ] - [ -0.0008102100000000, -0.0012030400000000, -0.0005484000000000 ] - [ -0.0008009700000000, -0.0007992300000000, 0.0001651400000000 ] - [ -0.0008427300000000, -0.0014067400000000, 0.0016465600000000 ] - [ -0.0005799800000000, -0.0005615000000000, 0.0005768500000000 ] - [ -0.0006526400000000, 0.0009342200000000, -0.0001499200000000 ] - [ -0.0006391300000000, 0.0008708500000000, -0.0000976700000000 ] - [ -0.0002381000000000, 0.0007749000000000, 0.0011032900000000 ] - [ -0.0002313200000000, 0.0007593500000000, 0.0010707600000000 ] - [ 0.0092595700000000, 0.0049613500000000, -0.0008303400000000 ] - [ 0.0034267400000000, 0.0014761500000000, -0.0008961600000000 ] - [ 0.0022671600000000, 0.0003618900000000, 0.0009321700000000 ] - [ 0.0023452800000000, -0.0000887000000000, 0.0006646300000000 ] - [ 0.0035464100000000, -0.0021940300000000, -0.0006712300000000 ] - [ 0.0035521000000000, -0.0022098500000000, -0.0006794800000000 ] - [ 0.0023040200000000, 0.0000033000000000, 0.0007682000000000 ] - [ 0.0023634000000000, -0.0001914000000000, 0.0007992000000000 ] - [ -0.0009042700000000, 0.0033822500000000, 0.0004863300000000 ] - [ -0.0012704600000000, -0.0011322000000000, -0.0000587200000000 ] - [ 0.0004849200000000, -0.0012501500000000, -0.0015757800000000 ] - [ 0.0005731300000000, -0.0030451400000000, -0.0010614600000000 ] - [ -0.0013091300000000, 0.0002030900000000, 0.0004857600000000 ] - [ -0.0013278500000000, 0.0001512100000000, 0.0004994500000000 ] - [ 0.0004376100000000, 0.0024605300000000, -0.0012576300000000 ] - [ 0.0004088500000000, 0.0023354100000000, -0.0013156100000000 ] - [ -0.0052432600000000, 0.0014311300000000, -0.0039935800000000 ] - [ -0.0052501100000000, 0.0014651100000000, -0.0037025400000000 ] - [ 0.0028850900000000, 0.0090351900000000, -0.0048023300000000 ] - [ -0.0010676000000000, 0.0010455900000000, -0.0000745200000000 ] - [ 0.0015465500000000, 0.0022500000000000, 0.0036455900000000 ] - [ 0.0007996000000000, 0.0015870500000000, 0.0020872900000000 ] - [ -0.0052767100000000, -0.0014306500000000, -0.0038982500000000 ] - [ -0.0052669900000000, -0.0014050500000000, -0.0038847900000000 ] - [ -0.0009184000000000, -0.0006245800000000, -0.0004929600000000 ] - [ -0.0009209600000000, -0.0006153500000000, -0.0004914500000000 ] - [ -0.0006492300000000, 0.0014409100000000, -0.0022201400000000 ] - [ -0.0006456100000000, 0.0015267700000000, -0.0020961700000000 ] - [ 0.0010139400000000, -0.0013350000000000, 0.0023243200000000 ] - [ 0.0010052800000000, -0.0013185600000000, 0.0023307600000000 ] - [ 0.0037121300000000, -0.0002548600000000, 0.0026329200000000 ] - [ 0.0037363800000000, 0.0004598100000000, 0.0031629000000000 ] - [ -0.0006861900000000, -0.0016041200000000, -0.0021001500000000 ] - [ -0.0006388300000000, -0.0014014000000000, -0.0021845300000000 ] - [ -0.0142149100000000, -0.0367983700000000, 0.0057710100000000 ] - [ 0.0013666200000000, -0.0001224600000000, 0.0016145500000000 ] - [ 0.0037287500000000, -0.0003156800000000, 0.0030565500000000 ] - [ 0.0037150600000000, -0.0002664500000000, 0.0030054800000000 ] - [ 0.0012638300000000, 0.0004690100000000, 0.0015426900000000 ] - [ 0.0012632300000000, 0.0004741400000000, 0.0015450800000000 ] - [ 0.0021888400000000, 0.0018925700000000, 0.0024131300000000 ] - [ -0.0005229700000000, 0.0005378600000000, -0.0024175800000000 ] - [ -0.0024523500000000, -0.0010301000000000, -0.0017897800000000 ] - [ -0.0025037900000000, -0.0003385900000000, -0.0006530900000000 ] - [ -0.0007567900000000, -0.0001012300000000, -0.0024300300000000 ] - [ -0.0007591000000000, -0.0000971300000000, -0.0024360500000000 ] - [ -0.0026049400000000, 0.0007494700000000, -0.0008648200000000 ] - [ -0.0026038800000000, 0.0007467200000000, -0.0008414600000000 ] - [ 0.0017002700000000, 0.0007047800000000, 0.0009504500000000 ] - [ 0.0016345400000000, 0.0007335700000000, 0.0007100400000000 ] - [ 0.0012220100000000, 0.0000070000000000, -0.0002118100000000 ] - [ 0.0014189100000000, 0.0000907000000000, 0.0001402500000000 ] - [ -0.0031797300000000, 0.0026679100000000, -0.0025794900000000 ] - [ 0.0014888600000000, -0.0000178900000000, 0.0004179700000000 ] - [ 0.0030305000000000, -0.0008649700000000, 0.0038637600000000 ] - [ 0.0035088200000000, -0.0005419800000000, 0.0022007900000000 ] - [ 0.0016519300000000, -0.0007650800000000, 0.0008392600000000 ] - [ 0.0016860000000000, -0.0006914800000000, 0.0007914100000000 ] - [ 0.0013868400000000, -0.0000336300000000, -0.0000848400000000 ] - [ 0.0013913800000000, -0.0000052400000000, -0.0000576500000000 ] - [ 0.0013562900000000, 0.0004624700000000, -0.0001251300000000 ] - [ 0.0013585200000000, 0.0004699600000000, -0.0001205000000000 ] - [ 0.0031272100000000, 0.0012238100000000, 0.0029425600000000 ] - [ 0.0031351100000000, 0.0012360000000000, 0.0029407900000000 ] - [ -0.0013783300000000, -0.0012708800000000, -0.0012709300000000 ] - [ -0.0013709700000000, -0.0013028400000000, -0.0011658200000000 ] - [ -0.0013456400000000, 0.0012118600000000, -0.0013604100000000 ] - [ -0.0013751400000000, 0.0013790700000000, -0.0011099900000000 ] - [ -0.0007880600000000, 0.0003095600000000, -0.0008057500000000 ] - [ -0.0009069300000000, 0.0007098800000000, -0.0012335500000000 ] - [ -0.0013462900000000, -0.0006874800000000, -0.0001817500000000 ] - [ -0.0014156600000000, 0.0000509200000000, -0.0000742800000000 ] - [ -0.0009337000000000, -0.0005101700000000, -0.0010339500000000 ] - [ -0.0009227900000000, -0.0005075100000000, -0.0010833700000000 ] - [ -0.0013936100000000, 0.0002970500000000, -0.0003233700000000 ] - [ -0.0013917800000000, 0.0002928300000000, -0.0003215300000000 ] - [ -0.0020426400000000, -0.0021713200000000, -0.0004322800000000 ] - [ -0.0024394800000000, -0.0006808200000000, -0.0004035300000000 ] - [ -0.0022829700000000, -0.0011123400000000, 0.0007835500000000 ] - [ -0.0020838500000000, -0.0004489900000000, 0.0010626800000000 ] - [ -0.0022967400000000, 0.0011842200000000, -0.0005386400000000 ] - [ -0.0022961800000000, 0.0011960000000000, -0.0005466300000000 ] - [ -0.0019753300000000, 0.0007497000000000, 0.0010324600000000 ] - [ -0.0019727600000000, 0.0007666500000000, 0.0010512800000000 ] - [ -0.0005114000000000, 0.0008649500000000, 0.0002905700000000 ] - [ -0.0004770900000000, 0.0010750300000000, 0.0000682600000000 ] - [ -0.0004742200000000, -0.0010425200000000, 0.0001461300000000 ] - [ -0.0005069000000000, -0.0009699800000000, 0.0001668900000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006510700000000, -0.0003166500000000, 0.0006529400000000 ] - [ 0.0005554600000000, -0.0006348900000000, 0.0010354600000000 ] - [ -0.0063091100000000, -0.0163367200000000, 0.0023674100000000 ] - [ 0.0000038300000000, 0.0005544900000000, 0.0004836700000000 ] - [ 0.0006242300000000, 0.0004590500000000, 0.0007145000000000 ] - [ 0.0006789700000000, 0.0005444200000000, 0.0008623200000000 ] - [ 0.0003512000000000, 0.0004891800000000, -0.0000901000000000 ] - [ 0.0003463300000000, 0.0004754200000000, -0.0000846000000000 ] - [ -0.0004847100000000, -0.0006105500000000, 0.0001590500000000 ] - [ -0.0004964700000000, -0.0010090900000000, -0.0005507200000000 ] - [ 0.0003806300000000, -0.0001317500000000, 0.0003840700000000 ] - [ 0.0001120200000000, -0.0009605100000000, 0.0014524700000000 ] - [ -0.0006425900000000, 0.0008769200000000, -0.0002367300000000 ] - [ -0.0006559400000000, 0.0009393100000000, -0.0002888700000000 ] - [ -0.0002299500000000, 0.0007571800000000, 0.0009305900000000 ] - [ -0.0002366900000000, 0.0007726100000000, 0.0009628300000000 ] - [ -0.0022117600000000, -0.0005310800000000, -0.0006876000000000 ] - [ 0.0036649900000000, 0.0029242500000000, -0.0006104400000000 ] - [ 0.0024110100000000, -0.0001368300000000, 0.0004829100000000 ] - [ 0.0023331600000000, 0.0003140700000000, 0.0007441200000000 ] - [ 0.0035466100000000, -0.0022097700000000, -0.0008329800000000 ] - [ 0.0035409800000000, -0.0021940000000000, -0.0008248300000000 ] - [ 0.0023739800000000, -0.0002280500000000, 0.0006425500000000 ] - [ 0.0023150500000000, -0.0000346300000000, 0.0006119200000000 ] - [ -0.0017294000000000, -0.0037628300000000, 0.0003536300000000 ] - [ -0.0013671800000000, 0.0007767300000000, 0.0008339900000000 ] - [ 0.0003648300000000, -0.0035344600000000, -0.0012257500000000 ] - [ 0.0002768600000000, -0.0017514100000000, -0.0017273800000000 ] - [ -0.0013273600000000, 0.0001499700000000, 0.0002964700000000 ] - [ -0.0013088400000000, 0.0002014100000000, 0.0002829300000000 ] - [ 0.0004103300000000, 0.0023316300000000, -0.0015328700000000 ] - [ 0.0004389100000000, 0.0024564200000000, -0.0014760100000000 ] - [ -0.0052914500000000, 0.0013999700000000, -0.0037192100000000 ] - [ -0.0052881200000000, 0.0013606700000000, -0.0040036200000000 ] - [ -0.0048160900000000, -0.0079628100000000, 0.0039927300000000 ] - [ -0.0007764000000000, 0.0002079900000000, -0.0008413700000000 ] - [ 0.0004617100000000, 0.0003732300000000, 0.0010700200000000 ] - [ 0.0012166700000000, 0.0010503100000000, 0.0026413300000000 ] - [ -0.0052615000000000, -0.0013964600000000, -0.0038098200000000 ] - [ -0.0052711800000000, -0.0014219000000000, -0.0038232000000000 ] - [ -0.0009256500000000, -0.0006256100000000, -0.0004267200000000 ] - [ -0.0009231100000000, -0.0006348000000000, -0.0004281600000000 ] - [ -0.0006373000000000, 0.0015716100000000, -0.0019903500000000 ] - [ -0.0006406000000000, 0.0014857400000000, -0.0021134000000000 ] - [ 0.0010041000000000, -0.0013027300000000, 0.0024042900000000 ] - [ 0.0010127500000000, -0.0013190100000000, 0.0023980200000000 ] - [ 0.0037184700000000, 0.0008651900000000, 0.0035118500000000 ] - [ 0.0036946800000000, 0.0001527900000000, 0.0029862600000000 ] - [ -0.0006005200000000, -0.0014093600000000, -0.0021092200000000 ] - [ -0.0006472800000000, -0.0016106100000000, -0.0020256800000000 ] - [ 0.0164949100000000, 0.0355035000000000, -0.0026513400000000 ] - [ 0.0011685800000000, -0.0008376700000000, 0.0015476600000000 ] - [ 0.0037024500000000, -0.0002959400000000, 0.0030909400000000 ] - [ 0.0037160000000000, -0.0003448400000000, 0.0031416900000000 ] - [ 0.0012706300000000, 0.0004922600000000, 0.0016187600000000 ] - [ 0.0012712600000000, 0.0004871500000000, 0.0016164500000000 ] - [ -0.0036789500000000, -0.0017057200000000, -0.0071895000000000 ] - [ -0.0009922200000000, -0.0003489500000000, -0.0024000400000000 ] - [ -0.0027506400000000, -0.0004411600000000, 0.0001401200000000 ] - [ -0.0027019100000000, -0.0011267600000000, -0.0009855100000000 ] - [ -0.0007587900000000, -0.0000843800000000, -0.0023875800000000 ] - [ -0.0007564900000000, -0.0000884900000000, -0.0023817000000000 ] - [ -0.0026011600000000, 0.0007193100000000, -0.0007758400000000 ] - [ -0.0026020900000000, 0.0007218000000000, -0.0007989100000000 ] - [ 0.0016272100000000, 0.0007791600000000, 0.0007671300000000 ] - [ 0.0016927600000000, 0.0007498400000000, 0.0010050000000000 ] - [ 0.0015747000000000, 0.0000228800000000, 0.0001422600000000 ] - [ 0.0013812400000000, -0.0000647300000000, -0.0002045300000000 ] - [ 0.0059320700000000, -0.0036114800000000, 0.0024343800000000 ] - [ 0.0012073900000000, -0.0009069200000000, -0.0005931300000000 ] - [ 0.0032628400000000, -0.0016014000000000, 0.0020933300000000 ] - [ 0.0027818100000000, -0.0019158000000000, 0.0037488500000000 ] - [ 0.0016756500000000, -0.0007190200000000, 0.0008768400000000 ] - [ 0.0016416300000000, -0.0007921600000000, 0.0009248500000000 ] - [ 0.0014125600000000, 0.0000062300000000, 0.0000181700000000 ] - [ 0.0014079900000000, -0.0000219800000000, -0.0000088100000000 ] - [ 0.0013387800000000, 0.0004642700000000, -0.0000550600000000 ] - [ 0.0013365400000000, 0.0004568200000000, -0.0000595900000000 ] - [ 0.0031587800000000, 0.0012416400000000, 0.0030158600000000 ] - [ 0.0031510500000000, 0.0012296000000000, 0.0030177800000000 ] - [ -0.0013580100000000, -0.0013260300000000, -0.0010771000000000 ] - [ -0.0013654500000000, -0.0012952300000000, -0.0011812200000000 ] - [ -0.0013903800000000, 0.0013849100000000, -0.0009880600000000 ] - [ -0.0013614100000000, 0.0012190200000000, -0.0012368900000000 ] - [ -0.0010823000000000, 0.0006895700000000, -0.0012393400000000 ] - [ -0.0009651400000000, 0.0002925100000000, -0.0008106100000000 ] - [ -0.0014366000000000, 0.0000941100000000, -0.0003832500000000 ] - [ -0.0013675800000000, -0.0006341600000000, -0.0004923500000000 ] - [ -0.0009378400000000, -0.0004914300000000, -0.0010111000000000 ] - [ -0.0009486500000000, -0.0004944200000000, -0.0009619600000000 ] - [ -0.0013897300000000, 0.0002909100000000, -0.0002450000000000 ] - [ -0.0013915700000000, 0.0002950100000000, -0.0002468200000000 ] - [ -0.0025187700000000, -0.0002071300000000, -0.0006207800000000 ] - [ -0.0021449900000000, -0.0016957800000000, -0.0006225500000000 ] - [ -0.0016905800000000, -0.0004160000000000, 0.0013677200000000 ] - [ -0.0018899500000000, -0.0010722200000000, 0.0010880200000000 ] - [ -0.0022878200000000, 0.0011926400000000, -0.0004889700000000 ] - [ -0.0022883300000000, 0.0011809500000000, -0.0004810500000000 ] - [ -0.0019980800000000, 0.0007732800000000, 0.0011176600000000 ] - [ -0.0020007600000000, 0.0007562900000000, 0.0010990200000000 ] - [ -0.0004711500000000, 0.0011331900000000, 0.0001050200000000 ] - [ -0.0005053600000000, 0.0009238700000000, 0.0003259500000000 ] - [ -0.0005081600000000, -0.0009564600000000, 0.0002481600000000 ] - [ -0.0004755800000000, -0.0010285600000000, 0.0002282800000000 ]- atom: 51 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0006370700000000, -0.0001785200000000, 0.0005280700000000 ] - [ 0.0006697000000000, -0.0009179400000000, 0.0004912800000000 ] - [ -0.0003765100000000, -0.0023822800000000, 0.0017435500000000 ] - [ 0.0003751400000000, -0.0007782000000000, 0.0010948300000000 ] - [ 0.0006298100000000, 0.0006528500000000, 0.0004705800000000 ] - [ 0.0006441300000000, 0.0004015800000000, 0.0005765900000000 ] - [ 0.0003588700000000, 0.0004796000000000, -0.0003339800000000 ] - [ 0.0003530000000000, 0.0004628100000000, -0.0003320300000000 ] - [ -0.0008259000000000, -0.0013190900000000, -0.0001944700000000 ] - [ -0.0005227700000000, -0.0001994300000000, -0.0002228100000000 ] - [ 0.0000390100000000, -0.0002029600000000, 0.0013190800000000 ] - [ -0.0006805600000000, -0.0017646500000000, 0.0018372300000000 ] - [ -0.0006385300000000, 0.0008562900000000, -0.0004996200000000 ] - [ -0.0006652100000000, 0.0009779900000000, -0.0004903100000000 ] - [ -0.0002348700000000, 0.0007773000000000, 0.0007105100000000 ] - [ -0.0002264300000000, 0.0007442400000000, 0.0007227900000000 ] - [ 0.0045189800000000, 0.0018916000000000, 0.0011762600000000 ] - [ 0.0036099800000000, 0.0024337500000000, -0.0000858800000000 ] - [ 0.0023924900000000, 0.0002123600000000, -0.0000252700000000 ] - [ 0.0022805300000000, 0.0001217100000000, 0.0006311000000000 ] - [ 0.0035352800000000, -0.0022021700000000, -0.0010973200000000 ] - [ 0.0035340300000000, -0.0022005300000000, -0.0010612600000000 ] - [ 0.0023508900000000, -0.0002025500000000, 0.0002487700000000 ] - [ 0.0023532600000000, -0.0000911800000000, 0.0004494200000000 ] - [ -0.0014028300000000, -0.0008908700000000, 0.0060609900000000 ] - [ -0.0013640700000000, -0.0000968200000000, 0.0011048200000000 ] - [ 0.0007519100000000, -0.0032317200000000, -0.0025232100000000 ] - [ 0.0004285200000000, -0.0021529400000000, -0.0013811900000000 ] - [ -0.0013222300000000, 0.0001627800000000, -0.0000713500000000 ] - [ -0.0013136500000000, 0.0001838000000000, -0.0000133500000000 ] - [ 0.0004048600000000, 0.0024119400000000, -0.0019212900000000 ] - [ 0.0004317800000000, 0.0024025700000000, -0.0017779400000000 ] - [ -0.0056391900000000, 0.0009205700000000, -0.0036520100000000 ] - [ -0.0052376400000000, 0.0015474700000000, -0.0039840000000000 ] - [ -0.0024100200000000, -0.0032065200000000, 0.0000023000000000 ] - [ -0.0007015500000000, 0.0005161600000000, -0.0008969700000000 ] - [ 0.0016625900000000, 0.0026041800000000, 0.0029467200000000 ] - [ 0.0010101500000000, 0.0011659900000000, 0.0022852800000000 ] - [ -0.0052612800000000, -0.0013988500000000, -0.0036747700000000 ] - [ -0.0052601300000000, -0.0013945900000000, -0.0037166600000000 ] - [ -0.0009322600000000, -0.0006486200000000, -0.0003135300000000 ] - [ -0.0009343800000000, -0.0006466800000000, -0.0003311700000000 ] - [ -0.0006008500000000, 0.0015714100000000, -0.0018555200000000 ] - [ -0.0006470800000000, 0.0015981200000000, -0.0019478600000000 ] - [ 0.0010028500000000, -0.0012767500000000, 0.0025422900000000 ] - [ 0.0010105300000000, -0.0012941700000000, 0.0025053900000000 ] - [ 0.0036165500000000, 0.0009643700000000, 0.0037957300000000 ] - [ 0.0037122800000000, 0.0002156700000000, 0.0029505100000000 ] - [ -0.0006196700000000, -0.0015989700000000, -0.0018541700000000 ] - [ -0.0006339900000000, -0.0015483900000000, -0.0020488000000000 ] - [ -0.0017073500000000, 0.0043305600000000, -0.0205518900000000 ] - [ 0.0012456600000000, -0.0004508100000000, 0.0012547700000000 ] - [ 0.0036714100000000, -0.0003531000000000, 0.0032711700000000 ] - [ 0.0037041100000000, -0.0003929500000000, 0.0032497300000000 ] - [ 0.0012840000000000, 0.0005183100000000, 0.0017432900000000 ] - [ 0.0012824900000000, 0.0005160300000000, 0.0017303400000000 ] - [ 0.0040534300000000, 0.0051686800000000, 0.0023851100000000 ] - [ -0.0008716700000000, -0.0000292900000000, -0.0026013600000000 ] - [ -0.0035674000000000, -0.0015889700000000, 0.0007286400000000 ] - [ -0.0025743700000000, -0.0007595100000000, -0.0009587000000000 ] - [ -0.0007620800000000, -0.0000582300000000, -0.0022996400000000 ] - [ -0.0007512800000000, -0.0000763800000000, -0.0023098000000000 ] - [ -0.0025849000000000, 0.0006525200000000, -0.0006628000000000 ] - [ -0.0026090400000000, 0.0006926400000000, -0.0006982500000000 ] - [ 0.0015773600000000, 0.0008771900000000, 0.0010003800000000 ] - [ 0.0017192300000000, 0.0006516600000000, 0.0009000500000000 ] - [ 0.0019629400000000, -0.0003959700000000, 0.0002356600000000 ] - [ 0.0013676200000000, 0.0001797400000000, -0.0001668700000000 ] - [ 0.0047636500000000, -0.0027679700000000, -0.0000139500000000 ] - [ 0.0012786500000000, -0.0007118800000000, -0.0006905400000000 ] - [ 0.0023544200000000, -0.0005184400000000, 0.0032054800000000 ] - [ 0.0030509200000000, -0.0013584400000000, 0.0028877100000000 ] - [ 0.0016481000000000, -0.0007805900000000, 0.0010433400000000 ] - [ 0.0016328900000000, -0.0008226300000000, 0.0010139900000000 ] - [ 0.0014593400000000, 0.0000068300000000, 0.0001513900000000 ] - [ 0.0014354100000000, 0.0000110300000000, 0.0001092400000000 ] - [ 0.0013017500000000, 0.0004496900000000, 0.0000580500000000 ] - [ 0.0013089500000000, 0.0004518000000000, 0.0000394900000000 ] - [ 0.0032021600000000, 0.0012499000000000, 0.0031508000000000 ] - [ 0.0031862400000000, 0.0012381700000000, 0.0031247400000000 ] - [ -0.0013856000000000, -0.0014204600000000, -0.0009399500000000 ] - [ -0.0013291200000000, -0.0012623200000000, -0.0010312100000000 ] - [ -0.0013432000000000, 0.0012948600000000, -0.0008015500000000 ] - [ -0.0013594400000000, 0.0013715900000000, -0.0010463600000000 ] - [ -0.0009402900000000, 0.0006868600000000, -0.0008126800000000 ] - [ -0.0009547200000000, 0.0002919300000000, -0.0009467300000000 ] - [ -0.0013307100000000, -0.0004703500000000, -0.0009189500000000 ] - [ -0.0014176600000000, -0.0003680800000000, -0.0007699200000000 ] - [ -0.0009411000000000, -0.0004175600000000, -0.0008570000000000 ] - [ -0.0009845200000000, -0.0005073800000000, -0.0008716500000000 ] - [ -0.0013878300000000, 0.0002861100000000, -0.0001187000000000 ] - [ -0.0013873400000000, 0.0002929800000000, -0.0001232200000000 ] - [ -0.0066009300000000, -0.0011677200000000, 0.0028372500000000 ] - [ -0.0022965000000000, -0.0013493500000000, -0.0007055300000000 ] - [ -0.0008009500000000, -0.0008377900000000, 0.0028755800000000 ] - [ -0.0019171600000000, -0.0007430700000000, 0.0009391900000000 ] - [ -0.0022727600000000, 0.0011843900000000, -0.0003846900000000 ] - [ -0.0022802100000000, 0.0011745900000000, -0.0003959600000000 ] - [ -0.0020525300000000, 0.0007653300000000, 0.0012306000000000 ] - [ -0.0020294100000000, 0.0007806000000000, 0.0012009400000000 ] - [ -0.0004404700000000, 0.0010956800000000, 0.0003731400000000 ] - [ -0.0005351300000000, 0.0009076900000000, 0.0002865600000000 ] - [ -0.0004682300000000, -0.0009646200000000, 0.0004463000000000 ] - [ -0.0004694600000000, -0.0010051900000000, 0.0003176100000000 ]- atom: 51 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0006802800000000, -0.0008010900000000, 0.0012235300000000 ] - [ 0.0006473900000000, -0.0000655600000000, 0.0012611200000000 ] - [ 0.0010558900000000, 0.0013728300000000, -0.0017500300000000 ] - [ 0.0003177700000000, -0.0001945800000000, -0.0011205700000000 ] - [ 0.0006880500000000, 0.0003278200000000, 0.0012819500000000 ] - [ 0.0006731900000000, 0.0005803300000000, 0.0011752100000000 ] - [ 0.0003337000000000, 0.0004909500000000, 0.0003083200000000 ] - [ 0.0003394800000000, 0.0005073400000000, 0.0003065200000000 ] - [ -0.0004677900000000, -0.0004909300000000, -0.0001938500000000 ] - [ -0.0007734900000000, -0.0016178000000000, -0.0001692600000000 ] - [ -0.0005060300000000, -0.0013278600000000, 0.0007177100000000 ] - [ 0.0002111100000000, 0.0002317500000000, 0.0002017400000000 ] - [ -0.0006563200000000, 0.0009541400000000, 0.0001118100000000 ] - [ -0.0006298200000000, 0.0008331500000000, 0.0001024200000000 ] - [ -0.0002329000000000, 0.0007546900000000, 0.0013220300000000 ] - [ -0.0002414000000000, 0.0007880100000000, 0.0013095700000000 ] - [ 0.0026192500000000, 0.0025200800000000, -0.0026640500000000 ] - [ 0.0034837000000000, 0.0019724300000000, -0.0014198100000000 ] - [ 0.0022856300000000, 0.0000125300000000, 0.0014327400000000 ] - [ 0.0023973900000000, 0.0001041700000000, 0.0007796200000000 ] - [ 0.0035578800000000, -0.0022014600000000, -0.0004082000000000 ] - [ 0.0035591400000000, -0.0022030900000000, -0.0004441300000000 ] - [ 0.0023268100000000, -0.0000221200000000, 0.0011614200000000 ] - [ 0.0023249000000000, -0.0001343600000000, 0.0009596100000000 ] - [ -0.0011907500000000, 0.0003985800000000, -0.0048090200000000 ] - [ -0.0012720000000000, -0.0002532500000000, -0.0003194800000000 ] - [ 0.0000935800000000, -0.0015545700000000, -0.0002627800000000 ] - [ 0.0004185100000000, -0.0026379700000000, -0.0014156700000000 ] - [ -0.0013141200000000, 0.0001899400000000, 0.0008518200000000 ] - [ -0.0013228400000000, 0.0001686600000000, 0.0007937000000000 ] - [ 0.0004428600000000, 0.0023797600000000, -0.0008722200000000 ] - [ 0.0004161900000000, 0.0023892600000000, -0.0010149100000000 ] - [ -0.0049035200000000, 0.0019032900000000, -0.0040559700000000 ] - [ -0.0052998200000000, 0.0012800700000000, -0.0037254900000000 ] - [ 0.0005614700000000, 0.0044364400000000, -0.0009255500000000 ] - [ -0.0011402300000000, 0.0007320300000000, -0.0000241500000000 ] - [ 0.0003467400000000, 0.0000154300000000, 0.0017751400000000 ] - [ 0.0010097500000000, 0.0014700400000000, 0.0024458700000000 ] - [ -0.0052762300000000, -0.0014283600000000, -0.0040333700000000 ] - [ -0.0052774200000000, -0.0014326200000000, -0.0039913200000000 ] - [ -0.0009112500000000, -0.0006019000000000, -0.0006051300000000 ] - [ -0.0009091100000000, -0.0006039000000000, -0.0005874000000000 ] - [ -0.0006849600000000, 0.0014421200000000, -0.0023526400000000 ] - [ -0.0006389300000000, 0.0014153400000000, -0.0022609700000000 ] - [ 0.0010156000000000, -0.0013609400000000, 0.0021864500000000 ] - [ 0.0010080300000000, -0.0013436600000000, 0.0022231200000000 ] - [ 0.0038153300000000, -0.0003488700000000, 0.0023558200000000 ] - [ 0.0037192000000000, 0.0003946500000000, 0.0031949800000000 ] - [ -0.0006660800000000, -0.0014144000000000, -0.0023528800000000 ] - [ -0.0006516800000000, -0.0014654400000000, -0.0021588100000000 ] - [ 0.0041399300000000, -0.0051506000000000, 0.0231654500000000 ] - [ 0.0012891300000000, -0.0005118100000000, 0.0019072300000000 ] - [ 0.0037602600000000, -0.0002582300000000, 0.0028760300000000 ] - [ 0.0037273000000000, -0.0002180700000000, 0.0028974500000000 ] - [ 0.0012508200000000, 0.0004435900000000, 0.0014192100000000 ] - [ 0.0012523200000000, 0.0004459200000000, 0.0014321900000000 ] - [ -0.0054948000000000, -0.0049150400000000, -0.0071214500000000 ] - [ -0.0006447400000000, 0.0002135800000000, -0.0022162100000000 ] - [ -0.0016122400000000, 0.0001465500000000, -0.0024070800000000 ] - [ -0.0026323400000000, -0.0007102500000000, -0.0006813600000000 ] - [ -0.0007540100000000, -0.0001265200000000, -0.0025172900000000 ] - [ -0.0007648900000000, -0.0001082300000000, -0.0025071700000000 ] - [ -0.0026214900000000, 0.0008166300000000, -0.0009777000000000 ] - [ -0.0025974900000000, 0.0007767000000000, -0.0009424800000000 ] - [ 0.0017499500000000, 0.0006075000000000, 0.0007178000000000 ] - [ 0.0016076100000000, 0.0008341100000000, 0.0008180700000000 ] - [ 0.0008437200000000, 0.0004202700000000, -0.0002994800000000 ] - [ 0.0014314300000000, -0.0001516200000000, 0.0000992100000000 ] - [ -0.0020546700000000, 0.0018339400000000, -0.0001761300000000 ] - [ 0.0014154900000000, -0.0002160700000000, 0.0005095900000000 ] - [ 0.0039482200000000, -0.0019561300000000, 0.0027481100000000 ] - [ 0.0032329300000000, -0.0011105600000000, 0.0030763500000000 ] - [ 0.0016794200000000, -0.0007036900000000, 0.0006736600000000 ] - [ 0.0016944300000000, -0.0006620300000000, 0.0007031000000000 ] - [ 0.0013396800000000, -0.0000344500000000, -0.0002180800000000 ] - [ 0.0013637400000000, -0.0000386500000000, -0.0001756200000000 ] - [ 0.0013926700000000, 0.0004764200000000, -0.0002372900000000 ] - [ 0.0013854000000000, 0.0004742400000000, -0.0002186100000000 ] - [ 0.0030838000000000, 0.0012151600000000, 0.0028077800000000 ] - [ 0.0030996800000000, 0.0012268300000000, 0.0028337800000000 ] - [ -0.0013509400000000, -0.0011771400000000, -0.0014065800000000 ] - [ -0.0014070200000000, -0.0013344800000000, -0.0013158800000000 ] - [ -0.0013933700000000, 0.0013028500000000, -0.0015475300000000 ] - [ -0.0013770100000000, 0.0012256400000000, -0.0013003900000000 ] - [ -0.0009314800000000, 0.0003153200000000, -0.0012327300000000 ] - [ -0.0009171100000000, 0.0007076500000000, -0.0010987700000000 ] - [ -0.0014488000000000, -0.0001215400000000, 0.0003529300000000 ] - [ -0.0013655100000000, -0.0002201400000000, 0.0002019100000000 ] - [ -0.0009306500000000, -0.0005835100000000, -0.0011879600000000 ] - [ -0.0008869500000000, -0.0004931400000000, -0.0011732600000000 ] - [ -0.0013954800000000, 0.0003021700000000, -0.0004490300000000 ] - [ -0.0013959800000000, 0.0002954100000000, -0.0004445400000000 ] - [ 0.0019482300000000, -0.0012124800000000, -0.0038101700000000 ] - [ -0.0022873400000000, -0.0010291800000000, -0.0003225700000000 ] - [ -0.0032056000000000, -0.0006795200000000, -0.0007671200000000 ] - [ -0.0020558500000000, -0.0007812400000000, 0.0012118800000000 ] - [ -0.0023112500000000, 0.0011929000000000, -0.0006422700000000 ] - [ -0.0023036900000000, 0.0012028100000000, -0.0006310300000000 ] - [ -0.0019204100000000, 0.0007580000000000, 0.0009197800000000 ] - [ -0.0019434400000000, 0.0007427800000000, 0.0009492700000000 ] - [ -0.0005414100000000, 0.0009026400000000, 0.0000232700000000 ] - [ -0.0004463000000000, 0.0010916200000000, 0.0001097500000000 ] - [ -0.0005136000000000, -0.0010340800000000, -0.0000503600000000 ] - [ -0.0005124200000000, -0.0009939100000000, 0.0000777700000000 ]- atom: 57 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0007696100000000, -0.0008289600000000, 0.0009875000000000 ] - [ 0.0010343500000000, 0.0000428300000000, 0.0006744600000000 ] - [ 0.0014942600000000, -0.0000196400000000, 0.0011776600000000 ] - [ 0.0004909800000000, -0.0009245300000000, -0.0000299500000000 ] - [ 0.0006637600000000, 0.0005262600000000, 0.0008841300000000 ] - [ 0.0006505700000000, 0.0004582000000000, 0.0008654400000000 ] - [ 0.0003408100000000, 0.0004640900000000, -0.0000049100000000 ] - [ 0.0003511300000000, 0.0005058700000000, -0.0000243600000000 ] - [ -0.0006949700000000, -0.0010323000000000, -0.0002683900000000 ] - [ -0.0006067100000000, -0.0008035900000000, 0.0001141200000000 ] - [ -0.0004881000000000, -0.0012232000000000, 0.0010081300000000 ] - [ 0.0110994900000000, 0.0063307900000000, 0.0025193800000000 ] - [ -0.0006680100000000, 0.0010022900000000, -0.0002563100000000 ] - [ -0.0006354300000000, 0.0008268400000000, -0.0001667900000000 ] - [ -0.0002362000000000, 0.0007747400000000, 0.0010160700000000 ] - [ -0.0002316000000000, 0.0007573500000000, 0.0010133600000000 ] - [ 0.0028078000000000, 0.0025794900000000, -0.0008089700000000 ] - [ 0.0033195100000000, 0.0019033400000000, -0.0004933600000000 ] - [ 0.0017474900000000, 0.0005090900000000, 0.0008675400000000 ] - [ 0.0022961100000000, -0.0001945300000000, 0.0004523500000000 ] - [ 0.0035434000000000, -0.0021924500000000, -0.0007395000000000 ] - [ 0.0035496800000000, -0.0022104100000000, -0.0007700000000000 ] - [ 0.0023312300000000, -0.0000971000000000, 0.0006824500000000 ] - [ 0.0023489200000000, -0.0001288600000000, 0.0007224400000000 ] - [ 0.0034199300000000, 0.0081262800000000, -0.0000791700000000 ] - [ -0.0009973100000000, -0.0008551600000000, 0.0004103100000000 ] - [ 0.0004469400000000, -0.0022702500000000, -0.0016601800000000 ] - [ 0.0004355000000000, -0.0025503700000000, -0.0012641400000000 ] - [ -0.0013158100000000, 0.0001826600000000, 0.0003867300000000 ] - [ -0.0013212000000000, 0.0001693900000000, 0.0003892900000000 ] - [ 0.0004557300000000, 0.0025374800000000, -0.0012750000000000 ] - [ 0.0004034100000000, 0.0023073200000000, -0.0014778600000000 ] - [ -0.0047588600000000, 0.0017751600000000, -0.0046373800000000 ] - [ -0.0044638000000000, 0.0017125300000000, -0.0032768400000000 ] - [ -0.0005604400000000, 0.0009753100000000, 0.0000857400000000 ] - [ 0.0008379100000000, -0.0004066900000000, -0.0002585700000000 ] - [ 0.0010716700000000, 0.0014248600000000, 0.0025519600000000 ] - [ 0.0010486800000000, 0.0013977700000000, 0.0022060900000000 ] - [ -0.0052708100000000, -0.0014175600000000, -0.0038513800000000 ] - [ -0.0052678400000000, -0.0014088400000000, -0.0038538000000000 ] - [ -0.0009222400000000, -0.0006293000000000, -0.0004587800000000 ] - [ -0.0009218700000000, -0.0006205400000000, -0.0004596900000000 ] - [ -0.0006470000000000, 0.0014859400000000, -0.0022878600000000 ] - [ -0.0006312600000000, 0.0015710900000000, -0.0019904600000000 ] - [ 0.0010177200000000, -0.0013363700000000, 0.0023522700000000 ] - [ 0.0009997000000000, -0.0013007000000000, 0.0023786600000000 ] - [ 0.0056955700000000, 0.0015750200000000, -0.0014186400000000 ] - [ 0.0037042900000000, 0.0005819000000000, 0.0032230500000000 ] - [ -0.0006476000000000, -0.0015350200000000, -0.0020800800000000 ] - [ -0.0006421200000000, -0.0014720500000000, -0.0021385600000000 ] - [ 0.0035535100000000, 0.0024370400000000, 0.0064154300000000 ] - [ 0.0012048000000000, -0.0002456900000000, 0.0014646200000000 ] - [ 0.0037140300000000, -0.0003090300000000, 0.0030830100000000 ] - [ 0.0037163400000000, -0.0003038200000000, 0.0030680800000000 ] - [ 0.0012661700000000, 0.0004797600000000, 0.0015765300000000 ] - [ 0.0012687500000000, 0.0004821300000000, 0.0015875400000000 ] - [ -0.0280584700000000, -0.0203502900000000, -0.0051129800000000 ] - [ -0.0006824300000000, 0.0004076700000000, -0.0024171700000000 ] - [ -0.0027060300000000, -0.0008543100000000, -0.0008444200000000 ] - [ -0.0025578000000000, -0.0006351500000000, -0.0007950300000000 ] - [ -0.0007583200000000, -0.0000905100000000, -0.0024071800000000 ] - [ -0.0007560800000000, -0.0000953500000000, -0.0024088000000000 ] - [ -0.0026158800000000, 0.0007464300000000, -0.0008533300000000 ] - [ -0.0025959100000000, 0.0007168900000000, -0.0007885800000000 ] - [ 0.0016593000000000, 0.0007548800000000, 0.0008949700000000 ] - [ 0.0016656100000000, 0.0007265600000000, 0.0008124300000000 ] - [ 0.0010218200000000, -0.0000008900000000, -0.0002108500000000 ] - [ 0.0013249700000000, 0.0003392200000000, 0.0002377600000000 ] - [ 0.0010204300000000, -0.0007427200000000, -0.0000256900000000 ] - [ 0.0015092100000000, 0.0007484300000000, -0.0006503400000000 ] - [ 0.0031387800000000, -0.0011932500000000, 0.0030535000000000 ] - [ 0.0030502300000000, -0.0012746600000000, 0.0029102500000000 ] - [ 0.0016096500000000, -0.0008251300000000, 0.0008913000000000 ] - [ 0.0016817500000000, -0.0006873600000000, 0.0008388800000000 ] - [ 0.0014013900000000, -0.0000179900000000, -0.0000321800000000 ] - [ 0.0013997200000000, -0.0000085500000000, -0.0000306600000000 ] - [ 0.0013483400000000, 0.0004587300000000, -0.0000900500000000 ] - [ 0.0013469500000000, 0.0004681100000000, -0.0000885800000000 ] - [ 0.0031343600000000, 0.0012202700000000, 0.0029737600000000 ] - [ 0.0031537800000000, 0.0012460600000000, 0.0029860000000000 ] - [ -0.0013474100000000, -0.0012225800000000, -0.0012639300000000 ] - [ -0.0013935500000000, -0.0013245400000000, -0.0010532000000000 ] - [ -0.0013636200000000, 0.0012608000000000, -0.0011819800000000 ] - [ -0.0013713900000000, 0.0013255800000000, -0.0011574400000000 ] - [ -0.0004071100000000, 0.0001003600000000, 0.0003051800000000 ] - [ -0.0009041300000000, 0.0007408900000000, -0.0010711900000000 ] - [ -0.0005900800000000, -0.0002232000000000, -0.0018447100000000 ] - [ -0.0013149900000000, -0.0000639400000000, -0.0002537000000000 ] - [ -0.0009329200000000, -0.0004928200000000, -0.0010138900000000 ] - [ -0.0009379100000000, -0.0005091700000000, -0.0010287900000000 ] - [ -0.0013920700000000, 0.0003029500000000, -0.0002890500000000 ] - [ -0.0013911900000000, 0.0002856900000000, -0.0002774100000000 ] - [ 0.0000235100000000, -0.0020378100000000, -0.0004024700000000 ] - [ -0.0023036700000000, -0.0010099000000000, -0.0005478100000000 ] - [ -0.0018252000000000, -0.0009438600000000, 0.0011614400000000 ] - [ -0.0020116500000000, -0.0006798100000000, 0.0010300500000000 ] - [ -0.0022911300000000, 0.0011877600000000, -0.0005130800000000 ] - [ -0.0022925200000000, 0.0011885800000000, -0.0005128600000000 ] - [ -0.0019791600000000, 0.0007501700000000, 0.0010483100000000 ] - [ -0.0019922800000000, 0.0007699100000000, 0.0010988000000000 ] - [ -0.0004841800000000, 0.0009814200000000, 0.0002405700000000 ] - [ -0.0004929300000000, 0.0010106100000000, 0.0001595700000000 ] - [ -0.0004106600000000, -0.0010969600000000, 0.0001545200000000 ] - [ -0.0004997200000000, -0.0009431000000000, 0.0002366900000000 ]- atom: 57 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0005459100000000, -0.0001538400000000, 0.0007657200000000 ] - [ 0.0002822000000000, -0.0010212200000000, 0.0010800800000000 ] - [ -0.0007958000000000, -0.0009443100000000, -0.0012034100000000 ] - [ 0.0001997100000000, -0.0000481500000000, 0.0000042600000000 ] - [ 0.0006526500000000, 0.0004553800000000, 0.0008682400000000 ] - [ 0.0006657600000000, 0.0005231900000000, 0.0008870800000000 ] - [ 0.0003515500000000, 0.0005064600000000, -0.0000207700000000 ] - [ 0.0003412400000000, 0.0004645800000000, -0.0000012900000000 ] - [ -0.0006001500000000, -0.0007786100000000, -0.0001190800000000 ] - [ -0.0006882900000000, -0.0010069600000000, -0.0005006900000000 ] - [ 0.0000216900000000, -0.0003103300000000, 0.0010255100000000 ] - [ -0.0111602900000000, -0.0075867300000000, -0.0004190200000000 ] - [ -0.0006273900000000, 0.0008083900000000, -0.0001316000000000 ] - [ -0.0006599000000000, 0.0009834500000000, -0.0002207600000000 ] - [ -0.0002320600000000, 0.0007573700000000, 0.0010161000000000 ] - [ -0.0002367100000000, 0.0007747800000000, 0.0010188000000000 ] - [ 0.0042861500000000, 0.0018241300000000, -0.0006948700000000 ] - [ 0.0037719500000000, 0.0024996400000000, -0.0010102000000000 ] - [ 0.0029304400000000, -0.0002836200000000, 0.0005428300000000 ] - [ 0.0023824800000000, 0.0004180600000000, 0.0009562600000000 ] - [ 0.0035489700000000, -0.0022108100000000, -0.0007663700000000 ] - [ 0.0035427500000000, -0.0021929000000000, -0.0007358700000000 ] - [ 0.0023470300000000, -0.0001281800000000, 0.0007270400000000 ] - [ 0.0023294800000000, -0.0000963300000000, 0.0006871600000000 ] - [ -0.0061126000000000, -0.0086904900000000, 0.0008867700000000 ] - [ -0.0016390700000000, 0.0005028700000000, 0.0003725200000000 ] - [ 0.0003998300000000, -0.0025224300000000, -0.0011328800000000 ] - [ 0.0004122100000000, -0.0022413400000000, -0.0015290700000000 ] - [ -0.0013210500000000, 0.0001690900000000, 0.0003937300000000 ] - [ -0.0013157300000000, 0.0001822600000000, 0.0003911700000000 ] - [ 0.0003920200000000, 0.0022548400000000, -0.0015182900000000 ] - [ 0.0004441000000000, 0.0024842600000000, -0.0013157500000000 ] - [ -0.0057807900000000, 0.0010527900000000, -0.0030695900000000 ] - [ -0.0060687700000000, 0.0011173300000000, -0.0044229200000000 ] - [ -0.0012840200000000, 0.0002756500000000, -0.0010060400000000 ] - [ -0.0026898300000000, 0.0016770500000000, -0.0006769000000000 ] - [ 0.0009459100000000, 0.0012120100000000, 0.0021771200000000 ] - [ 0.0009708700000000, 0.0012381600000000, 0.0025242400000000 ] - [ -0.0052675500000000, -0.0014088000000000, -0.0038555400000000 ] - [ -0.0052705600000000, -0.0014176100000000, -0.0038531500000000 ] - [ -0.0009218800000000, -0.0006204700000000, -0.0004605500000000 ] - [ -0.0009222700000000, -0.0006292800000000, -0.0004595900000000 ] - [ -0.0006394000000000, 0.0015264100000000, -0.0019220600000000 ] - [ -0.0006551100000000, 0.0014415700000000, -0.0022188400000000 ] - [ 0.0010002000000000, -0.0013008100000000, 0.0023770800000000 ] - [ 0.0010182000000000, -0.0013363800000000, 0.0023507000000000 ] - [ 0.0017358600000000, -0.0009777500000000, 0.0075954900000000 ] - [ 0.0037270000000000, 0.0000308800000000, 0.0029253200000000 ] - [ -0.0006386400000000, -0.0014774700000000, -0.0021294400000000 ] - [ -0.0006441100000000, -0.0015405100000000, -0.0020710600000000 ] - [ -0.0010130600000000, -0.0034237300000000, -0.0032891000000000 ] - [ 0.0013299500000000, -0.0007150400000000, 0.0016965100000000 ] - [ 0.0037170400000000, -0.0003028100000000, 0.0030654000000000 ] - [ 0.0037146500000000, -0.0003080300000000, 0.0030803700000000 ] - [ 0.0012685400000000, 0.0004819800000000, 0.0015857000000000 ] - [ 0.0012659500000000, 0.0004796200000000, 0.0015747900000000 ] - [ 0.0261865900000000, 0.0204815100000000, 0.0002194600000000 ] - [ -0.0008328300000000, -0.0002205400000000, -0.0024001000000000 ] - [ -0.0025005200000000, -0.0006135300000000, -0.0007942700000000 ] - [ -0.0026486500000000, -0.0008334600000000, -0.0008453600000000 ] - [ -0.0007575200000000, -0.0000950400000000, -0.0024098200000000 ] - [ -0.0007598000000000, -0.0000902100000000, -0.0024082900000000 ] - [ -0.0025903800000000, 0.0007220400000000, -0.0007870800000000 ] - [ -0.0026104000000000, 0.0007515400000000, -0.0008517300000000 ] - [ 0.0016680300000000, 0.0007292300000000, 0.0008219500000000 ] - [ 0.0016617900000000, 0.0007573900000000, 0.0009042700000000 ] - [ 0.0017776800000000, 0.0000301500000000, 0.0001445600000000 ] - [ 0.0014732100000000, -0.0003118000000000, -0.0003031500000000 ] - [ 0.0016722800000000, -0.0001781800000000, -0.0001532000000000 ] - [ 0.0011834600000000, -0.0016692300000000, 0.0004663700000000 ] - [ 0.0031478500000000, -0.0012720900000000, 0.0029059600000000 ] - [ 0.0032350500000000, -0.0011918600000000, 0.0030490900000000 ] - [ 0.0017177600000000, -0.0006592400000000, 0.0008256100000000 ] - [ 0.0016458200000000, -0.0007965500000000, 0.0008777300000000 ] - [ 0.0013985600000000, -0.0000090700000000, -0.0000333800000000 ] - [ 0.0014001800000000, -0.0000185500000000, -0.0000348800000000 ] - [ 0.0013466400000000, 0.0004679800000000, -0.0000899200000000 ] - [ 0.0013480200000000, 0.0004585700000000, -0.0000913500000000 ] - [ 0.0031518800000000, 0.0012452300000000, 0.0029856200000000 ] - [ 0.0031325700000000, 0.0012195300000000, 0.0029733100000000 ] - [ -0.0013891100000000, -0.0013747500000000, -0.0010837100000000 ] - [ -0.0013432200000000, -0.0012732500000000, -0.0012936900000000 ] - [ -0.0013729700000000, 0.0013366400000000, -0.0011651400000000 ] - [ -0.0013651700000000, 0.0012719800000000, -0.0011897600000000 ] - [ -0.0014617500000000, 0.0009014600000000, -0.0023397500000000 ] - [ -0.0009678000000000, 0.0002618000000000, -0.0009739000000000 ] - [ -0.0021864900000000, -0.0003616500000000, 0.0012606300000000 ] - [ -0.0014693700000000, -0.0005224100000000, -0.0003139600000000 ] - [ -0.0009384000000000, -0.0005089700000000, -0.0010303300000000 ] - [ -0.0009333900000000, -0.0004926800000000, -0.0010153700000000 ] - [ -0.0013913600000000, 0.0002847900000000, -0.0002786500000000 ] - [ -0.0013922200000000, 0.0003020200000000, -0.0002902400000000 ] - [ -0.0045988200000000, -0.0003579300000000, -0.0006245300000000 ] - [ -0.0022813600000000, -0.0013664500000000, -0.0004795500000000 ] - [ -0.0021480800000000, -0.0005795000000000, 0.0009894500000000 ] - [ -0.0019617900000000, -0.0008435300000000, 0.0011204600000000 ] - [ -0.0022934700000000, 0.0011890600000000, -0.0005140500000000 ] - [ -0.0022922500000000, 0.0011883300000000, -0.0005141900000000 ] - [ -0.0019945200000000, 0.0007729400000000, 0.0011023200000000 ] - [ -0.0019813500000000, 0.0007533200000000, 0.0010519100000000 ] - [ -0.0004980800000000, 0.0010168700000000, 0.0001546900000000 ] - [ -0.0004894400000000, 0.0009876200000000, 0.0002357700000000 ] - [ -0.0005714500000000, -0.0009016400000000, 0.0002403300000000 ] - [ -0.0004826800000000, -0.0010551300000000, 0.0001586100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006619400000000, -0.0012109100000000, 0.0012781600000000 ] - [ 0.0009863800000000, 0.0002550800000000, -0.0000746700000000 ] - [ 0.0007642400000000, 0.0010942400000000, 0.0002896200000000 ] - [ 0.0002888800000000, -0.0014499800000000, -0.0004686800000000 ] - [ 0.0006712700000000, 0.0005533200000000, 0.0009608900000000 ] - [ 0.0006448700000000, 0.0004277900000000, 0.0009087400000000 ] - [ 0.0003353800000000, 0.0004539600000000, 0.0000548400000000 ] - [ 0.0003541400000000, 0.0005219200000000, 0.0000242700000000 ] - [ -0.0006725800000000, -0.0011335100000000, -0.0003379200000000 ] - [ -0.0006552900000000, -0.0006472700000000, 0.0001572400000000 ] - [ -0.0003079700000000, -0.0019977500000000, 0.0010669300000000 ] - [ 0.0049691200000000, 0.0031233100000000, 0.0010509400000000 ] - [ -0.0006859100000000, 0.0010592700000000, -0.0002235400000000 ] - [ -0.0006162500000000, 0.0007601800000000, -0.0000817300000000 ] - [ -0.0002384700000000, 0.0007822400000000, 0.0010699600000000 ] - [ -0.0002302300000000, 0.0007522600000000, 0.0010609300000000 ] - [ 0.0032339400000000, 0.0028309300000000, -0.0013838500000000 ] - [ 0.0032859900000000, 0.0014156500000000, -0.0000896100000000 ] - [ 0.0020430400000000, 0.0006434100000000, 0.0012274800000000 ] - [ 0.0022681400000000, -0.0003910700000000, 0.0002223000000000 ] - [ 0.0035412500000000, -0.0021870200000000, -0.0006740500000000 ] - [ 0.0035551500000000, -0.0022164200000000, -0.0007246800000000 ] - [ 0.0023249800000000, -0.0000723600000000, 0.0007270200000000 ] - [ 0.0023570000000000, -0.0001482600000000, 0.0007954000000000 ] - [ 0.0063862100000000, 0.0174147500000000, -0.0011767800000000 ] - [ -0.0009451600000000, -0.0018652300000000, -0.0000904900000000 ] - [ 0.0005234700000000, -0.0020441500000000, -0.0017037900000000 ] - [ 0.0004304600000000, -0.0027718000000000, -0.0010471700000000 ] - [ -0.0013135900000000, 0.0001903400000000, 0.0004585900000000 ] - [ -0.0013246800000000, 0.0001622500000000, 0.0004645700000000 ] - [ 0.0004898700000000, 0.0025666300000000, -0.0011637200000000 ] - [ 0.0003717000000000, 0.0022416000000000, -0.0014621000000000 ] - [ -0.0045575700000000, 0.0022105800000000, -0.0051493100000000 ] - [ -0.0048844600000000, 0.0018184300000000, -0.0031447200000000 ] - [ -0.0003809200000000, 0.0014103000000000, 0.0005677900000000 ] - [ -0.0020187800000000, 0.0022080800000000, -0.0014178800000000 ] - [ 0.0010393900000000, 0.0013703700000000, 0.0026134100000000 ] - [ 0.0008713500000000, 0.0014830400000000, 0.0020452400000000 ] - [ -0.0052728600000000, -0.0014247000000000, -0.0038795700000000 ] - [ -0.0052685500000000, -0.0014072700000000, -0.0038802400000000 ] - [ -0.0009204200000000, -0.0006284100000000, -0.0004824500000000 ] - [ -0.0009198600000000, -0.0006139500000000, -0.0004826200000000 ] - [ -0.0006716400000000, 0.0014167300000000, -0.0023566500000000 ] - [ -0.0006235100000000, 0.0016015200000000, -0.0019308100000000 ] - [ 0.0010233900000000, -0.0013536000000000, 0.0023133600000000 ] - [ 0.0009927800000000, -0.0012944700000000, 0.0023627600000000 ] - [ 0.0054495400000000, 0.0000251300000000, -0.0004304200000000 ] - [ 0.0037426500000000, 0.0007783400000000, 0.0033824900000000 ] - [ -0.0006687600000000, -0.0015540800000000, -0.0020936500000000 ] - [ -0.0006366000000000, -0.0014291000000000, -0.0021950800000000 ] - [ 0.0043884200000000, 0.0013184200000000, 0.0067136500000000 ] - [ 0.0013567600000000, -0.0000387400000000, 0.0014622100000000 ] - [ 0.0037188700000000, -0.0003016800000000, 0.0030583900000000 ] - [ 0.0037210200000000, -0.0002874700000000, 0.0030274900000000 ] - [ 0.0012629500000000, 0.0004728400000000, 0.0015463100000000 ] - [ 0.0012665500000000, 0.0004768400000000, 0.0015647700000000 ] - [ -0.0209777900000000, -0.0326024400000000, -0.0009914400000000 ] - [ -0.0004443400000000, 0.0008863200000000, -0.0024428000000000 ] - [ -0.0027429400000000, -0.0012059800000000, -0.0010966500000000 ] - [ -0.0025263900000000, -0.0004820600000000, -0.0007147100000000 ] - [ -0.0007602500000000, -0.0000933200000000, -0.0024243300000000 ] - [ -0.0007554800000000, -0.0001007800000000, -0.0024273600000000 ] - [ -0.0026183400000000, 0.0007679500000000, -0.0008938800000000 ] - [ -0.0025896400000000, 0.0007170400000000, -0.0007918800000000 ] - [ 0.0016624100000000, 0.0007589000000000, 0.0009239800000000 ] - [ 0.0016730900000000, 0.0007017500000000, 0.0007352000000000 ] - [ 0.0006408200000000, 0.0010999800000000, -0.0010481500000000 ] - [ 0.0016243500000000, 0.0007488600000000, 0.0005804900000000 ] - [ 0.0003969300000000, 0.0020719900000000, 0.0012305000000000 ] - [ 0.0021490000000000, 0.0024350100000000, -0.0010905000000000 ] - [ 0.0032327500000000, -0.0012211300000000, 0.0031858100000000 ] - [ 0.0031268900000000, -0.0011036300000000, 0.0027253300000000 ] - [ 0.0016046900000000, -0.0008681000000000, 0.0008991500000000 ] - [ 0.0017026600000000, -0.0006171200000000, 0.0007766600000000 ] - [ 0.0013940800000000, -0.0000266200000000, -0.0000613900000000 ] - [ 0.0013916800000000, -0.0000074200000000, -0.0000554300000000 ] - [ 0.0013546900000000, 0.0004580600000000, -0.0001132900000000 ] - [ 0.0013540800000000, 0.0004730900000000, -0.0001120300000000 ] - [ 0.0031182800000000, 0.0012091800000000, 0.0029468300000000 ] - [ 0.0031541700000000, 0.0012532000000000, 0.0029597800000000 ] - [ -0.0013597400000000, -0.0011549100000000, -0.0014031400000000 ] - [ -0.0013788700000000, -0.0013903800000000, -0.0010143900000000 ] - [ -0.0013511300000000, 0.0012297700000000, -0.0012337000000000 ] - [ -0.0013797400000000, 0.0013437900000000, -0.0011688200000000 ] - [ -0.0007420700000000, -0.0002591300000000, -0.0003619300000000 ] - [ -0.0009642400000000, 0.0010821700000000, -0.0011706500000000 ] - [ -0.0008441400000000, -0.0008968700000000, -0.0010262900000000 ] - [ -0.0014270600000000, 0.0004008700000000, -0.0000678000000000 ] - [ -0.0009283600000000, -0.0004958500000000, -0.0010332500000000 ] - [ -0.0009345100000000, -0.0005207500000000, -0.0010636000000000 ] - [ -0.0013934300000000, 0.0003087600000000, -0.0003203100000000 ] - [ -0.0013911100000000, 0.0002809700000000, -0.0003008400000000 ] - [ -0.0008523100000000, -0.0022130400000000, -0.0003721600000000 ] - [ -0.0023971700000000, -0.0006465300000000, -0.0004036400000000 ] - [ -0.0018355600000000, -0.0010211600000000, 0.0012763000000000 ] - [ -0.0020201300000000, -0.0005478900000000, 0.0009527500000000 ] - [ -0.0022937500000000, 0.0011879600000000, -0.0005339800000000 ] - [ -0.0022962000000000, 0.0011916600000000, -0.0005341600000000 ] - [ -0.0019710300000000, 0.0007447700000000, 0.0010106900000000 ] - [ -0.0019866000000000, 0.0007731800000000, 0.0010918200000000 ] - [ -0.0004922900000000, 0.0009760100000000, 0.0002464300000000 ] - [ -0.0005006000000000, 0.0010280300000000, 0.0000863800000000 ] - [ -0.0004252100000000, -0.0011291400000000, 0.0000645200000000 ] - [ -0.0005071700000000, -0.0008955500000000, 0.0002503100000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006544200000000, 0.0002308700000000, 0.0004706600000000 ] - [ 0.0003273300000000, -0.0012335100000000, 0.0018329600000000 ] - [ -0.0000776000000000, -0.0020376300000000, -0.0003621100000000 ] - [ 0.0004047100000000, 0.0004798500000000, 0.0004485500000000 ] - [ 0.0006456800000000, 0.0004285700000000, 0.0007908100000000 ] - [ 0.0006721000000000, 0.0005539300000000, 0.0008434800000000 ] - [ 0.0003572000000000, 0.0005169500000000, -0.0000807300000000 ] - [ 0.0003384200000000, 0.0004489100000000, -0.0000499000000000 ] - [ -0.0006224900000000, -0.0006775400000000, -0.0000485800000000 ] - [ -0.0006400200000000, -0.0011630400000000, -0.0005486700000000 ] - [ -0.0001592200000000, 0.0004682900000000, 0.0009663300000000 ] - [ -0.0053032200000000, -0.0046175000000000, 0.0009994400000000 ] - [ -0.0006092000000000, 0.0007517200000000, -0.0001642000000000 ] - [ -0.0006789600000000, 0.0010509400000000, -0.0003071000000000 ] - [ -0.0002294000000000, 0.0007499400000000, 0.0009623300000000 ] - [ -0.0002376800000000, 0.0007799500000000, 0.0009713600000000 ] - [ 0.0038584100000000, 0.0015634100000000, -0.0001217800000000 ] - [ 0.0038033100000000, 0.0029931100000000, -0.0014118200000000 ] - [ 0.0026357700000000, -0.0004251100000000, 0.0001814300000000 ] - [ 0.0024090200000000, 0.0006193900000000, 0.0011861600000000 ] - [ 0.0035517500000000, -0.0022166000000000, -0.0008319700000000 ] - [ 0.0035378200000000, -0.0021870000000000, -0.0007813000000000 ] - [ 0.0023532300000000, -0.0001532600000000, 0.0006820900000000 ] - [ 0.0023211900000000, -0.0000767800000000, 0.0006138600000000 ] - [ -0.0094796900000000, -0.0184955600000000, 0.0020670100000000 ] - [ -0.0016887500000000, 0.0015199100000000, 0.0008730800000000 ] - [ 0.0003241800000000, -0.0027503900000000, -0.0010890500000000 ] - [ 0.0004169800000000, -0.0020170800000000, -0.0017467100000000 ] - [ -0.0013230600000000, 0.0001623700000000, 0.0003215500000000 ] - [ -0.0013119600000000, 0.0001905600000000, 0.0003156100000000 ] - [ 0.0003577400000000, 0.0022242400000000, -0.0016298000000000 ] - [ 0.0004761900000000, 0.0025514800000000, -0.0013316700000000 ] - [ -0.0059878100000000, 0.0006078500000000, -0.0025453400000000 ] - [ -0.0056560700000000, 0.0010115300000000, -0.0045599200000000 ] - [ -0.0014679800000000, -0.0001672200000000, -0.0014969500000000 ] - [ 0.0001538800000000, -0.0009448500000000, 0.0004828500000000 ] - [ 0.0009786900000000, 0.0012688400000000, 0.0021148500000000 ] - [ 0.0011481200000000, 0.0011520100000000, 0.0026860400000000 ] - [ -0.0052651300000000, -0.0014020700000000, -0.0038278900000000 ] - [ -0.0052694900000000, -0.0014196000000000, -0.0038273100000000 ] - [ -0.0009233700000000, -0.0006217000000000, -0.0004365200000000 ] - [ -0.0009239200000000, -0.0006362300000000, -0.0004362800000000 ] - [ -0.0006147000000000, 0.0015978600000000, -0.0018515400000000 ] - [ -0.0006624700000000, 0.0014110400000000, -0.0022786200000000 ] - [ 0.0009947500000000, -0.0012836500000000, 0.0024157000000000 ] - [ 0.0010254800000000, -0.0013429100000000, 0.0023664300000000 ] - [ 0.0019770200000000, 0.0006020000000000, 0.0065868900000000 ] - [ 0.0036883900000000, -0.0001683500000000, 0.0027640900000000 ] - [ -0.0006172700000000, -0.0014586200000000, -0.0021151700000000 ] - [ -0.0006494900000000, -0.0015841800000000, -0.0020139100000000 ] - [ -0.0018781300000000, -0.0022796900000000, -0.0035927500000000 ] - [ 0.0011776100000000, -0.0009253500000000, 0.0017001700000000 ] - [ 0.0037122200000000, -0.0003096100000000, 0.0030892800000000 ] - [ 0.0037100800000000, -0.0003239900000000, 0.0031203300000000 ] - [ 0.0012716700000000, 0.0004889700000000, 0.0016161100000000 ] - [ 0.0012680900000000, 0.0004849000000000, 0.0015976700000000 ] - [ 0.0198522800000000, 0.0334151000000000, -0.0038312200000000 ] - [ -0.0010724800000000, -0.0007026600000000, -0.0023742100000000 ] - [ -0.0024627500000000, -0.0002610600000000, -0.0005416200000000 ] - [ -0.0026802900000000, -0.0009879600000000, -0.0009266100000000 ] - [ -0.0007555800000000, -0.0000915900000000, -0.0023928400000000 ] - [ -0.0007603400000000, -0.0000841700000000, -0.0023898900000000 ] - [ -0.0025880500000000, 0.0007010800000000, -0.0007460600000000 ] - [ -0.0026165700000000, 0.0007516800000000, -0.0008482000000000 ] - [ 0.0016645800000000, 0.0007255700000000, 0.0007931500000000 ] - [ 0.0016542600000000, 0.0007823600000000, 0.0009821600000000 ] - [ 0.0021653300000000, -0.0010886300000000, 0.0009947200000000 ] - [ 0.0011803400000000, -0.0007121000000000, -0.0006402100000000 ] - [ 0.0023106200000000, -0.0030473600000000, -0.0014336500000000 ] - [ 0.0005670400000000, -0.0033009700000000, 0.0008823600000000 ] - [ 0.0030526800000000, -0.0012429800000000, 0.0027725500000000 ] - [ 0.0031576400000000, -0.0013646000000000, 0.0032350700000000 ] - [ 0.0017229200000000, -0.0006153900000000, 0.0008176100000000 ] - [ 0.0016244000000000, -0.0008674900000000, 0.0009412800000000 ] - [ 0.0014053000000000, -0.0000003100000000, -0.0000045400000000 ] - [ 0.0014076400000000, -0.0000196000000000, -0.0000105500000000 ] - [ 0.0013399200000000, 0.0004688000000000, -0.0000663300000000 ] - [ 0.0013404800000000, 0.0004537300000000, -0.0000675300000000 ] - [ 0.0031677400000000, 0.0012567000000000, 0.0030121000000000 ] - [ 0.0031318900000000, 0.0012126000000000, 0.0029993800000000 ] - [ -0.0013764000000000, -0.0014422500000000, -0.0009426800000000 ] - [ -0.0013577700000000, -0.0012078900000000, -0.0013327000000000 ] - [ -0.0013853700000000, 0.0013682600000000, -0.0011124700000000 ] - [ -0.0013567100000000, 0.0012538100000000, -0.0011781200000000 ] - [ -0.0011381800000000, 0.0012620300000000, -0.0016946100000000 ] - [ -0.0009076000000000, -0.0000826100000000, -0.0008735100000000 ] - [ -0.0019474300000000, 0.0003038500000000, 0.0004695400000000 ] - [ -0.0013559900000000, -0.0009907700000000, -0.0005024500000000 ] - [ -0.0009432100000000, -0.0005052100000000, -0.0010114900000000 ] - [ -0.0009371100000000, -0.0004804200000000, -0.0009810000000000 ] - [ -0.0013898200000000, 0.0002795100000000, -0.0002472700000000 ] - [ -0.0013921500000000, 0.0003072500000000, -0.0002667900000000 ] - [ -0.0037465900000000, -0.0001525000000000, -0.0006579200000000 ] - [ -0.0021862500000000, -0.0017333100000000, -0.0006241300000000 ] - [ -0.0021391400000000, -0.0005003300000000, 0.0008739800000000 ] - [ -0.0019524000000000, -0.0009759600000000, 0.0011971300000000 ] - [ -0.0022902000000000, 0.0011891900000000, -0.0004932700000000 ] - [ -0.0022879400000000, 0.0011855300000000, -0.0004929900000000 ] - [ -0.0020022800000000, 0.0007788700000000, 0.0011401000000000 ] - [ -0.0019869500000000, 0.0007500500000000, 0.0010588500000000 ] - [ -0.0004897200000000, 0.0010232900000000, 0.0001491200000000 ] - [ -0.0004817400000000, 0.0009705600000000, 0.0003096700000000 ] - [ -0.0005575900000000, -0.0008686600000000, 0.0003308600000000 ] - [ -0.0004748400000000, -0.0011033900000000, 0.0001456700000000 ]- atom: 57 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0007306300000000, -0.0001649800000000, 0.0008851100000000 ] - [ 0.0007469700000000, -0.0011307500000000, 0.0001906000000000 ] - [ 0.0007864300000000, -0.0013704600000000, 0.0044612500000000 ] - [ 0.0003073400000000, -0.0005483500000000, 0.0003101000000000 ] - [ 0.0006500400000000, 0.0005069800000000, 0.0006223100000000 ] - [ 0.0006578900000000, 0.0004925500000000, 0.0006620100000000 ] - [ 0.0003581400000000, 0.0005006600000000, -0.0002258500000000 ] - [ 0.0003450900000000, 0.0004507800000000, -0.0002269000000000 ] - [ -0.0006831500000000, -0.0009485900000000, -0.0002466200000000 ] - [ -0.0006662400000000, -0.0009015500000000, -0.0005458100000000 ] - [ -0.0002022700000000, -0.0005396000000000, 0.0015161900000000 ] - [ 0.0007509700000000, -0.0007161900000000, 0.0016617600000000 ] - [ -0.0006129300000000, 0.0008059700000000, -0.0004156800000000 ] - [ -0.0006657400000000, 0.0010012500000000, -0.0003645200000000 ] - [ -0.0002314200000000, 0.0007588000000000, 0.0008113600000000 ] - [ -0.0002330200000000, 0.0007654900000000, 0.0008208700000000 ] - [ 0.0032356000000000, 0.0017544800000000, -0.0002272500000000 ] - [ 0.0036459700000000, 0.0025197800000000, -0.0005246500000000 ] - [ 0.0026079900000000, 0.0006142800000000, 0.0005679800000000 ] - [ 0.0022609400000000, 0.0000218000000000, 0.0008241000000000 ] - [ 0.0035405000000000, -0.0021978700000000, -0.0009923200000000 ] - [ 0.0035384100000000, -0.0022044800000000, -0.0009492100000000 ] - [ 0.0023416000000000, -0.0001484900000000, 0.0004615500000000 ] - [ 0.0023329500000000, -0.0000977800000000, 0.0004813300000000 ] - [ -0.0016914000000000, -0.0011915400000000, 0.0038334500000000 ] - [ -0.0013046500000000, -0.0000466100000000, 0.0012180400000000 ] - [ 0.0004307500000000, -0.0026639100000000, -0.0017344500000000 ] - [ 0.0004173000000000, -0.0021355800000000, -0.0017146200000000 ] - [ -0.0013192100000000, 0.0001718800000000, 0.0000924200000000 ] - [ -0.0013141600000000, 0.0001791900000000, 0.0001090100000000 ] - [ 0.0003680800000000, 0.0024532900000000, -0.0018240400000000 ] - [ 0.0004266000000000, 0.0023708900000000, -0.0015832600000000 ] - [ -0.0052199200000000, 0.0015569800000000, -0.0041081200000000 ] - [ -0.0054117000000000, 0.0015415600000000, -0.0041105600000000 ] - [ -0.0011722300000000, 0.0001203000000000, -0.0010904100000000 ] - [ -0.0001020200000000, -0.0000802500000000, -0.0006377200000000 ] - [ 0.0010539400000000, 0.0014790000000000, 0.0023965200000000 ] - [ 0.0012618000000000, 0.0010338800000000, 0.0026221900000000 ] - [ -0.0052625600000000, -0.0013996600000000, -0.0037419000000000 ] - [ -0.0052640900000000, -0.0014044800000000, -0.0037532700000000 ] - [ -0.0009293800000000, -0.0006387100000000, -0.0003626400000000 ] - [ -0.0009300500000000, -0.0006417700000000, -0.0003727300000000 ] - [ -0.0005910900000000, 0.0014407200000000, -0.0019160600000000 ] - [ -0.0006659900000000, 0.0015853800000000, -0.0020325700000000 ] - [ 0.0010050300000000, -0.0012832300000000, 0.0025063700000000 ] - [ 0.0010129300000000, -0.0013101000000000, 0.0024423000000000 ] - [ -0.0008319900000000, -0.0028262700000000, 0.0089566000000000 ] - [ 0.0037339700000000, 0.0002070200000000, 0.0028772200000000 ] - [ -0.0006201000000000, -0.0015471300000000, -0.0019531700000000 ] - [ -0.0006332900000000, -0.0015811100000000, -0.0019816000000000 ] - [ 0.0057507600000000, 0.0041803500000000, 0.0062870500000000 ] - [ 0.0012038700000000, -0.0004974400000000, 0.0013904400000000 ] - [ 0.0036953700000000, -0.0003453800000000, 0.0031988500000000 ] - [ 0.0037010600000000, -0.0003573800000000, 0.0032029800000000 ] - [ 0.0012804000000000, 0.0005020900000000, 0.0016901600000000 ] - [ 0.0012753400000000, 0.0005080900000000, 0.0016794400000000 ] - [ -0.0023932100000000, 0.0022181200000000, -0.0229938100000000 ] - [ -0.0007685200000000, 0.0000485700000000, -0.0025512900000000 ] - [ -0.0025546700000000, -0.0004270700000000, -0.0005696500000000 ] - [ -0.0026113000000000, -0.0008111800000000, -0.0008497100000000 ] - [ -0.0007562600000000, -0.0000773000000000, -0.0023391100000000 ] - [ -0.0007579200000000, -0.0000742000000000, -0.0023398400000000 ] - [ -0.0025720600000000, 0.0006528900000000, -0.0007010500000000 ] - [ -0.0026226600000000, 0.0007318600000000, -0.0007552600000000 ] - [ 0.0016301100000000, 0.0007968900000000, 0.0009512100000000 ] - [ 0.0016625100000000, 0.0007627100000000, 0.0009726000000000 ] - [ 0.0014386800000000, -0.0007070200000000, 0.0002068200000000 ] - [ 0.0014530300000000, 0.0003471600000000, -0.0001984100000000 ] - [ 0.0015633700000000, 0.0002396500000000, -0.0001941200000000 ] - [ 0.0011616100000000, -0.0011231000000000, -0.0002092300000000 ] - [ 0.0031329000000000, -0.0011413300000000, 0.0029525600000000 ] - [ 0.0030115200000000, -0.0014868600000000, 0.0031161100000000 ] - [ 0.0016598700000000, -0.0007592400000000, 0.0009757100000000 ] - [ 0.0016487000000000, -0.0007849700000000, 0.0009158500000000 ] - [ 0.0014317900000000, 0.0000039300000000, 0.0000799400000000 ] - [ 0.0014269100000000, -0.0000010700000000, 0.0000665300000000 ] - [ 0.0013177700000000, 0.0004574800000000, 0.0000066900000000 ] - [ 0.0013219300000000, 0.0004524900000000, -0.0000037100000000 ] - [ 0.0031876700000000, 0.0012491900000000, 0.0031026700000000 ] - [ 0.0031655600000000, 0.0012315000000000, 0.0030602100000000 ] - [ -0.0014380900000000, -0.0014749600000000, -0.0010044300000000 ] - [ -0.0013302700000000, -0.0012130900000000, -0.0011263200000000 ] - [ -0.0013610200000000, 0.0013476400000000, -0.0010062500000000 ] - [ -0.0013584000000000, 0.0013184700000000, -0.0010788400000000 ] - [ 0.0001691400000000, 0.0006731300000000, 0.0001295900000000 ] - [ -0.0008418200000000, 0.0004081100000000, -0.0011025900000000 ] - [ -0.0023686100000000, -0.0005822600000000, 0.0004708000000000 ] - [ -0.0014553900000000, -0.0003582800000000, -0.0004474200000000 ] - [ -0.0009501000000000, -0.0004670600000000, -0.0009188400000000 ] - [ -0.0009568000000000, -0.0004768700000000, -0.0009115500000000 ] - [ -0.0013898700000000, 0.0002788500000000, -0.0001735200000000 ] - [ -0.0013886100000000, 0.0003029200000000, -0.0001773200000000 ] - [ -0.0026035500000000, -0.0011603700000000, -0.0008186900000000 ] - [ -0.0023029200000000, -0.0013086000000000, -0.0007082900000000 ] - [ -0.0020124100000000, -0.0007085600000000, 0.0011637800000000 ] - [ -0.0019739200000000, -0.0008548400000000, 0.0010827100000000 ] - [ -0.0022813900000000, 0.0011823700000000, -0.0004290000000000 ] - [ -0.0022816500000000, 0.0011823700000000, -0.0004326700000000 ] - [ -0.0020473500000000, 0.0007463000000000, 0.0011896800000000 ] - [ -0.0020008800000000, 0.0007878700000000, 0.0011470900000000 ] - [ -0.0004624400000000, 0.0010184700000000, 0.0002975200000000 ] - [ -0.0004922300000000, 0.0009595000000000, 0.0003315300000000 ] - [ -0.0004614100000000, -0.0009965500000000, 0.0004494100000000 ] - [ -0.0004833700000000, -0.0010075100000000, 0.0002283000000000 ]- atom: 57 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0005865500000000, -0.0008174100000000, 0.0008694700000000 ] - [ 0.0005703200000000, 0.0001511500000000, 0.0015580000000000 ] - [ -0.0001293800000000, 0.0004909000000000, -0.0047142300000000 ] - [ 0.0003843500000000, -0.0004249200000000, -0.0003386100000000 ] - [ 0.0006669800000000, 0.0004745200000000, 0.0011300800000000 ] - [ 0.0006589100000000, 0.0004884500000000, 0.0010901400000000 ] - [ 0.0003340300000000, 0.0004696600000000, 0.0002009700000000 ] - [ 0.0003469700000000, 0.0005193400000000, 0.0002021000000000 ] - [ -0.0006115400000000, -0.0008622400000000, -0.0001416200000000 ] - [ -0.0006284400000000, -0.0009068500000000, 0.0001601800000000 ] - [ -0.0002657800000000, -0.0009965200000000, 0.0005159100000000 ] - [ -0.0012622000000000, -0.0008297300000000, 0.0003472100000000 ] - [ -0.0006816900000000, 0.0010039500000000, 0.0000286700000000 ] - [ -0.0006292500000000, 0.0008089300000000, -0.0000222800000000 ] - [ -0.0002361900000000, 0.0007730800000000, 0.0012213000000000 ] - [ -0.0002346100000000, 0.0007664300000000, 0.0012116700000000 ] - [ 0.0038593400000000, 0.0026509800000000, -0.0012844800000000 ] - [ 0.0034465600000000, 0.0018818800000000, -0.0009820400000000 ] - [ 0.0020719600000000, -0.0003859700000000, 0.0008455400000000 ] - [ 0.0024178900000000, 0.0002029700000000, 0.0005853400000000 ] - [ 0.0035533700000000, -0.0022064800000000, -0.0005122400000000 ] - [ 0.0035554600000000, -0.0021999200000000, -0.0005552700000000 ] - [ 0.0023369300000000, -0.0000767500000000, 0.0009481000000000 ] - [ 0.0023457800000000, -0.0001279700000000, 0.0009286600000000 ] - [ -0.0009260000000000, 0.0008845700000000, -0.0030672500000000 ] - [ -0.0013320400000000, -0.0003078800000000, -0.0004403400000000 ] - [ 0.0004171200000000, -0.0021259000000000, -0.0010592500000000 ] - [ 0.0004300600000000, -0.0026593500000000, -0.0010766100000000 ] - [ -0.0013179000000000, 0.0001801600000000, 0.0006889100000000 ] - [ -0.0013229700000000, 0.0001726100000000, 0.0006724500000000 ] - [ 0.0004787700000000, 0.0023389700000000, -0.0009688500000000 ] - [ 0.0004208500000000, 0.0024208500000000, -0.0012093400000000 ] - [ -0.0053125300000000, 0.0012779400000000, -0.0036083200000000 ] - [ -0.0051251600000000, 0.0012882500000000, -0.0035970500000000 ] - [ -0.0006681700000000, 0.0011354300000000, 0.0001756400000000 ] - [ -0.0017452000000000, 0.0013336300000000, -0.0002762700000000 ] - [ 0.0009653600000000, 0.0011587100000000, 0.0023313600000000 ] - [ 0.0007537400000000, 0.0016073000000000, 0.0021022800000000 ] - [ -0.0052736800000000, -0.0014287600000000, -0.0039691300000000 ] - [ -0.0052721900000000, -0.0014238200000000, -0.0039577100000000 ] - [ -0.0009136100000000, -0.0006124500000000, -0.0005548800000000 ] - [ -0.0009129900000000, -0.0006093700000000, -0.0005448600000000 ] - [ -0.0006942200000000, 0.0015735100000000, -0.0022917700000000 ] - [ -0.0006194700000000, 0.0014295400000000, -0.0021751400000000 ] - [ 0.0010146600000000, -0.0013552400000000, 0.0022207500000000 ] - [ 0.0010067800000000, -0.0013284100000000, 0.0022845600000000 ] - [ 0.0081691000000000, 0.0033682100000000, -0.0027074500000000 ] - [ 0.0036980200000000, 0.0004029900000000, 0.0032669600000000 ] - [ -0.0006654500000000, -0.0014679800000000, -0.0022544000000000 ] - [ -0.0006520200000000, -0.0014334300000000, -0.0022261300000000 ] - [ -0.0032909600000000, -0.0052140000000000, -0.0031994700000000 ] - [ 0.0013310200000000, -0.0004647200000000, 0.0017744500000000 ] - [ 0.0037364600000000, -0.0002636500000000, 0.0029448200000000 ] - [ 0.0037307100000000, -0.0002516000000000, 0.0029406300000000 ] - [ 0.0012542400000000, 0.0004611400000000, 0.0014736300000000 ] - [ 0.0012592900000000, 0.0004551600000000, 0.0014843400000000 ] - [ 0.0010769200000000, -0.0020446500000000, 0.0184278100000000 ] - [ -0.0007486100000000, 0.0001367500000000, -0.0022643300000000 ] - [ -0.0026545500000000, -0.0010465300000000, -0.0010726700000000 ] - [ -0.0025965200000000, -0.0006580400000000, -0.0007911100000000 ] - [ -0.0007614500000000, -0.0001062800000000, -0.0024774600000000 ] - [ -0.0007598100000000, -0.0001093900000000, -0.0024768100000000 ] - [ -0.0026357500000000, 0.0008177500000000, -0.0009407600000000 ] - [ -0.0025852900000000, 0.0007389400000000, -0.0008866900000000 ] - [ 0.0016952900000000, 0.0006894300000000, 0.0007675200000000 ] - [ 0.0016628400000000, 0.0007234800000000, 0.0007453000000000 ] - [ 0.0013551800000000, 0.0007317900000000, -0.0002758900000000 ] - [ 0.0013441800000000, -0.0003167600000000, 0.0001298200000000 ] - [ 0.0011267600000000, -0.0011625000000000, 0.0000208700000000 ] - [ 0.0015335200000000, 0.0002033900000000, 0.0000306700000000 ] - [ 0.0031508800000000, -0.0013231200000000, 0.0030054400000000 ] - [ 0.0032740600000000, -0.0009749600000000, 0.0028396700000000 ] - [ 0.0016657400000000, -0.0007269600000000, 0.0007420300000000 ] - [ 0.0016767500000000, -0.0007011000000000, 0.0008021500000000 ] - [ 0.0013649800000000, -0.0000330900000000, -0.0001496300000000 ] - [ 0.0013698500000000, -0.0000279900000000, -0.0001361300000000 ] - [ 0.0013755900000000, 0.0004676900000000, -0.0001843200000000 ] - [ 0.0013714300000000, 0.0004727200000000, -0.0001739200000000 ] - [ 0.0030957800000000, 0.0012150900000000, 0.0028538000000000 ] - [ 0.0031179500000000, 0.0012328000000000, 0.0028962700000000 ] - [ -0.0012999200000000, -0.0011221000000000, -0.0013428300000000 ] - [ -0.0014075000000000, -0.0013835100000000, -0.0012211900000000 ] - [ -0.0013763400000000, 0.0012485300000000, -0.0013412700000000 ] - [ -0.0013790600000000, 0.0012782900000000, -0.0012681300000000 ] - [ -0.0020180300000000, 0.0003278500000000, -0.0021498500000000 ] - [ -0.0010301900000000, 0.0005933500000000, -0.0009448200000000 ] - [ -0.0003999200000000, -0.0000015700000000, -0.0010497700000000 ] - [ -0.0013275400000000, -0.0002273700000000, -0.0001184200000000 ] - [ -0.0009223500000000, -0.0005332100000000, -0.0011280400000000 ] - [ -0.0009156300000000, -0.0005234900000000, -0.0011354700000000 ] - [ -0.0013930100000000, 0.0003090500000000, -0.0003943400000000 ] - [ -0.0013942600000000, 0.0002849900000000, -0.0003905800000000 ] - [ -0.0019752900000000, -0.0012190900000000, -0.0002070500000000 ] - [ -0.0022800400000000, -0.0010690600000000, -0.0003174400000000 ] - [ -0.0019586600000000, -0.0008171400000000, 0.0009869800000000 ] - [ -0.0019975900000000, -0.0006688400000000, 0.0010670900000000 ] - [ -0.0023013700000000, 0.0011965200000000, -0.0005979500000000 ] - [ -0.0023013200000000, 0.0011965900000000, -0.0005942400000000 ] - [ -0.0019239400000000, 0.0007786700000000, 0.0009597700000000 ] - [ -0.0019702900000000, 0.0007372700000000, 0.0010022700000000 ] - [ -0.0005179700000000, 0.0009813400000000, 0.0001005700000000 ] - [ -0.0004880300000000, 0.0010407000000000, 0.0000657700000000 ] - [ -0.0005184600000000, -0.0010037100000000, -0.0000511900000000 ] - [ -0.0004969300000000, -0.0009924200000000, 0.0001693600000000 ]- atom: 59 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0006580300000000, -0.0005282100000000, 0.0008762600000000 ] - [ 0.0006612900000000, -0.0004537900000000, 0.0008481300000000 ] - [ 0.0013728700000000, -0.0006013900000000, -0.0020600500000000 ] - [ 0.0004483600000000, -0.0008137100000000, 0.0000509600000000 ] - [ 0.0011181200000000, 0.0008618000000000, 0.0010742900000000 ] - [ 0.0006019000000000, 0.0001765100000000, 0.0007841600000000 ] - [ 0.0003424400000000, 0.0004645700000000, -0.0000346500000000 ] - [ 0.0003558200000000, 0.0005035600000000, -0.0000174900000000 ] - [ -0.0008746900000000, -0.0014826200000000, -0.0000440600000000 ] - [ 0.0042261600000000, 0.0033818500000000, -0.0015080600000000 ] - [ -0.0002570800000000, -0.0008535200000000, 0.0010607300000000 ] - [ -0.0001548900000000, -0.0007065600000000, 0.0006781900000000 ] - [ -0.0006499900000000, 0.0009159500000000, -0.0002069800000000 ] - [ -0.0006459800000000, 0.0008954900000000, -0.0002057000000000 ] - [ -0.0002848500000000, 0.0008366400000000, 0.0010684900000000 ] - [ -0.0002132200000000, 0.0006983800000000, 0.0009518900000000 ] - [ 0.0031724600000000, 0.0025409400000000, -0.0003271600000000 ] - [ 0.0033114600000000, 0.0019224900000000, -0.0009176500000000 ] - [ 0.0023343300000000, 0.0001345200000000, 0.0007202500000000 ] - [ 0.0023427900000000, 0.0000922500000000, 0.0006653100000000 ] - [ 0.0035371500000000, -0.0021953400000000, -0.0007804700000000 ] - [ 0.0035501700000000, -0.0022099700000000, -0.0007507200000000 ] - [ 0.0018141300000000, 0.0001591800000000, 0.0005362000000000 ] - [ 0.0024183600000000, -0.0003343100000000, 0.0009085000000000 ] - [ -0.0012409300000000, -0.0001278200000000, 0.0007554200000000 ] - [ -0.0013311400000000, -0.0003173000000000, 0.0002498500000000 ] - [ 0.0034110500000000, 0.0028678300000000, -0.0004968200000000 ] - [ 0.0007874200000000, -0.0030805200000000, -0.0015296100000000 ] - [ -0.0012464900000000, 0.0002346300000000, 0.0002844500000000 ] - [ -0.0013368900000000, 0.0001109200000000, 0.0004519500000000 ] - [ 0.0004287900000000, 0.0024043900000000, -0.0014122400000000 ] - [ 0.0004208500000000, 0.0023873600000000, -0.0014183800000000 ] - [ -0.0052505100000000, 0.0014216000000000, -0.0038829900000000 ] - [ -0.0052621900000000, 0.0014135700000000, -0.0038118100000000 ] - [ -0.0009162500000000, 0.0006659300000000, -0.0005163900000000 ] - [ -0.0009266800000000, 0.0007554200000000, -0.0002940000000000 ] - [ 0.0012898900000000, 0.0015883900000000, 0.0019684600000000 ] - [ 0.0020790200000000, 0.0006485500000000, 0.0022653300000000 ] - [ -0.0052695100000000, -0.0014636800000000, -0.0037607800000000 ] - [ -0.0052561800000000, -0.0013621900000000, -0.0038572300000000 ] - [ -0.0009145700000000, -0.0006401900000000, -0.0004241300000000 ] - [ -0.0009303700000000, -0.0006098500000000, -0.0004618800000000 ] - [ -0.0006435400000000, 0.0015067500000000, -0.0021034000000000 ] - [ -0.0006406600000000, 0.0015142100000000, -0.0020871800000000 ] - [ 0.0010086600000000, -0.0013210100000000, 0.0023724800000000 ] - [ 0.0010095500000000, -0.0013134200000000, 0.0023711800000000 ] - [ 0.0037115700000000, 0.0002637900000000, 0.0030437700000000 ] - [ 0.0037170600000000, 0.0003371600000000, 0.0031081400000000 ] - [ 0.0007553500000000, -0.0012812300000000, 0.0017125400000000 ] - [ -0.0006218700000000, -0.0012241300000000, -0.0022687600000000 ] - [ 0.0013507400000000, -0.0003312500000000, 0.0006065700000000 ] - [ 0.0012948500000000, -0.0003820500000000, 0.0016113900000000 ] - [ 0.0037220500000000, -0.0003220600000000, 0.0032086600000000 ] - [ 0.0037265300000000, -0.0002557500000000, 0.0029700700000000 ] - [ 0.0012681600000000, 0.0004830100000000, 0.0015991900000000 ] - [ 0.0012682300000000, 0.0004819900000000, 0.0015751400000000 ] - [ -0.0008613100000000, -0.0000474500000000, -0.0023638900000000 ] - [ -0.0007127300000000, 0.0001690800000000, -0.0024150400000000 ] - [ -0.0220732300000000, -0.0107170700000000, -0.0014416900000000 ] - [ -0.0025847900000000, -0.0004207800000000, -0.0008347700000000 ] - [ -0.0007710100000000, -0.0000771200000000, -0.0023780300000000 ] - [ -0.0007511400000000, -0.0001055600000000, -0.0024280600000000 ] - [ -0.0026036000000000, 0.0007334800000000, -0.0008148600000000 ] - [ -0.0026012100000000, 0.0007305200000000, -0.0008135200000000 ] - [ 0.0012148200000000, 0.0011606300000000, 0.0012184300000000 ] - [ 0.0014523600000000, 0.0010142000000000, 0.0006338800000000 ] - [ 0.0013750700000000, 0.0000266800000000, -0.0000702300000000 ] - [ 0.0014059000000000, 0.0000156200000000, 0.0000131600000000 ] - [ 0.0013724100000000, -0.0004451900000000, -0.0001350400000000 ] - [ 0.0012427200000000, -0.0005697200000000, -0.0000874700000000 ] - [ 0.0026061400000000, -0.0027755300000000, 0.0032851000000000 ] - [ 0.0032628600000000, -0.0003450700000000, 0.0034271700000000 ] - [ 0.0016596400000000, -0.0007508100000000, 0.0008683100000000 ] - [ 0.0016650100000000, -0.0007392000000000, 0.0008630700000000 ] - [ 0.0013815100000000, -0.0000795400000000, -0.0000743000000000 ] - [ 0.0013894300000000, 0.0000396300000000, -0.0000291500000000 ] - [ 0.0013377600000000, 0.0004507100000000, -0.0000911700000000 ] - [ 0.0013557700000000, 0.0004773500000000, -0.0000910300000000 ] - [ 0.0031447800000000, 0.0012292300000000, 0.0029850200000000 ] - [ 0.0031451500000000, 0.0012367900000000, 0.0029845700000000 ] - [ -0.0013670400000000, -0.0012938300000000, -0.0011733800000000 ] - [ -0.0013683500000000, -0.0013067100000000, -0.0011575900000000 ] - [ -0.0005413200000000, 0.0007746800000000, -0.0030014700000000 ] - [ -0.0013968400000000, 0.0015044000000000, -0.0011072500000000 ] - [ -0.0009393300000000, 0.0004553900000000, -0.0009867400000000 ] - [ -0.0009386200000000, 0.0005252800000000, -0.0010268800000000 ] - [ -0.0006041700000000, -0.0000263000000000, 0.0011847600000000 ] - [ -0.0013578600000000, -0.0001240100000000, -0.0003165400000000 ] - [ -0.0008879600000000, -0.0003874800000000, -0.0008841100000000 ] - [ -0.0009453700000000, -0.0005187900000000, -0.0011295400000000 ] - [ -0.0013923900000000, 0.0003019100000000, -0.0002694800000000 ] - [ -0.0013896900000000, 0.0002864600000000, -0.0002844500000000 ] - [ -0.0021563200000000, -0.0013026000000000, -0.0005756400000000 ] - [ -0.0023250500000000, -0.0011298900000000, -0.0004825500000000 ] - [ 0.0039755100000000, -0.0004798900000000, 0.0005948900000000 ] - [ -0.0020576700000000, -0.0006191000000000, 0.0011169300000000 ] - [ -0.0022852700000000, 0.0011800900000000, -0.0004829700000000 ] - [ -0.0022940700000000, 0.0012002700000000, -0.0005351500000000 ] - [ -0.0019886600000000, 0.0007620900000000, 0.0010825200000000 ] - [ -0.0019876400000000, 0.0007622800000000, 0.0010797100000000 ] - [ 0.0004739000000000, 0.0012380200000000, 0.0009227900000000 ] - [ 0.0000532700000000, 0.0015272600000000, -0.0003883600000000 ] - [ -0.0004871400000000, -0.0010042300000000, 0.0002020100000000 ] - [ -0.0004913500000000, -0.0009939500000000, 0.0002087000000000 ]- atom: 59 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0006588800000000, -0.0004533600000000, 0.0008762400000000 ] - [ 0.0006556300000000, -0.0005275000000000, 0.0009043900000000 ] - [ -0.0006629200000000, -0.0003727400000000, 0.0020190900000000 ] - [ 0.0002420000000000, -0.0001585600000000, -0.0000756400000000 ] - [ 0.0002005000000000, 0.0001203100000000, 0.0006768800000000 ] - [ 0.0007147000000000, 0.0008042600000000, 0.0009677600000000 ] - [ 0.0003498400000000, 0.0005053800000000, 0.0000098600000000 ] - [ 0.0003364400000000, 0.0004662900000000, -0.0000071400000000 ] - [ -0.0004191000000000, -0.0003284600000000, -0.0003453000000000 ] - [ -0.0053138500000000, -0.0050274900000000, 0.0010560700000000 ] - [ -0.0002105100000000, -0.0006784300000000, 0.0009722700000000 ] - [ -0.0003121100000000, -0.0008250200000000, 0.0013529100000000 ] - [ -0.0006448300000000, 0.0008939800000000, -0.0001799400000000 ] - [ -0.0006488400000000, 0.0009144200000000, -0.0001812100000000 ] - [ -0.0001828700000000, 0.0006950200000000, 0.0009647400000000 ] - [ -0.0002543200000000, 0.0008330800000000, 0.0010807800000000 ] - [ 0.0039212600000000, 0.0018658400000000, -0.0011830600000000 ] - [ 0.0037813700000000, 0.0024805200000000, -0.0005888300000000 ] - [ 0.0023442700000000, 0.0000908100000000, 0.0006895000000000 ] - [ 0.0023357700000000, 0.0001329900000000, 0.0007442200000000 ] - [ 0.0035563700000000, -0.0022085400000000, -0.0007239400000000 ] - [ 0.0035434100000000, -0.0021939700000000, -0.0007536100000000 ] - [ 0.0028622100000000, -0.0003838800000000, 0.0008723800000000 ] - [ 0.0022610900000000, 0.0001074400000000, 0.0005019900000000 ] - [ -0.0013963600000000, -0.0002254200000000, 0.0000274400000000 ] - [ -0.0013053700000000, -0.0000347700000000, 0.0005314000000000 ] - [ -0.0026033100000000, -0.0078052500000000, -0.0023585300000000 ] - [ 0.0000599000000000, -0.0017125100000000, -0.0012670500000000 ] - [ -0.0013898100000000, 0.0001180200000000, 0.0004970700000000 ] - [ -0.0012998200000000, 0.0002410800000000, 0.0003298500000000 ] - [ 0.0004189800000000, 0.0023877700000000, -0.0013801000000000 ] - [ 0.0004269300000000, 0.0024046400000000, -0.0013740900000000 ] - [ -0.0052857900000000, 0.0014065500000000, -0.0038273200000000 ] - [ -0.0052740500000000, 0.0014146000000000, -0.0038985300000000 ] - [ -0.0009261100000000, 0.0005856000000000, -0.0004013400000000 ] - [ -0.0009137300000000, 0.0004953100000000, -0.0006242700000000 ] - [ 0.0007298500000000, 0.0010516300000000, 0.0027589000000000 ] - [ -0.0000643200000000, 0.0020042700000000, 0.0024712700000000 ] - [ -0.0052668600000000, -0.0013646800000000, -0.0039494600000000 ] - [ -0.0052801400000000, -0.0014659400000000, -0.0038530600000000 ] - [ -0.0009283000000000, -0.0006111700000000, -0.0004933700000000 ] - [ -0.0009125700000000, -0.0006414200000000, -0.0004556700000000 ] - [ -0.0006419600000000, 0.0015080300000000, -0.0021040900000000 ] - [ -0.0006448500000000, 0.0015005700000000, -0.0021202400000000 ] - [ 0.0010108900000000, -0.0013177000000000, 0.0023549900000000 ] - [ 0.0010100400000000, -0.0013252800000000, 0.0023562100000000 ] - [ 0.0037202500000000, 0.0003458200000000, 0.0031003200000000 ] - [ 0.0037146800000000, 0.0002723600000000, 0.0030359700000000 ] - [ -0.0020413800000000, -0.0017408100000000, -0.0059424700000000 ] - [ -0.0006630600000000, -0.0017896500000000, -0.0019384300000000 ] - [ 0.0011862900000000, -0.0006313000000000, 0.0025610900000000 ] - [ 0.0012399900000000, -0.0005805700000000, 0.0015530600000000 ] - [ 0.0037099000000000, -0.0002877600000000, 0.0029356400000000 ] - [ 0.0037053800000000, -0.0003535600000000, 0.0031737800000000 ] - [ 0.0012666000000000, 0.0004797400000000, 0.0015646200000000 ] - [ 0.0012665300000000, 0.0004807800000000, 0.0015886400000000 ] - [ -0.0006567100000000, 0.0002314900000000, -0.0024541200000000 ] - [ -0.0008044400000000, 0.0000142900000000, -0.0024012100000000 ] - [ 0.0167669500000000, 0.0092320000000000, -0.0000267000000000 ] - [ -0.0026221800000000, -0.0010478000000000, -0.0008054700000000 ] - [ -0.0007465000000000, -0.0001063300000000, -0.0024386100000000 ] - [ -0.0007663900000000, -0.0000778700000000, -0.0023887400000000 ] - [ -0.0026041600000000, 0.0007371500000000, -0.0008263000000000 ] - [ -0.0026065600000000, 0.0007401000000000, -0.0008276800000000 ] - [ 0.0021121200000000, 0.0003249500000000, 0.0004999000000000 ] - [ 0.0018705300000000, 0.0004708300000000, 0.0010857200000000 ] - [ 0.0014221800000000, 0.0000022000000000, 0.0000013200000000 ] - [ 0.0013915100000000, 0.0000132100000000, -0.0000820800000000 ] - [ 0.0013206600000000, -0.0004799800000000, -0.0000432000000000 ] - [ 0.0014492900000000, -0.0003571200000000, -0.0000908000000000 ] - [ 0.0036639800000000, 0.0003268900000000, 0.0026694000000000 ] - [ 0.0030185500000000, -0.0021134800000000, 0.0025333600000000 ] - [ 0.0016660600000000, -0.0007348800000000, 0.0008501200000000 ] - [ 0.0016606400000000, -0.0007465000000000, 0.0008553600000000 ] - [ 0.0014155300000000, 0.0000504200000000, 0.0000050200000000 ] - [ 0.0014078000000000, -0.0000683400000000, -0.0000397900000000 ] - [ 0.0013557800000000, 0.0004745600000000, -0.0000868400000000 ] - [ 0.0013377400000000, 0.0004479900000000, -0.0000868600000000 ] - [ 0.0031393900000000, 0.0012351300000000, 0.0029721500000000 ] - [ 0.0031390900000000, 0.0012276100000000, 0.0029726300000000 ] - [ -0.0013702200000000, -0.0013025900000000, -0.0011732200000000 ] - [ -0.0013689200000000, -0.0012897500000000, -0.0011889700000000 ] - [ -0.0021893400000000, 0.0018194000000000, 0.0006352800000000 ] - [ -0.0013404400000000, 0.0010925400000000, -0.0012382000000000 ] - [ -0.0009330200000000, 0.0005446400000000, -0.0010601100000000 ] - [ -0.0009336400000000, 0.0004749400000000, -0.0010201100000000 ] - [ -0.0021708600000000, -0.0005557700000000, -0.0017332600000000 ] - [ -0.0014258600000000, -0.0004624700000000, -0.0002515100000000 ] - [ -0.0009839700000000, -0.0006126400000000, -0.0011621300000000 ] - [ -0.0009268200000000, -0.0004813900000000, -0.0009175400000000 ] - [ -0.0013904000000000, 0.0002862200000000, -0.0002981800000000 ] - [ -0.0013931100000000, 0.0003016500000000, -0.0002832900000000 ] - [ -0.0024256800000000, -0.0010764600000000, -0.0004511700000000 ] - [ -0.0022577800000000, -0.0012490400000000, -0.0005440100000000 ] - [ -0.0080375400000000, -0.0010853700000000, 0.0015562500000000 ] - [ -0.0019140900000000, -0.0009051100000000, 0.0010337900000000 ] - [ -0.0022974300000000, 0.0011985400000000, -0.0005437500000000 ] - [ -0.0022885700000000, 0.0011784700000000, -0.0004917400000000 ] - [ -0.0019825600000000, 0.0007626300000000, 0.0010675100000000 ] - [ -0.0019835600000000, 0.0007624500000000, 0.0010702800000000 ] - [ -0.0014522000000000, 0.0007652600000000, -0.0005206600000000 ] - [ -0.0010258000000000, 0.0004775900000000, 0.0007807500000000 ] - [ -0.0004930100000000, -0.0009956600000000, 0.0001956900000000 ] - [ -0.0004888700000000, -0.0010059700000000, 0.0001890500000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006519400000000, -0.0005554700000000, 0.0007838100000000 ] - [ 0.0006615800000000, -0.0004402700000000, 0.0006835400000000 ] - [ 0.0005405400000000, 0.0019719200000000, 0.0025632300000000 ] - [ 0.0000319900000000, -0.0014437100000000, 0.0008014300000000 ] - [ 0.0010336000000000, 0.0012298200000000, 0.0010852600000000 ] - [ 0.0005153500000000, -0.0001625700000000, 0.0005546400000000 ] - [ 0.0003436400000000, 0.0004459700000000, -0.0001535600000000 ] - [ 0.0003610700000000, 0.0005126000000000, -0.0001288700000000 ] - [ -0.0005629600000000, -0.0023537700000000, -0.0001679000000000 ] - [ 0.0016642000000000, 0.0022445500000000, 0.0002296900000000 ] - [ -0.0002325800000000, -0.0009224100000000, 0.0011984500000000 ] - [ -0.0002031200000000, -0.0006015900000000, 0.0004766600000000 ] - [ -0.0006531800000000, 0.0009281300000000, -0.0003200700000000 ] - [ -0.0006472700000000, 0.0008938800000000, -0.0003084900000000 ] - [ -0.0002864900000000, 0.0008737500000000, 0.0009758100000000 ] - [ -0.0001940400000000, 0.0006457500000000, 0.0008050200000000 ] - [ 0.0037303000000000, 0.0030849800000000, 0.0002927400000000 ] - [ 0.0033036200000000, 0.0012983900000000, -0.0011815900000000 ] - [ 0.0023416800000000, 0.0001884800000000, 0.0006166000000000 ] - [ 0.0023370600000000, 0.0000520000000000, 0.0005281100000000 ] - [ 0.0035308700000000, -0.0021901600000000, -0.0009082900000000 ] - [ 0.0035478400000000, -0.0022143500000000, -0.0008579000000000 ] - [ 0.0019684800000000, 0.0002015300000000, 0.0001811800000000 ] - [ 0.0024789600000000, -0.0004325700000000, 0.0009978800000000 ] - [ -0.0012477800000000, 0.0002530300000000, 0.0006398400000000 ] - [ -0.0012880700000000, -0.0006741200000000, 0.0000082200000000 ] - [ 0.0044866400000000, 0.0092424300000000, 0.0014414400000000 ] - [ 0.0007439500000000, -0.0041104700000000, -0.0006973100000000 ] - [ -0.0012510700000000, 0.0002599000000000, 0.0000856900000000 ] - [ -0.0013503200000000, 0.0000743200000000, 0.0003621000000000 ] - [ 0.0004302500000000, 0.0024204600000000, -0.0015751900000000 ] - [ 0.0004161300000000, 0.0023744900000000, -0.0015814200000000 ] - [ -0.0052592900000000, 0.0013930700000000, -0.0038764900000000 ] - [ -0.0052568000000000, 0.0014289100000000, -0.0037124600000000 ] - [ -0.0009398600000000, 0.0004883400000000, -0.0006129900000000 ] - [ -0.0012383900000000, 0.0009980800000000, -0.0000804500000000 ] - [ 0.0014675000000000, 0.0018255600000000, 0.0015255400000000 ] - [ 0.0000843000000000, 0.0027673300000000, 0.0027391600000000 ] - [ -0.0052923400000000, -0.0014817900000000, -0.0037034300000000 ] - [ -0.0052409300000000, -0.0013213500000000, -0.0038185800000000 ] - [ -0.0009144900000000, -0.0006581900000000, -0.0003713600000000 ] - [ -0.0009418300000000, -0.0006072700000000, -0.0004226900000000 ] - [ -0.0006363300000000, 0.0015261600000000, -0.0020396700000000 ] - [ -0.0006350300000000, 0.0015544700000000, -0.0020020700000000 ] - [ 0.0010079500000000, -0.0013113300000000, 0.0024305200000000 ] - [ 0.0010070900000000, -0.0012987600000000, 0.0024273200000000 ] - [ 0.0036642600000000, 0.0002508300000000, 0.0031170700000000 ] - [ 0.0037250300000000, 0.0003959600000000, 0.0031803400000000 ] - [ 0.0000721600000000, -0.0025408200000000, 0.0001706900000000 ] - [ -0.0006165700000000, -0.0010154800000000, -0.0024868300000000 ] - [ 0.0011779200000000, -0.0007736800000000, 0.0007076200000000 ] - [ 0.0014042600000000, -0.0000877900000000, 0.0015614100000000 ] - [ 0.0036918200000000, -0.0003809500000000, 0.0033180100000000 ] - [ 0.0037279200000000, -0.0002604100000000, 0.0029599100000000 ] - [ 0.0012736300000000, 0.0004962600000000, 0.0016628700000000 ] - [ 0.0012742600000000, 0.0004935500000000, 0.0016228600000000 ] - [ -0.0008780400000000, -0.0003801500000000, -0.0021037900000000 ] - [ -0.0006586300000000, 0.0003454600000000, -0.0024822800000000 ] - [ -0.0124926200000000, -0.0285147400000000, -0.0080297600000000 ] - [ -0.0022905600000000, 0.0001614900000000, -0.0007252300000000 ] - [ -0.0007701000000000, -0.0000591800000000, -0.0023278700000000 ] - [ -0.0007405300000000, -0.0001102200000000, -0.0024056900000000 ] - [ -0.0026014600000000, 0.0007105200000000, -0.0007654100000000 ] - [ -0.0025986300000000, 0.0007080500000000, -0.0007619800000000 ] - [ 0.0009328500000000, 0.0015115300000000, 0.0015427700000000 ] - [ 0.0015628100000000, 0.0012008800000000, 0.0002228600000000 ] - [ 0.0013928000000000, -0.0000046700000000, -0.0000831700000000 ] - [ 0.0014216000000000, 0.0000172500000000, 0.0001188200000000 ] - [ 0.0014646600000000, -0.0005285400000000, -0.0002995400000000 ] - [ 0.0014345900000000, -0.0001361900000000, 0.0001936300000000 ] - [ 0.0005870700000000, 0.0065029900000000, 0.0003215900000000 ] - [ 0.0035706300000000, 0.0007885000000000, 0.0033716300000000 ] - [ 0.0016478700000000, -0.0007791400000000, 0.0009363400000000 ] - [ 0.0016596500000000, -0.0007521500000000, 0.0009166700000000 ] - [ 0.0014273900000000, -0.0000962500000000, -0.0000063800000000 ] - [ 0.0013891900000000, 0.0000885600000000, 0.0000221200000000 ] - [ 0.0013163900000000, 0.0004367800000000, -0.0000331300000000 ] - [ 0.0013491100000000, 0.0004837200000000, -0.0000498400000000 ] - [ 0.0031637200000000, 0.0012312500000000, 0.0030445000000000 ] - [ 0.0031636900000000, 0.0012441600000000, 0.0030403000000000 ] - [ -0.0013659100000000, -0.0013107200000000, -0.0011157000000000 ] - [ -0.0013603400000000, -0.0013259700000000, -0.0010786400000000 ] - [ -0.0013904600000000, 0.0004972000000000, -0.0015201800000000 ] - [ -0.0014213400000000, 0.0017401900000000, -0.0010140100000000 ] - [ -0.0009355000000000, 0.0004133400000000, -0.0008963300000000 ] - [ -0.0009511100000000, 0.0005431500000000, -0.0010052500000000 ] - [ -0.0005326100000000, -0.0007091200000000, 0.0006910400000000 ] - [ -0.0015597600000000, 0.0003771900000000, -0.0006530900000000 ] - [ -0.0008591500000000, -0.0002969800000000, -0.0007160600000000 ] - [ -0.0009821400000000, -0.0006284600000000, -0.0011177300000000 ] - [ -0.0013913200000000, 0.0003051900000000, -0.0002070700000000 ] - [ -0.0013884500000000, 0.0002790200000000, -0.0002295500000000 ] - [ -0.0021463000000000, -0.0013995500000000, -0.0005856300000000 ] - [ -0.0023500000000000, -0.0009601800000000, -0.0004382400000000 ] - [ 0.0009428700000000, -0.0016382100000000, 0.0005696300000000 ] - [ -0.0021731000000000, -0.0001134300000000, 0.0008913500000000 ] - [ -0.0022767800000000, 0.0011718900000000, -0.0004239500000000 ] - [ -0.0022990600000000, 0.0011986500000000, -0.0005073200000000 ] - [ -0.0020105300000000, 0.0007637100000000, 0.0011333100000000 ] - [ -0.0020072300000000, 0.0007683700000000, 0.0011296900000000 ] - [ 0.0011964000000000, 0.0017676900000000, 0.0016900400000000 ] - [ -0.0000373500000000, 0.0014983500000000, -0.0005161200000000 ] - [ -0.0004775600000000, -0.0010053200000000, 0.0002658500000000 ] - [ -0.0004857600000000, -0.0009815500000000, 0.0002697100000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006647200000000, -0.0004265300000000, 0.0009697000000000 ] - [ 0.0006549300000000, -0.0005409200000000, 0.0010703000000000 ] - [ 0.0001438000000000, -0.0028933700000000, -0.0024902200000000 ] - [ 0.0006643600000000, 0.0004729700000000, -0.0008326800000000 ] - [ 0.0002803700000000, -0.0002453100000000, 0.0006657700000000 ] - [ 0.0008017000000000, 0.0011456800000000, 0.0012020900000000 ] - [ 0.0003489900000000, 0.0005247800000000, 0.0001290800000000 ] - [ 0.0003315200000000, 0.0004582000000000, 0.0001043000000000 ] - [ -0.0007319800000000, 0.0005453600000000, -0.0002199200000000 ] - [ -0.0028484300000000, -0.0039957700000000, -0.0006443100000000 ] - [ -0.0002356700000000, -0.0006111200000000, 0.0008328600000000 ] - [ -0.0002651400000000, -0.0009290100000000, 0.0015591400000000 ] - [ -0.0006418600000000, 0.0008825600000000, -0.0000668600000000 ] - [ -0.0006478200000000, 0.0009166600000000, -0.0000784100000000 ] - [ -0.0001814400000000, 0.0006585300000000, 0.0010569700000000 ] - [ -0.0002741100000000, 0.0008864700000000, 0.0012292300000000 ] - [ 0.0033639900000000, 0.0013068700000000, -0.0017972700000000 ] - [ 0.0037863100000000, 0.0031090200000000, -0.0003285200000000 ] - [ 0.0023366800000000, 0.0000365500000000, 0.0007945300000000 ] - [ 0.0023413900000000, 0.0001736500000000, 0.0008820500000000 ] - [ 0.0035617500000000, -0.0022131900000000, -0.0005966300000000 ] - [ 0.0035447500000000, -0.0021887300000000, -0.0006468700000000 ] - [ 0.0027115800000000, -0.0004341200000000, 0.0012295000000000 ] - [ 0.0021991200000000, 0.0002091000000000, 0.0004137300000000 ] - [ -0.0013872500000000, -0.0006081800000000, 0.0001467200000000 ] - [ -0.0013494100000000, 0.0003245300000000, 0.0007724900000000 ] - [ -0.0039561400000000, -0.0145300200000000, -0.0044633100000000 ] - [ 0.0001055200000000, -0.0006755700000000, -0.0020961100000000 ] - [ -0.0013862400000000, 0.0000913400000000, 0.0006961300000000 ] - [ -0.0012863800000000, 0.0002785900000000, 0.0004201700000000 ] - [ 0.0004174500000000, 0.0023718700000000, -0.0012164000000000 ] - [ 0.0004316400000000, 0.0024179600000000, -0.0012103700000000 ] - [ -0.0052792000000000, 0.0014336000000000, -0.0038300300000000 ] - [ -0.0052819500000000, 0.0013969000000000, -0.0039940600000000 ] - [ -0.0009041000000000, 0.0007643200000000, -0.0003062000000000 ] - [ -0.0006054900000000, 0.0002492700000000, -0.0008416500000000 ] - [ 0.0005488100000000, 0.0008107800000000, 0.0032109300000000 ] - [ 0.0019144300000000, -0.0001155300000000, 0.0020023800000000 ] - [ -0.0052462400000000, -0.0013441700000000, -0.0040028200000000 ] - [ -0.0052978400000000, -0.0015052700000000, -0.0038885200000000 ] - [ -0.0009298400000000, -0.0005912600000000, -0.0005486600000000 ] - [ -0.0009024100000000, -0.0006423700000000, -0.0004975100000000 ] - [ -0.0006503300000000, 0.0014855500000000, -0.0021714600000000 ] - [ -0.0006516000000000, 0.0014570500000000, -0.0022090900000000 ] - [ 0.0010096300000000, -0.0013257500000000, 0.0022987300000000 ] - [ 0.0010105200000000, -0.0013383200000000, 0.0023018700000000 ] - [ 0.0037666100000000, 0.0003613500000000, 0.0030313000000000 ] - [ 0.0037057500000000, 0.0002163300000000, 0.0029688500000000 ] - [ -0.0013487800000000, -0.0004576600000000, -0.0043706500000000 ] - [ -0.0006700200000000, -0.0019973200000000, -0.0017235100000000 ] - [ 0.0013580500000000, -0.0001841500000000, 0.0024503300000000 ] - [ 0.0011306700000000, -0.0008750700000000, 0.0016012100000000 ] - [ 0.0037384300000000, -0.0002299200000000, 0.0028302100000000 ] - [ 0.0037032300000000, -0.0003524100000000, 0.0031892700000000 ] - [ 0.0012610800000000, 0.0004649000000000, 0.0014981900000000 ] - [ 0.0012605100000000, 0.0004674300000000, 0.0015382400000000 ] - [ -0.0006367400000000, 0.0005654600000000, -0.0027136500000000 ] - [ -0.0008561300000000, -0.0001598500000000, -0.0023341000000000 ] - [ 0.0074700600000000, 0.0275406600000000, 0.0064592600000000 ] - [ -0.0029162800000000, -0.0016307800000000, -0.0009148800000000 ] - [ -0.0007450400000000, -0.0001266500000000, -0.0024899500000000 ] - [ -0.0007742800000000, -0.0000761500000000, -0.0024121400000000 ] - [ -0.0026040200000000, 0.0007576200000000, -0.0008747500000000 ] - [ -0.0026068300000000, 0.0007599500000000, -0.0008781300000000 ] - [ 0.0024001700000000, -0.0000331200000000, 0.0001694300000000 ] - [ 0.0017685200000000, 0.0002885000000000, 0.0014872500000000 ] - [ 0.0014073000000000, 0.0000314700000000, 0.0000181500000000 ] - [ 0.0013792700000000, 0.0000088300000000, -0.0001838700000000 ] - [ 0.0012303600000000, -0.0003969000000000, 0.0001192100000000 ] - [ 0.0012591800000000, -0.0007950900000000, -0.0003766300000000 ] - [ 0.0057551600000000, -0.0091377200000000, 0.0056952900000000 ] - [ 0.0027291800000000, -0.0032154900000000, 0.0026032100000000 ] - [ 0.0016804400000000, -0.0007038100000000, 0.0007796700000000 ] - [ 0.0016685800000000, -0.0007310200000000, 0.0007993600000000 ] - [ 0.0013737800000000, 0.0000702000000000, -0.0000579600000000 ] - [ 0.0014111800000000, -0.0001153900000000, -0.0000877800000000 ] - [ 0.0013794100000000, 0.0004906600000000, -0.0001475600000000 ] - [ 0.0013466600000000, 0.0004436100000000, -0.0001311800000000 ] - [ 0.0031231700000000, 0.0012349400000000, 0.0029147500000000 ] - [ 0.0031232600000000, 0.0012220300000000, 0.0029188900000000 ] - [ -0.0013702400000000, -0.0012869500000000, -0.0012319700000000 ] - [ -0.0013759100000000, -0.0012719900000000, -0.0012690800000000 ] - [ -0.0013542900000000, 0.0021037800000000, -0.0008113600000000 ] - [ -0.0013148100000000, 0.0008562400000000, -0.0013348000000000 ] - [ -0.0009355800000000, 0.0005889100000000, -0.0011483500000000 ] - [ -0.0009200800000000, 0.0004591000000000, -0.0010387700000000 ] - [ -0.0022561900000000, 0.0001133500000000, -0.0012649300000000 ] - [ -0.0012218600000000, -0.0009676900000000, 0.0000891100000000 ] - [ -0.0010117200000000, -0.0007048200000000, -0.0013296700000000 ] - [ -0.0008891000000000, -0.0003749500000000, -0.0009258200000000 ] - [ -0.0013919600000000, 0.0002827300000000, -0.0003613500000000 ] - [ -0.0013948300000000, 0.0003087300000000, -0.0003387300000000 ] - [ -0.0024380700000000, -0.0009763800000000, -0.0004431800000000 ] - [ -0.0022346000000000, -0.0014169100000000, -0.0005882200000000 ] - [ -0.0049263900000000, 0.0001313800000000, 0.0015852400000000 ] - [ -0.0018000800000000, -0.0014111000000000, 0.0012602700000000 ] - [ -0.0023080500000000, 0.0012049200000000, -0.0006038500000000 ] - [ -0.0022859200000000, 0.0011776100000000, -0.0005204100000000 ] - [ -0.0019635700000000, 0.0007590500000000, 0.0010172100000000 ] - [ -0.0019669200000000, 0.0007543000000000, 0.0010208000000000 ] - [ -0.0021965900000000, 0.0002212800000000, -0.0013113300000000 ] - [ -0.0009458800000000, 0.0004996800000000, 0.0009104900000000 ] - [ -0.0005052400000000, -0.0009927500000000, 0.0001281400000000 ] - [ -0.0004970900000000, -0.0010165800000000, 0.0001244500000000 ]- atom: 59 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0006492100000000, -0.0004947400000000, 0.0005918000000000 ] - [ 0.0006582000000000, -0.0005167700000000, 0.0005210300000000 ] - [ -0.0007430400000000, 0.0032937000000000, 0.0081336400000000 ] - [ 0.0003740900000000, -0.0006222400000000, 0.0004766300000000 ] - [ 0.0007562200000000, 0.0011630000000000, 0.0004713100000000 ] - [ 0.0005849600000000, 0.0001122300000000, 0.0008038500000000 ] - [ 0.0003519800000000, 0.0004416400000000, -0.0003006000000000 ] - [ 0.0003637800000000, 0.0005067900000000, -0.0003043700000000 ] - [ -0.0007448600000000, -0.0013728200000000, 0.0005288800000000 ] - [ -0.0025604000000000, -0.0012946300000000, 0.0018465800000000 ] - [ -0.0002090500000000, -0.0007522200000000, 0.0010019700000000 ] - [ -0.0002260000000000, -0.0007685100000000, 0.0005461100000000 ] - [ -0.0006533500000000, 0.0009237000000000, -0.0004723200000000 ] - [ -0.0006527000000000, 0.0009129900000000, -0.0004579600000000 ] - [ -0.0002755200000000, 0.0008655700000000, 0.0007308700000000 ] - [ -0.0002077600000000, 0.0006724300000000, 0.0007648100000000 ] - [ 0.0036785900000000, 0.0028439400000000, 0.0000038000000000 ] - [ 0.0034213100000000, 0.0017637300000000, -0.0004404800000000 ] - [ 0.0023431500000000, 0.0001826300000000, 0.0003755400000000 ] - [ 0.0023305600000000, 0.0000789100000000, 0.0004058800000000 ] - [ 0.0035304400000000, -0.0022084800000000, -0.0010751500000000 ] - [ 0.0035381100000000, -0.0021991900000000, -0.0010212700000000 ] - [ 0.0021596900000000, -0.0006298400000000, 0.0001840300000000 ] - [ 0.0024084500000000, -0.0000594900000000, 0.0008056100000000 ] - [ -0.0014613500000000, 0.0003023100000000, -0.0002001100000000 ] - [ -0.0012763700000000, -0.0005767800000000, 0.0000668000000000 ] - [ 0.0013604100000000, 0.0004341600000000, 0.0017744700000000 ] - [ 0.0003524500000000, -0.0025593200000000, -0.0000772100000000 ] - [ -0.0013057500000000, 0.0001083500000000, -0.0001262300000000 ] - [ -0.0013183300000000, 0.0001973000000000, 0.0001298700000000 ] - [ 0.0004239600000000, 0.0024093000000000, -0.0018182300000000 ] - [ 0.0004184200000000, 0.0023888000000000, -0.0017970900000000 ] - [ -0.0052785700000000, 0.0013533200000000, -0.0037597400000000 ] - [ -0.0052444300000000, 0.0014335600000000, -0.0037034200000000 ] - [ -0.0009625900000000, 0.0004223200000000, -0.0005569700000000 ] - [ -0.0013145700000000, 0.0010236300000000, -0.0001035500000000 ] - [ 0.0012542000000000, 0.0016872600000000, 0.0015871100000000 ] - [ 0.0003553900000000, 0.0019302500000000, 0.0018400600000000 ] - [ -0.0052787700000000, -0.0014284500000000, -0.0035734100000000 ] - [ -0.0052566900000000, -0.0013774000000000, -0.0037928200000000 ] - [ -0.0009255900000000, -0.0006556500000000, -0.0002860300000000 ] - [ -0.0009361700000000, -0.0006336600000000, -0.0003656400000000 ] - [ -0.0006229200000000, 0.0015738900000000, -0.0019181800000000 ] - [ -0.0006279600000000, 0.0015952000000000, -0.0019077800000000 ] - [ 0.0010065700000000, -0.0012906300000000, 0.0025153000000000 ] - [ 0.0010075000000000, -0.0012870800000000, 0.0025006600000000 ] - [ 0.0036562700000000, 0.0003508800000000, 0.0032758900000000 ] - [ 0.0037050200000000, 0.0003856400000000, 0.0032218900000000 ] - [ 0.0026440600000000, -0.0003781200000000, 0.0034315900000000 ] - [ -0.0006493400000000, -0.0013520700000000, -0.0023920500000000 ] - [ 0.0005409200000000, -0.0014590500000000, 0.0031761200000000 ] - [ 0.0013094000000000, -0.0003182400000000, 0.0014434600000000 ] - [ 0.0035950200000000, -0.0002414900000000, 0.0032895000000000 ] - [ 0.0037459900000000, -0.0004046700000000, 0.0031474300000000 ] - [ 0.0012778100000000, 0.0005262100000000, 0.0017402400000000 ] - [ 0.0012843300000000, 0.0005031000000000, 0.0017060000000000 ] - [ -0.0007806600000000, -0.0001824900000000, -0.0021592700000000 ] - [ -0.0007350300000000, 0.0001954700000000, -0.0024372800000000 ] - [ -0.0026057700000000, -0.0077044100000000, -0.0226256000000000 ] - [ -0.0026195500000000, -0.0006509700000000, -0.0010966200000000 ] - [ -0.0007913700000000, -0.0000181700000000, -0.0022909800000000 ] - [ -0.0007275400000000, -0.0001191600000000, -0.0023411300000000 ] - [ -0.0025983800000000, 0.0006808100000000, -0.0006937800000000 ] - [ -0.0025971200000000, 0.0006774400000000, -0.0006929200000000 ] - [ 0.0013143500000000, 0.0011515500000000, 0.0009732000000000 ] - [ 0.0017693400000000, 0.0002194700000000, 0.0006352700000000 ] - [ 0.0014582200000000, -0.0000500500000000, 0.0000661600000000 ] - [ 0.0014214400000000, 0.0000214900000000, 0.0001217000000000 ] - [ 0.0014283600000000, -0.0005687500000000, -0.0002097700000000 ] - [ 0.0016113500000000, 0.0000183000000000, 0.0001679000000000 ] - [ 0.0033306900000000, -0.0029964100000000, 0.0022560200000000 ] - [ 0.0034065800000000, -0.0004824400000000, 0.0026520400000000 ] - [ 0.0016371100000000, -0.0008041300000000, 0.0010253000000000 ] - [ 0.0016435200000000, -0.0007913400000000, 0.0010045400000000 ] - [ 0.0015119500000000, -0.0000341500000000, 0.0001687000000000 ] - [ 0.0014068700000000, 0.0000283200000000, 0.0000375100000000 ] - [ 0.0012967000000000, 0.0004394900000000, 0.0000604000000000 ] - [ 0.0013205200000000, 0.0004652900000000, 0.0000071700000000 ] - [ 0.0031905500000000, 0.0012398400000000, 0.0031294500000000 ] - [ 0.0031853600000000, 0.0012459000000000, 0.0031145700000000 ] - [ -0.0013624900000000, -0.0013489400000000, -0.0010043300000000 ] - [ -0.0013517800000000, -0.0013374400000000, -0.0009922900000000 ] - [ -0.0027342300000000, 0.0011958400000000, 0.0007660400000000 ] - [ -0.0014348400000000, 0.0013516300000000, -0.0012947200000000 ] - [ -0.0009581000000000, 0.0004450600000000, -0.0008285300000000 ] - [ -0.0009599900000000, 0.0004791600000000, -0.0009215900000000 ] - [ -0.0002951200000000, 0.0000313500000000, 0.0005162400000000 ] - [ -0.0013730800000000, -0.0001780500000000, -0.0004965100000000 ] - [ -0.0008538200000000, -0.0002288400000000, -0.0008480800000000 ] - [ -0.0010267800000000, -0.0006701700000000, -0.0009553300000000 ] - [ -0.0013879400000000, 0.0003060100000000, -0.0001346100000000 ] - [ -0.0013877000000000, 0.0002735800000000, -0.0001383000000000 ] - [ -0.0023771600000000, -0.0012755700000000, -0.0003727300000000 ] - [ -0.0022940400000000, -0.0010386200000000, -0.0004753300000000 ] - [ -0.0018189500000000, -0.0010268500000000, 0.0002525300000000 ] - [ -0.0019216200000000, -0.0005227900000000, 0.0007907000000000 ] - [ -0.0022596100000000, 0.0012063100000000, -0.0003784500000000 ] - [ -0.0022964600000000, 0.0011609600000000, -0.0004285600000000 ] - [ -0.0020357800000000, 0.0007740200000000, 0.0012066800000000 ] - [ -0.0020327400000000, 0.0007733400000000, 0.0011990300000000 ] - [ -0.0001297700000000, 0.0011878800000000, 0.0004577100000000 ] - [ -0.0006026700000000, 0.0009299600000000, -0.0000978700000000 ] - [ -0.0004656200000000, -0.0009915100000000, 0.0003667600000000 ] - [ -0.0004715600000000, -0.0009823900000000, 0.0003508100000000 ]- atom: 59 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0006675600000000, -0.0004868900000000, 0.0011593000000000 ] - [ 0.0006586100000000, -0.0004648800000000, 0.0012293700000000 ] - [ 0.0013931000000000, -0.0040799700000000, -0.0078623400000000 ] - [ 0.0003168400000000, -0.0003521800000000, -0.0004958700000000 ] - [ 0.0005610500000000, -0.0001804000000000, 0.0012737900000000 ] - [ 0.0007318600000000, 0.0008687900000000, 0.0009463300000000 ] - [ 0.0003412600000000, 0.0005292400000000, 0.0002741100000000 ] - [ 0.0003293600000000, 0.0004639200000000, 0.0002779100000000 ] - [ -0.0005495300000000, -0.0004413800000000, -0.0009147500000000 ] - [ 0.0012663800000000, -0.0005073300000000, -0.0022106700000000 ] - [ -0.0002579900000000, -0.0007804900000000, 0.0010312800000000 ] - [ -0.0002410100000000, -0.0007631100000000, 0.0014830100000000 ] - [ -0.0006412800000000, 0.0008860500000000, 0.0000845800000000 ] - [ -0.0006419400000000, 0.0008967600000000, 0.0000703300000000 ] - [ -0.0001915700000000, 0.0006665300000000, 0.0012998100000000 ] - [ -0.0002595100000000, 0.0008601100000000, 0.0012658700000000 ] - [ 0.0034181300000000, 0.0015649800000000, -0.0014988400000000 ] - [ 0.0036714900000000, 0.0026385800000000, -0.0010593900000000 ] - [ 0.0023355800000000, 0.0000439400000000, 0.0010325500000000 ] - [ 0.0023480300000000, 0.0001466500000000, 0.0010022600000000 ] - [ 0.0035634200000000, -0.0021971800000000, -0.0004309200000000 ] - [ 0.0035556900000000, -0.0022064900000000, -0.0004849300000000 ] - [ 0.0025189400000000, 0.0004058500000000, 0.0012209100000000 ] - [ 0.0022700800000000, -0.0001660900000000, 0.0006022300000000 ] - [ -0.0011781200000000, -0.0006490700000000, 0.0009791500000000 ] - [ -0.0013604900000000, 0.0002216800000000, 0.0007122500000000 ] - [ -0.0005445300000000, -0.0052652800000000, -0.0045622900000000 ] - [ 0.0004945800000000, -0.0022307900000000, -0.0027094800000000 ] - [ -0.0013320100000000, 0.0002427300000000, 0.0009054000000000 ] - [ -0.0013190700000000, 0.0001536200000000, 0.0006487800000000 ] - [ 0.0004230800000000, 0.0023827900000000, -0.0009771800000000 ] - [ 0.0004285900000000, 0.0024030100000000, -0.0009983200000000 ] - [ -0.0052567300000000, 0.0014755800000000, -0.0039521500000000 ] - [ -0.0052904400000000, 0.0013960100000000, -0.0040079600000000 ] - [ -0.0008796900000000, 0.0008284400000000, -0.0003605500000000 ] - [ -0.0005321300000000, 0.0002321100000000, -0.0008094400000000 ] - [ 0.0007671400000000, 0.0009535300000000, 0.0031383200000000 ] - [ 0.0016644900000000, 0.0007090700000000, 0.0028801100000000 ] - [ -0.0052559600000000, -0.0014007100000000, -0.0041383000000000 ] - [ -0.0052784500000000, -0.0014520100000000, -0.0039186900000000 ] - [ -0.0009167900000000, -0.0005966900000000, -0.0006292400000000 ] - [ -0.0009061900000000, -0.0006186900000000, -0.0005495500000000 ] - [ -0.0006619400000000, 0.0014424800000000, -0.0022866900000000 ] - [ -0.0006569500000000, 0.0014214100000000, -0.0022969200000000 ] - [ 0.0010142000000000, -0.0013487500000000, 0.0022121000000000 ] - [ 0.0010132600000000, -0.0013522800000000, 0.0022266700000000 ] - [ 0.0037753700000000, 0.0002571500000000, 0.0028671700000000 ] - [ 0.0037271600000000, 0.0002227600000000, 0.0029206700000000 ] - [ -0.0040023700000000, -0.0026683500000000, -0.0077369100000000 ] - [ -0.0006354800000000, -0.0016645100000000, -0.0018136800000000 ] - [ 0.0019778100000000, 0.0004794500000000, 0.0000231700000000 ] - [ 0.0012259000000000, -0.0006442400000000, 0.0017210000000000 ] - [ 0.0038375800000000, -0.0003669900000000, 0.0028533800000000 ] - [ 0.0036862500000000, -0.0002040000000000, 0.0029958700000000 ] - [ 0.0012573100000000, 0.0004380600000000, 0.0014267800000000 ] - [ 0.0012507800000000, 0.0004612300000000, 0.0014610700000000 ] - [ -0.0007389500000000, 0.0003613000000000, -0.0026558500000000 ] - [ -0.0007831200000000, -0.0000123700000000, -0.0023792900000000 ] - [ -0.0025077600000000, 0.0060797500000000, 0.0207646000000000 ] - [ -0.0025889900000000, -0.0008197900000000, -0.0005456200000000 ] - [ -0.0007271200000000, -0.0001638500000000, -0.0025247600000000 ] - [ -0.0007910900000000, -0.0000627300000000, -0.0024745900000000 ] - [ -0.0026104400000000, 0.0007909400000000, -0.0009470100000000 ] - [ -0.0026117100000000, 0.0007943200000000, -0.0009478800000000 ] - [ 0.0020075900000000, 0.0003374300000000, 0.0007484800000000 ] - [ 0.0015569000000000, 0.0012694900000000, 0.0010828400000000 ] - [ 0.0013378300000000, 0.0000792700000000, -0.0001364000000000 ] - [ 0.0013744100000000, 0.0000083600000000, -0.0001915200000000 ] - [ 0.0012648000000000, -0.0003566900000000, 0.0000318800000000 ] - [ 0.0010845800000000, -0.0009384300000000, -0.0003416300000000 ] - [ 0.0029479600000000, 0.0005493000000000, 0.0036830700000000 ] - [ 0.0028766900000000, -0.0019757800000000, 0.0032991100000000 ] - [ 0.0016869500000000, -0.0006834900000000, 0.0006966400000000 ] - [ 0.0016805400000000, -0.0006964200000000, 0.0007170400000000 ] - [ 0.0012834200000000, 0.0000047400000000, -0.0002383900000000 ] - [ 0.0013889600000000, -0.0000581000000000, -0.0001075000000000 ] - [ 0.0013955400000000, 0.0004852800000000, -0.0002356700000000 ] - [ 0.0013716200000000, 0.0004594900000000, -0.0001824500000000 ] - [ 0.0030919700000000, 0.0012242300000000, 0.0028274300000000 ] - [ 0.0030972200000000, 0.0012182000000000, 0.0028423200000000 ] - [ -0.0013754400000000, -0.0012474600000000, -0.0013407800000000 ] - [ -0.0013860800000000, -0.0012588800000000, -0.0013526400000000 ] - [ 0.0000305700000000, 0.0013974400000000, -0.0031548500000000 ] - [ -0.0013027200000000, 0.0012449400000000, -0.0010504800000000 ] - [ -0.0009146000000000, 0.0005544000000000, -0.0012180300000000 ] - [ -0.0009127200000000, 0.0005206900000000, -0.0011258100000000 ] - [ -0.0024716200000000, -0.0006122800000000, -0.0010711600000000 ] - [ -0.0014103000000000, -0.0004073800000000, -0.0000734000000000 ] - [ -0.0010187700000000, -0.0007718500000000, -0.0011982300000000 ] - [ -0.0008462500000000, -0.0003295800000000, -0.0010910600000000 ] - [ -0.0013944700000000, 0.0002814800000000, -0.0004317600000000 ] - [ -0.0013946600000000, 0.0003139800000000, -0.0004281100000000 ] - [ -0.0022047700000000, -0.0011051100000000, -0.0006529800000000 ] - [ -0.0022869700000000, -0.0013396800000000, -0.0005511000000000 ] - [ -0.0021405900000000, -0.0004939200000000, 0.0018930100000000 ] - [ -0.0020471500000000, -0.0010024700000000, 0.0013577300000000 ] - [ -0.0023211600000000, 0.0011733900000000, -0.0006474300000000 ] - [ -0.0022843300000000, 0.0012187300000000, -0.0005972300000000 ] - [ -0.0019338800000000, 0.0007523100000000, 0.0009439400000000 ] - [ -0.0019368800000000, 0.0007530400000000, 0.0009515900000000 ] - [ -0.0008386000000000, 0.0008202900000000, -0.0000512300000000 ] - [ -0.0003777300000000, 0.0010681700000000, 0.0004995600000000 ] - [ -0.0005126400000000, -0.0010097100000000, 0.0000346200000000 ] - [ -0.0005067600000000, -0.0010187600000000, 0.0000505100000000 ]- atom: 65 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0006639500000000, -0.0005011500000000, 0.0009300200000000 ] - [ 0.0006575100000000, -0.0004751500000000, 0.0009349700000000 ] - [ 0.0002645500000000, -0.0002748100000000, 0.0001797500000000 ] - [ 0.0005158800000000, -0.0005914500000000, -0.0000443400000000 ] - [ 0.0010436400000000, 0.0008508700000000, 0.0005954800000000 ] - [ 0.0021060200000000, 0.0025587300000000, 0.0036776100000000 ] - [ 0.0003441900000000, 0.0004677300000000, 0.0000502600000000 ] - [ 0.0003485400000000, 0.0005060000000000, 0.0000245500000000 ] - [ 0.0010947100000000, -0.0031975500000000, 0.0019488500000000 ] - [ -0.0006767800000000, -0.0003526900000000, -0.0005337700000000 ] - [ -0.0002570800000000, -0.0008065300000000, 0.0010166400000000 ] - [ -0.0002273600000000, -0.0007250700000000, 0.0011115700000000 ] - [ -0.0006476800000000, 0.0009088500000000, -0.0001492900000000 ] - [ -0.0006462300000000, 0.0008978100000000, -0.0001414900000000 ] - [ -0.0002735800000000, 0.0008101000000000, 0.0010068000000000 ] - [ -0.0001926400000000, 0.0007856300000000, 0.0012575900000000 ] - [ 0.0034206700000000, 0.0020463700000000, -0.0003828300000000 ] - [ 0.0036049000000000, 0.0023369600000000, -0.0009168600000000 ] - [ 0.0023338100000000, 0.0001038600000000, 0.0007716800000000 ] - [ 0.0023417400000000, 0.0001166000000000, 0.0007496900000000 ] - [ 0.0035470400000000, -0.0022212000000000, -0.0007128200000000 ] - [ 0.0035474800000000, -0.0021851700000000, -0.0006881900000000 ] - [ 0.0015149200000000, -0.0005022500000000, 0.0002760700000000 ] - [ 0.0020758400000000, 0.0002093700000000, 0.0008874000000000 ] - [ -0.0012821600000000, -0.0002101000000000, 0.0005185400000000 ] - [ -0.0013342900000000, -0.0001328900000000, 0.0004013600000000 ] - [ 0.0096227900000000, -0.0083011100000000, -0.0097290300000000 ] - [ 0.0002296100000000, -0.0019724200000000, -0.0013512600000000 ] - [ -0.0012876300000000, 0.0000888300000000, 0.0003424000000000 ] - [ -0.0013113100000000, 0.0002963800000000, 0.0004826400000000 ] - [ 0.0004247300000000, 0.0023871200000000, -0.0013256700000000 ] - [ 0.0004242500000000, 0.0024032200000000, -0.0013225300000000 ] - [ -0.0052655100000000, 0.0014248300000000, -0.0038937300000000 ] - [ -0.0052744900000000, 0.0014059200000000, -0.0038719600000000 ] - [ -0.0009390100000000, 0.0006585300000000, -0.0005108200000000 ] - [ -0.0009140300000000, 0.0005764400000000, -0.0004836900000000 ] - [ 0.0015835900000000, 0.0020352300000000, 0.0020009800000000 ] - [ 0.0010146500000000, 0.0010881900000000, 0.0024464600000000 ] - [ -0.0052704300000000, -0.0013871900000000, -0.0037516900000000 ] - [ -0.0053630700000000, -0.0015039300000000, -0.0040019500000000 ] - [ -0.0009144100000000, -0.0006186800000000, -0.0004402600000000 ] - [ -0.0009012300000000, -0.0006298300000000, -0.0004993800000000 ] - [ -0.0006474500000000, 0.0014945600000000, -0.0021394800000000 ] - [ -0.0006451700000000, 0.0014906400000000, -0.0021378800000000 ] - [ 0.0010093500000000, -0.0013222100000000, 0.0023455000000000 ] - [ 0.0010094800000000, -0.0013250300000000, 0.0023351400000000 ] - [ 0.0037185000000000, 0.0002903700000000, 0.0030299700000000 ] - [ 0.0037193400000000, 0.0002990500000000, 0.0030558500000000 ] - [ 0.0005286600000000, -0.0036864700000000, -0.0009057100000000 ] - [ -0.0007054500000000, -0.0016150400000000, -0.0020243700000000 ] - [ 0.0012203500000000, -0.0004448600000000, 0.0014931200000000 ] - [ 0.0012697200000000, -0.0005103800000000, 0.0016368000000000 ] - [ 0.0037041100000000, -0.0002596300000000, 0.0032709500000000 ] - [ 0.0037808400000000, -0.0004166000000000, 0.0031074500000000 ] - [ 0.0012633400000000, 0.0004931200000000, 0.0015651100000000 ] - [ 0.0012658100000000, 0.0004590500000000, 0.0015501700000000 ] - [ -0.0007626100000000, 0.0000914200000000, -0.0024422800000000 ] - [ -0.0007562100000000, 0.0001019400000000, -0.0024096200000000 ] - [ -0.0030512400000000, -0.0014661500000000, -0.0011826000000000 ] - [ -0.0028128200000000, -0.0008359200000000, -0.0007226000000000 ] - [ -0.0008124100000000, -0.0000332200000000, -0.0024143500000000 ] - [ -0.0007402500000000, -0.0001315000000000, -0.0024230700000000 ] - [ -0.0026070100000000, 0.0007504700000000, -0.0008456900000000 ] - [ -0.0026016400000000, 0.0007387300000000, -0.0008391600000000 ] - [ -0.0216402100000000, 0.0094483700000000, 0.0039797200000000 ] - [ 0.0017036300000000, 0.0005952300000000, 0.0008883100000000 ] - [ 0.0013870300000000, 0.0000254400000000, -0.0000522900000000 ] - [ 0.0013986300000000, 0.0000084200000000, -0.0000514200000000 ] - [ 0.0013698900000000, -0.0004250400000000, -0.0000714300000000 ] - [ 0.0013477100000000, -0.0005098600000000, -0.0001062100000000 ] - [ 0.0018668800000000, -0.0010481700000000, 0.0036382100000000 ] - [ 0.0031679600000000, -0.0013689200000000, 0.0030068000000000 ] - [ 0.0016681200000000, -0.0007332100000000, 0.0008318000000000 ] - [ 0.0016681900000000, -0.0007317000000000, 0.0008309700000000 ] - [ 0.0014021400000000, 0.0000179000000000, 0.0000055700000000 ] - [ 0.0012920500000000, 0.0000613200000000, -0.0000171500000000 ] - [ 0.0013441300000000, 0.0004632700000000, -0.0000935800000000 ] - [ 0.0013431100000000, 0.0004497500000000, -0.0001337700000000 ] - [ 0.0031360100000000, 0.0012312900000000, 0.0029584500000000 ] - [ 0.0031336100000000, 0.0012310200000000, 0.0029500900000000 ] - [ -0.0013681800000000, -0.0012871800000000, -0.0012052900000000 ] - [ -0.0013721900000000, -0.0012951000000000, -0.0012021000000000 ] - [ -0.0009832300000000, 0.0025312600000000, -0.0010671000000000 ] - [ -0.0008827800000000, 0.0001275300000000, -0.0017501700000000 ] - [ -0.0009295800000000, 0.0005050300000000, -0.0010547600000000 ] - [ -0.0009332800000000, 0.0005100000000000, -0.0010405100000000 ] - [ -0.0013741800000000, -0.0004243800000000, -0.0004399700000000 ] - [ -0.0013831600000000, -0.0002007100000000, -0.0001373900000000 ] - [ -0.0003938400000000, -0.0007192600000000, -0.0018233300000000 ] - [ -0.0010025800000000, -0.0005891300000000, -0.0010437700000000 ] - [ -0.0013938000000000, 0.0003108200000000, -0.0003269200000000 ] - [ -0.0013932100000000, 0.0002825000000000, -0.0003032900000000 ] - [ -0.0023024000000000, -0.0011896600000000, -0.0005647400000000 ] - [ -0.0022910300000000, -0.0011976300000000, -0.0005056700000000 ] - [ -0.0001574200000000, -0.0016443200000000, 0.0006799100000000 ] - [ -0.0015175600000000, -0.0014479900000000, 0.0011732500000000 ] - [ -0.0022446300000000, 0.0012490900000000, -0.0005254500000000 ] - [ -0.0023088600000000, 0.0011518100000000, -0.0005331000000000 ] - [ -0.0019751600000000, 0.0007644300000000, 0.0010545000000000 ] - [ -0.0019801400000000, 0.0007557400000000, 0.0010517500000000 ] - [ 0.0079353800000000, 0.0017762400000000, 0.0006737100000000 ] - [ -0.0004416400000000, 0.0007822300000000, 0.0002229200000000 ] - [ -0.0004944400000000, -0.0010012000000000, 0.0001696200000000 ] - [ -0.0004942500000000, -0.0010020100000000, 0.0001708600000000 ]- atom: 65 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0006529400000000, -0.0004805000000000, 0.0008217800000000 ] - [ 0.0006593800000000, -0.0005064100000000, 0.0008168100000000 ] - [ 0.0004278500000000, -0.0006965600000000, -0.0002060200000000 ] - [ 0.0001754400000000, -0.0003785900000000, 0.0000195800000000 ] - [ 0.0002732200000000, 0.0001306000000000, 0.0011601900000000 ] - [ -0.0007558800000000, -0.0015749500000000, -0.0019197500000000 ] - [ 0.0003483700000000, 0.0005029600000000, -0.0000763900000000 ] - [ 0.0003440200000000, 0.0004647200000000, -0.0000503400000000 ] - [ -0.0023055900000000, 0.0013078200000000, -0.0022473700000000 ] - [ -0.0006190300000000, -0.0014596000000000, 0.0001467800000000 ] - [ -0.0002104700000000, -0.0007256100000000, 0.0010152000000000 ] - [ -0.0002403500000000, -0.0008066300000000, 0.0009206900000000 ] - [ -0.0006473400000000, 0.0009020800000000, -0.0002392400000000 ] - [ -0.0006488300000000, 0.0009131000000000, -0.0002470100000000 ] - [ -0.0001942100000000, 0.0007221200000000, 0.0010264500000000 ] - [ -0.0002752400000000, 0.0007472900000000, 0.0007758300000000 ] - [ 0.0036746800000000, 0.0023573100000000, -0.0011242000000000 ] - [ 0.0034886100000000, 0.0020678600000000, -0.0005895100000000 ] - [ 0.0023445900000000, 0.0001218800000000, 0.0006373400000000 ] - [ 0.0023365600000000, 0.0001090500000000, 0.0006591700000000 ] - [ 0.0035461100000000, -0.0021824400000000, -0.0007934800000000 ] - [ 0.0035457100000000, -0.0022186400000000, -0.0008178600000000 ] - [ 0.0031560400000000, 0.0002737100000000, 0.0011433700000000 ] - [ 0.0026009500000000, -0.0004358400000000, 0.0005244900000000 ] - [ -0.0013547900000000, -0.0001424900000000, 0.0002614000000000 ] - [ -0.0013022100000000, -0.0002197200000000, 0.0003789000000000 ] - [ -0.0090313900000000, 0.0037567900000000, 0.0072482000000000 ] - [ 0.0006156000000000, -0.0028231700000000, -0.0014366500000000 ] - [ -0.0013475800000000, 0.0002672600000000, 0.0004345900000000 ] - [ -0.0013254600000000, 0.0000552300000000, 0.0002971900000000 ] - [ 0.0004230800000000, 0.0024053300000000, -0.0014679500000000 ] - [ 0.0004235900000000, 0.0023890200000000, -0.0014711800000000 ] - [ -0.0052723200000000, 0.0014021900000000, -0.0038134500000000 ] - [ -0.0052632800000000, 0.0014211100000000, -0.0038352700000000 ] - [ -0.0009046300000000, 0.0005919800000000, -0.0004079000000000 ] - [ -0.0009296300000000, 0.0006740200000000, -0.0004351700000000 ] - [ 0.0004343800000000, 0.0006008100000000, 0.0027283300000000 ] - [ 0.0010038700000000, 0.0015493000000000, 0.0022823100000000 ] - [ -0.0052668900000000, -0.0014404300000000, -0.0039567100000000 ] - [ -0.0051716200000000, -0.0013216300000000, -0.0037037400000000 ] - [ -0.0009292700000000, -0.0006317900000000, -0.0004786000000000 ] - [ -0.0009424800000000, -0.0006205000000000, -0.0004191900000000 ] - [ -0.0006386700000000, 0.0015188600000000, -0.0020692000000000 ] - [ -0.0006409800000000, 0.0015227800000000, -0.0020707900000000 ] - [ 0.0010088600000000, -0.0013152500000000, 0.0023838900000000 ] - [ 0.0010087800000000, -0.0013123600000000, 0.0023942200000000 ] - [ 0.0037124000000000, 0.0003213000000000, 0.0031178300000000 ] - [ 0.0037115700000000, 0.0003124800000000, 0.0030918500000000 ] - [ -0.0018252000000000, 0.0006977200000000, -0.0033099100000000 ] - [ -0.0005792700000000, -0.0013934500000000, -0.0021887200000000 ] - [ 0.0013141400000000, -0.0005168400000000, 0.0016699400000000 ] - [ 0.0012649800000000, -0.0004512600000000, 0.0015257200000000 ] - [ 0.0037292300000000, -0.0003555600000000, 0.0028801400000000 ] - [ 0.0036502100000000, -0.0001938300000000, 0.0030392700000000 ] - [ 0.0012714300000000, 0.0004687100000000, 0.0015977800000000 ] - [ 0.0012688400000000, 0.0005027700000000, 0.0016125900000000 ] - [ -0.0007528900000000, 0.0000937600000000, -0.0023747200000000 ] - [ -0.0007595200000000, 0.0000830600000000, -0.0024072600000000 ] - [ -0.0021513200000000, 0.0000018500000000, -0.0004560700000000 ] - [ -0.0023936900000000, -0.0006314100000000, -0.0009197500000000 ] - [ -0.0007037700000000, -0.0001513800000000, -0.0024025200000000 ] - [ -0.0007755000000000, -0.0000532000000000, -0.0023942700000000 ] - [ -0.0025991100000000, 0.0007183100000000, -0.0007940200000000 ] - [ -0.0026045000000000, 0.0007300800000000, -0.0008006100000000 ] - [ 0.0252349200000000, -0.0081486700000000, -0.0026331700000000 ] - [ 0.0016227800000000, 0.0008892500000000, 0.0008284900000000 ] - [ 0.0014125200000000, 0.0000018200000000, -0.0000138100000000 ] - [ 0.0014009100000000, 0.0000188300000000, -0.0000144600000000 ] - [ 0.0013248300000000, -0.0005015500000000, -0.0001086700000000 ] - [ 0.0013470600000000, -0.0004168900000000, -0.0000731900000000 ] - [ 0.0044111600000000, -0.0014228100000000, 0.0022983200000000 ] - [ 0.0031171500000000, -0.0010954600000000, 0.0029513400000000 ] - [ 0.0016591200000000, -0.0007510900000000, 0.0008858800000000 ] - [ 0.0016589900000000, -0.0007526000000000, 0.0008867700000000 ] - [ 0.0013962400000000, -0.0000456100000000, -0.0000727400000000 ] - [ 0.0015044100000000, -0.0000859100000000, -0.0000465100000000 ] - [ 0.0013505400000000, 0.0004633300000000, -0.0000856500000000 ] - [ 0.0013516100000000, 0.0004768900000000, -0.0000452800000000 ] - [ 0.0031500000000000, 0.0012344900000000, 0.0030007200000000 ] - [ 0.0031524300000000, 0.0012348200000000, 0.0030091000000000 ] - [ -0.0013682700000000, -0.0013104900000000, -0.0011409800000000 ] - [ -0.0013642600000000, -0.0013026100000000, -0.0011442200000000 ] - [ -0.0017546700000000, 0.0000772400000000, -0.0012820500000000 ] - [ -0.0018552600000000, 0.0024611500000000, -0.0006020800000000 ] - [ -0.0009422500000000, 0.0004964500000000, -0.0009898500000000 ] - [ -0.0009385400000000, 0.0004914200000000, -0.0010041300000000 ] - [ -0.0014086400000000, -0.0001633600000000, -0.0001276500000000 ] - [ -0.0014005100000000, -0.0003872500000000, -0.0004286800000000 ] - [ -0.0014739200000000, -0.0002893900000000, -0.0002364100000000 ] - [ -0.0008685900000000, -0.0004120300000000, -0.0010019200000000 ] - [ -0.0013893600000000, 0.0002771900000000, -0.0002405700000000 ] - [ -0.0013898500000000, 0.0003053600000000, -0.0002641900000000 ] - [ -0.0022817000000000, -0.0011873900000000, -0.0004621400000000 ] - [ -0.0022927800000000, -0.0011795500000000, -0.0005212200000000 ] - [ -0.0038182900000000, 0.0001177700000000, 0.0014664000000000 ] - [ -0.0024505300000000, -0.0000802800000000, 0.0009763000000000 ] - [ -0.0023383900000000, 0.0011280100000000, -0.0005007200000000 ] - [ -0.0022750400000000, 0.0012259400000000, -0.0004939700000000 ] - [ -0.0019981900000000, 0.0007591100000000, 0.0010965200000000 ] - [ -0.0019931900000000, 0.0007678200000000, 0.0010992100000000 ] - [ -0.0090300600000000, 0.0002169100000000, -0.0002755200000000 ] - [ -0.0005399200000000, 0.0012182600000000, 0.0001717500000000 ] - [ -0.0004873500000000, -0.0009975500000000, 0.0002265900000000 ] - [ -0.0004876200000000, -0.0009967700000000, 0.0002253900000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006567300000000, -0.0004635500000000, 0.0007389000000000 ] - [ 0.0006584700000000, -0.0005223900000000, 0.0007412900000000 ] - [ 0.0004307500000000, -0.0008427800000000, -0.0003157600000000 ] - [ 0.0003797700000000, 0.0000750100000000, 0.0001254800000000 ] - [ 0.0004788800000000, -0.0002297300000000, 0.0016210100000000 ] - [ 0.0015827700000000, 0.0057460000000000, 0.0057602700000000 ] - [ 0.0003510000000000, 0.0005380900000000, -0.0001643600000000 ] - [ 0.0003459600000000, 0.0004273300000000, -0.0001082800000000 ] - [ -0.0026767100000000, 0.0023697600000000, -0.0016265900000000 ] - [ -0.0007218100000000, -0.0018776300000000, -0.0001087400000000 ] - [ -0.0002391400000000, -0.0006690500000000, 0.0009446900000000 ] - [ -0.0002451000000000, -0.0008358800000000, 0.0008660900000000 ] - [ -0.0006484500000000, 0.0008958500000000, -0.0003020300000000 ] - [ -0.0006508900000000, 0.0009278300000000, -0.0003196000000000 ] - [ -0.0002031500000000, 0.0006534800000000, 0.0011003800000000 ] - [ -0.0002748100000000, 0.0009273300000000, 0.0006836700000000 ] - [ 0.0034309800000000, 0.0023204100000000, -0.0012475300000000 ] - [ 0.0034987200000000, 0.0020572100000000, -0.0005406900000000 ] - [ 0.0023368000000000, 0.0001226100000000, 0.0005508400000000 ] - [ 0.0023340300000000, 0.0001141800000000, 0.0005901100000000 ] - [ 0.0035401500000000, -0.0021662400000000, -0.0008381000000000 ] - [ 0.0035478200000000, -0.0022363200000000, -0.0009203300000000 ] - [ 0.0026215400000000, 0.0006832500000000, 0.0015094400000000 ] - [ 0.0025861600000000, -0.0007883400000000, 0.0004956100000000 ] - [ -0.0012943500000000, -0.0001581600000000, 0.0001242800000000 ] - [ -0.0012935400000000, -0.0002166100000000, 0.0003410100000000 ] - [ -0.0033527200000000, 0.0018685900000000, 0.0033658700000000 ] - [ 0.0004879800000000, -0.0034904600000000, -0.0010423800000000 ] - [ -0.0012984500000000, 0.0004080100000000, 0.0004215100000000 ] - [ -0.0014199900000000, -0.0001716700000000, 0.0000638800000000 ] - [ 0.0004218500000000, 0.0024130200000000, -0.0015647400000000 ] - [ 0.0004226200000000, 0.0023826200000000, -0.0015799000000000 ] - [ -0.0052719300000000, 0.0013932800000000, -0.0037800000000000 ] - [ -0.0052598900000000, 0.0014213800000000, -0.0038084600000000 ] - [ -0.0009145100000000, 0.0005769300000000, -0.0004069200000000 ] - [ -0.0009402600000000, 0.0006893900000000, -0.0004178000000000 ] - [ 0.0004497700000000, 0.0005200300000000, 0.0027108900000000 ] - [ 0.0010577400000000, 0.0016211600000000, 0.0022346800000000 ] - [ -0.0052769400000000, -0.0015078500000000, -0.0040259200000000 ] - [ -0.0048731400000000, -0.0011774400000000, -0.0034715200000000 ] - [ -0.0009221600000000, -0.0006357200000000, -0.0004840300000000 ] - [ -0.0009426100000000, -0.0006286000000000, -0.0003530400000000 ] - [ -0.0006335300000000, 0.0015365900000000, -0.0020223200000000 ] - [ -0.0006377200000000, 0.0015431600000000, -0.0020243200000000 ] - [ 0.0010085300000000, -0.0013071800000000, 0.0024128700000000 ] - [ 0.0010078200000000, -0.0013038100000000, 0.0024375200000000 ] - [ 0.0037061600000000, 0.0003435000000000, 0.0031684600000000 ] - [ 0.0037047700000000, 0.0003208900000000, 0.0031243700000000 ] - [ -0.0024904000000000, 0.0011839500000000, -0.0035705800000000 ] - [ -0.0005482100000000, -0.0010344700000000, -0.0025358200000000 ] - [ 0.0013086200000000, -0.0005175900000000, 0.0017174200000000 ] - [ 0.0012466200000000, -0.0004881100000000, 0.0014893100000000 ] - [ 0.0038210900000000, -0.0006612100000000, 0.0030294900000000 ] - [ 0.0036030000000000, -0.0000559000000000, 0.0029725600000000 ] - [ 0.0012842000000000, 0.0004581300000000, 0.0016203200000000 ] - [ 0.0012627900000000, 0.0005314000000000, 0.0016613100000000 ] - [ -0.0007447000000000, 0.0001098500000000, -0.0023531100000000 ] - [ -0.0007728800000000, 0.0000531300000000, -0.0023882500000000 ] - [ -0.0021841900000000, 0.0000393300000000, -0.0003967800000000 ] - [ -0.0023314400000000, -0.0002807200000000, -0.0013325500000000 ] - [ -0.0006747800000000, -0.0002185400000000, -0.0023884300000000 ] - [ -0.0008120500000000, 0.0000323400000000, -0.0023675800000000 ] - [ -0.0025944900000000, 0.0006973900000000, -0.0007589600000000 ] - [ -0.0026060300000000, 0.0007243500000000, -0.0007722300000000 ] - [ 0.0104830300000000, -0.0172828700000000, -0.0088065200000000 ] - [ 0.0015171400000000, 0.0010442500000000, 0.0008451300000000 ] - [ 0.0014271900000000, -0.0000085800000000, 0.0000702800000000 ] - [ 0.0014066500000000, 0.0000185300000000, 0.0000103500000000 ] - [ 0.0012880200000000, -0.0005166800000000, 0.0000768100000000 ] - [ 0.0013511200000000, -0.0003953400000000, -0.0000622000000000 ] - [ 0.0036088800000000, -0.0024888300000000, 0.0048464000000000 ] - [ 0.0030302900000000, -0.0009374800000000, 0.0029156600000000 ] - [ 0.0016550700000000, -0.0007610900000000, 0.0009205400000000 ] - [ 0.0016535600000000, -0.0007684500000000, 0.0009292200000000 ] - [ 0.0013449700000000, -0.0000831500000000, -0.0001376800000000 ] - [ 0.0011766700000000, 0.0004024200000000, 0.0004251100000000 ] - [ 0.0013428200000000, 0.0004625900000000, -0.0000990400000000 ] - [ 0.0013346500000000, 0.0004520400000000, 0.0000358400000000 ] - [ 0.0031590100000000, 0.0012386300000000, 0.0030276400000000 ] - [ 0.0031672400000000, 0.0012368300000000, 0.0030562200000000 ] - [ -0.0013647900000000, -0.0013267000000000, -0.0010918900000000 ] - [ -0.0013610000000000, -0.0013100800000000, -0.0011038600000000 ] - [ -0.0006501500000000, 0.0033741900000000, -0.0017771900000000 ] - [ -0.0023882700000000, 0.0028193900000000, -0.0007517200000000 ] - [ -0.0009492600000000, 0.0004953300000000, -0.0009555500000000 ] - [ -0.0009428800000000, 0.0004739400000000, -0.0009664700000000 ] - [ -0.0014065100000000, -0.0001121300000000, -0.0000980500000000 ] - [ -0.0013777700000000, -0.0004874600000000, -0.0004137400000000 ] - [ -0.0014602700000000, -0.0008207500000000, -0.0007095100000000 ] - [ -0.0007758200000000, -0.0002211400000000, -0.0011335600000000 ] - [ -0.0013933900000000, 0.0002576000000000, -0.0002040500000000 ] - [ -0.0013863100000000, 0.0003259300000000, -0.0002349900000000 ] - [ -0.0022892800000000, -0.0011761600000000, -0.0004289700000000 ] - [ -0.0022792000000000, -0.0011885000000000, -0.0005132900000000 ] - [ -0.0035391600000000, 0.0002534600000000, 0.0014492500000000 ] - [ -0.0021754200000000, -0.0002663100000000, 0.0008779400000000 ] - [ -0.0023463200000000, 0.0010917500000000, -0.0004964700000000 ] - [ -0.0022580500000000, 0.0013089900000000, -0.0004525200000000 ] - [ -0.0020110100000000, 0.0007575300000000, 0.0011247000000000 ] - [ -0.0020047800000000, 0.0007756700000000, 0.0011344000000000 ] - [ -0.0010934600000000, -0.0003513300000000, -0.0001836300000000 ] - [ -0.0003521400000000, 0.0014597400000000, 0.0000591300000000 ] - [ -0.0004825700000000, -0.0009927800000000, 0.0002648800000000 ] - [ -0.0004816300000000, -0.0009938500000000, 0.0002655200000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006602300000000, -0.0005178600000000, 0.0010141600000000 ] - [ 0.0006584900000000, -0.0004586400000000, 0.0010116500000000 ] - [ 0.0002618600000000, -0.0001270600000000, 0.0002892300000000 ] - [ 0.0003122200000000, -0.0010480700000000, -0.0001500100000000 ] - [ 0.0008357400000000, 0.0012140400000000, 0.0001326800000000 ] - [ -0.0002983300000000, -0.0048853200000000, -0.0041862100000000 ] - [ 0.0003415300000000, 0.0004327200000000, 0.0001392300000000 ] - [ 0.0003466000000000, 0.0005441800000000, 0.0000832700000000 ] - [ 0.0014595900000000, -0.0042309400000000, 0.0013038500000000 ] - [ -0.0005732900000000, 0.0000691400000000, -0.0002790400000000 ] - [ -0.0002286500000000, -0.0008633600000000, 0.0010882800000000 ] - [ -0.0002227800000000, -0.0006954700000000, 0.0011666700000000 ] - [ -0.0006466500000000, 0.0009155800000000, -0.0000855900000000 ] - [ -0.0006442500000000, 0.0008833900000000, -0.0000679700000000 ] - [ -0.0002646800000000, 0.0008803000000000, 0.0009325900000000 ] - [ -0.0001927200000000, 0.0006038100000000, 0.0013494700000000 ] - [ 0.0036643600000000, 0.0020844100000000, -0.0002565800000000 ] - [ 0.0035942500000000, 0.0023469900000000, -0.0009656000000000 ] - [ 0.0023417000000000, 0.0001033900000000, 0.0008594800000000 ] - [ 0.0023444000000000, 0.0001116200000000, 0.0008199000000000 ] - [ 0.0035528300000000, -0.0022368900000000, -0.0006676200000000 ] - [ 0.0035452400000000, -0.0021668100000000, -0.0005845700000000 ] - [ 0.0020620200000000, -0.0009038700000000, -0.0001042500000000 ] - [ 0.0020915600000000, 0.0005640700000000, 0.0009157000000000 ] - [ -0.0013427300000000, -0.0001933800000000, 0.0006573900000000 ] - [ -0.0013431800000000, -0.0001354600000000, 0.0004398000000000 ] - [ 0.0040765000000000, -0.0066301400000000, -0.0060538900000000 ] - [ 0.0003596600000000, -0.0013000600000000, -0.0017518700000000 ] - [ -0.0013377800000000, -0.0000539800000000, 0.0003572600000000 ] - [ -0.0012167000000000, 0.0005254400000000, 0.0007188300000000 ] - [ 0.0004259900000000, 0.0023795700000000, -0.0012278500000000 ] - [ 0.0004251800000000, 0.0024098800000000, -0.0012126400000000 ] - [ -0.0052662500000000, 0.0014336800000000, -0.0039271200000000 ] - [ -0.0052782600000000, 0.0014055300000000, -0.0038984500000000 ] - [ -0.0009293500000000, 0.0006735100000000, -0.0005127600000000 ] - [ -0.0009035900000000, 0.0005609200000000, -0.0005016200000000 ] - [ 0.0015684600000000, 0.0021167000000000, 0.0020193500000000 ] - [ 0.0009599000000000, 0.0010166200000000, 0.0024949000000000 ] - [ -0.0052613700000000, -0.0013189700000000, -0.0036811300000000 ] - [ -0.0056676700000000, -0.0016492700000000, -0.0042373500000000 ] - [ -0.0009217400000000, -0.0006142500000000, -0.0004351900000000 ] - [ -0.0009013600000000, -0.0006207600000000, -0.0005666000000000 ] - [ -0.0006527600000000, 0.0014764500000000, -0.0021874000000000 ] - [ -0.0006486100000000, 0.0014698700000000, -0.0021853900000000 ] - [ 0.0010094800000000, -0.0013296100000000, 0.0023164200000000 ] - [ 0.0010102300000000, -0.0013329100000000, 0.0022916400000000 ] - [ 0.0037247700000000, 0.0002686500000000, 0.0029796200000000 ] - [ 0.0037262100000000, 0.0002913500000000, 0.0030238100000000 ] - [ 0.0011687500000000, -0.0041559500000000, -0.0006493300000000 ] - [ -0.0007369700000000, -0.0019779800000000, -0.0016735600000000 ] - [ 0.0012257300000000, -0.0004439900000000, 0.0014443400000000 ] - [ 0.0012881500000000, -0.0004728000000000, 0.0016728900000000 ] - [ 0.0036100000000000, 0.0000483200000000, 0.0031225500000000 ] - [ 0.0038285000000000, -0.0005557600000000, 0.0031754800000000 ] - [ 0.0012504900000000, 0.0005039300000000, 0.0015418600000000 ] - [ 0.0012720100000000, 0.0004303700000000, 0.0015004300000000 ] - [ -0.0007707900000000, 0.0000759400000000, -0.0024640300000000 ] - [ -0.0007424000000000, 0.0001332000000000, -0.0024288700000000 ] - [ -0.0030214100000000, -0.0015051900000000, -0.0012414200000000 ] - [ -0.0028751800000000, -0.0011930700000000, -0.0003017900000000 ] - [ -0.0008410800000000, 0.0000341200000000, -0.0024285600000000 ] - [ -0.0007031900000000, -0.0002180100000000, -0.0024499900000000 ] - [ -0.0026113000000000, 0.0007718800000000, -0.0008813500000000 ] - [ -0.0025997300000000, 0.0007446100000000, -0.0008679400000000 ] - [ -0.0071014000000000, 0.0188100700000000, 0.0105764600000000 ] - [ 0.0018111200000000, 0.0004396600000000, 0.0008712900000000 ] - [ 0.0013727100000000, 0.0000360300000000, -0.0001361300000000 ] - [ 0.0013933500000000, 0.0000088600000000, -0.0000756700000000 ] - [ 0.0014074600000000, -0.0004095300000000, -0.0002583100000000 ] - [ 0.0013439800000000, -0.0005312500000000, -0.0001178200000000 ] - [ 0.0026734800000000, 0.0000129300000000, 0.0010869000000000 ] - [ 0.0032564500000000, -0.0015280000000000, 0.0030436000000000 ] - [ 0.0016729300000000, -0.0007224800000000, 0.0007960800000000 ] - [ 0.0016744000000000, -0.0007150400000000, 0.0007873800000000 ] - [ 0.0014550200000000, 0.0000558500000000, 0.0000729000000000 ] - [ 0.0016237200000000, -0.0004300500000000, -0.0004909900000000 ] - [ 0.0013521800000000, 0.0004644600000000, -0.0000806700000000 ] - [ 0.0013606500000000, 0.0004754000000000, -0.0002160900000000 ] - [ 0.0031273000000000, 0.0012274500000000, 0.0029314700000000 ] - [ 0.0031190700000000, 0.0012293700000000, 0.0029027500000000 ] - [ -0.0013714100000000, -0.0012706700000000, -0.0012553600000000 ] - [ -0.0013752000000000, -0.0012873900000000, -0.0012433900000000 ] - [ -0.0020638200000000, -0.0007307000000000, -0.0005786400000000 ] - [ -0.0003330200000000, -0.0002476000000000, -0.0016023900000000 ] - [ -0.0009223300000000, 0.0005067600000000, -0.0010888300000000 ] - [ -0.0009287100000000, 0.0005283000000000, -0.0010780300000000 ] - [ -0.0013763700000000, -0.0004761500000000, -0.0004695600000000 ] - [ -0.0014055700000000, -0.0000995700000000, -0.0001536800000000 ] - [ -0.0004106400000000, -0.0001781400000000, -0.0013346600000000 ] - [ -0.0010957600000000, -0.0007810400000000, -0.0009112000000000 ] - [ -0.0013897600000000, 0.0003309800000000, -0.0003637800000000 ] - [ -0.0013968600000000, 0.0002622100000000, -0.0003329300000000 ] - [ -0.0022953100000000, -0.0012003000000000, -0.0005984200000000 ] - [ -0.0023053500000000, -0.0011877000000000, -0.0005137500000000 ] - [ -0.0004309700000000, -0.0017740100000000, 0.0006990100000000 ] - [ -0.0017993800000000, -0.0012550900000000, 0.0012726700000000 ] - [ -0.0022376900000000, 0.0012855000000000, -0.0005300900000000 ] - [ -0.0023265900000000, 0.0010677800000000, -0.0005751700000000 ] - [ -0.0019626200000000, 0.0007659900000000, 0.0010259100000000 ] - [ -0.0019688300000000, 0.0007478000000000, 0.0010160800000000 ] - [ 0.0001265900000000, 0.0023516400000000, 0.0005772200000000 ] - [ -0.0006303600000000, 0.0005389700000000, 0.0003367700000000 ] - [ -0.0004996600000000, -0.0010053800000000, 0.0001302600000000 ] - [ -0.0005007100000000, -0.0010042900000000, 0.0001296500000000 ]- atom: 65 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0006622300000000, -0.0004550900000000, 0.0004737200000000 ] - [ 0.0006534500000000, -0.0005396700000000, 0.0005029400000000 ] - [ 0.0004150100000000, -0.0008431200000000, -0.0001552100000000 ] - [ 0.0006287500000000, 0.0003846300000000, -0.0003828800000000 ] - [ 0.0005415800000000, 0.0004248600000000, 0.0014311900000000 ] - [ 0.0016831400000000, 0.0046522600000000, 0.0056808700000000 ] - [ 0.0003488400000000, 0.0004680600000000, -0.0004064500000000 ] - [ 0.0003599700000000, 0.0004732500000000, -0.0003212700000000 ] - [ 0.0025446400000000, -0.0026859200000000, 0.0053935300000000 ] - [ -0.0006722200000000, -0.0014606800000000, 0.0007548100000000 ] - [ -0.0002802800000000, -0.0006021300000000, 0.0006586300000000 ] - [ -0.0002453700000000, -0.0008582400000000, 0.0007463400000000 ] - [ -0.0006528600000000, 0.0009156100000000, -0.0005117700000000 ] - [ -0.0006554400000000, 0.0009283100000000, -0.0005420000000000 ] - [ -0.0002303400000000, 0.0007990300000000, 0.0009630400000000 ] - [ -0.0002718900000000, 0.0007321500000000, 0.0004391300000000 ] - [ 0.0028683700000000, 0.0019269100000000, -0.0014053700000000 ] - [ 0.0035224300000000, 0.0022796500000000, -0.0006491100000000 ] - [ 0.0023213700000000, 0.0001151900000000, 0.0002905400000000 ] - [ 0.0023318000000000, 0.0001420200000000, 0.0003519300000000 ] - [ 0.0035305100000000, -0.0021510900000000, -0.0011349100000000 ] - [ 0.0035455400000000, -0.0022452800000000, -0.0011054300000000 ] - [ 0.0028435500000000, 0.0007034800000000, 0.0012328500000000 ] - [ 0.0025308500000000, -0.0005987000000000, 0.0010046500000000 ] - [ -0.0011877000000000, -0.0002928200000000, -0.0002050600000000 ] - [ -0.0013030500000000, -0.0001089600000000, 0.0000768400000000 ] - [ -0.0072817000000000, 0.0032745400000000, 0.0101925500000000 ] - [ 0.0005418000000000, -0.0024466300000000, 0.0000478600000000 ] - [ -0.0011035200000000, 0.0006909700000000, -0.0002152500000000 ] - [ -0.0014165800000000, -0.0002198500000000, -0.0000212100000000 ] - [ 0.0004216100000000, 0.0024124400000000, -0.0019034400000000 ] - [ 0.0004204500000000, 0.0023885400000000, -0.0018919100000000 ] - [ -0.0052624100000000, 0.0013887100000000, -0.0036627100000000 ] - [ -0.0052538400000000, 0.0014036600000000, -0.0037198200000000 ] - [ -0.0009269600000000, 0.0006162400000000, -0.0002937700000000 ] - [ -0.0009335200000000, 0.0006576700000000, -0.0003873000000000 ] - [ 0.0008592800000000, 0.0009834400000000, 0.0024674100000000 ] - [ 0.0010531100000000, 0.0014403200000000, 0.0021645000000000 ] - [ -0.0052579000000000, -0.0015641100000000, -0.0039624800000000 ] - [ -0.0048493000000000, -0.0010815400000000, -0.0034447200000000 ] - [ -0.0009109400000000, -0.0006960800000000, -0.0003678200000000 ] - [ -0.0009667300000000, -0.0006119700000000, -0.0003001800000000 ] - [ -0.0006196600000000, 0.0016035000000000, -0.0018624100000000 ] - [ -0.0006231900000000, 0.0016002600000000, -0.0018809300000000 ] - [ 0.0010050400000000, -0.0012911200000000, 0.0025294000000000 ] - [ 0.0010082900000000, -0.0012753400000000, 0.0025442400000000 ] - [ 0.0036953100000000, 0.0004037400000000, 0.0033042900000000 ] - [ 0.0036818500000000, 0.0003533900000000, 0.0032501700000000 ] - [ -0.0002917500000000, -0.0014335200000000, -0.0032774600000000 ] - [ -0.0004927600000000, -0.0008159100000000, -0.0029346700000000 ] - [ 0.0013920900000000, -0.0003911400000000, 0.0017303900000000 ] - [ 0.0012079300000000, -0.0006279100000000, 0.0016190600000000 ] - [ 0.0041898400000000, -0.0010433600000000, 0.0041751000000000 ] - [ 0.0036862200000000, -0.0001166200000000, 0.0029143500000000 ] - [ 0.0012922200000000, 0.0004998000000000, 0.0017685700000000 ] - [ 0.0012785400000000, 0.0005487700000000, 0.0017393000000000 ] - [ -0.0007221800000000, 0.0001573900000000, -0.0023131300000000 ] - [ -0.0008049300000000, -0.0000321100000000, -0.0022953500000000 ] - [ -0.0022291200000000, -0.0000255500000000, -0.0006832600000000 ] - [ -0.0028201600000000, -0.0013619900000000, -0.0010554900000000 ] - [ -0.0007244000000000, -0.0001341900000000, -0.0022890000000000 ] - [ -0.0007788000000000, -0.0000084000000000, -0.0023505500000000 ] - [ -0.0025941300000000, 0.0006572800000000, -0.0006555300000000 ] - [ -0.0025996400000000, 0.0006770900000000, -0.0006763100000000 ] - [ 0.0058636300000000, -0.0092373200000000, -0.0297576200000000 ] - [ 0.0016903500000000, 0.0007358200000000, 0.0004748400000000 ] - [ 0.0014594800000000, -0.0000176000000000, 0.0002583500000000 ] - [ 0.0014344300000000, -0.0000009200000000, 0.0000981800000000 ] - [ 0.0011887200000000, -0.0005133400000000, 0.0004559300000000 ] - [ 0.0013351300000000, -0.0004219200000000, -0.0000309400000000 ] - [ 0.0047977100000000, -0.0007993700000000, 0.0125615000000000 ] - [ 0.0030908200000000, -0.0011681600000000, 0.0028163500000000 ] - [ 0.0016355100000000, -0.0008059800000000, 0.0010448800000000 ] - [ 0.0016346400000000, -0.0008148400000000, 0.0010518100000000 ] - [ 0.0013513800000000, -0.0001468600000000, -0.0001170500000000 ] - [ 0.0010640700000000, 0.0004823800000000, 0.0004650500000000 ] - [ 0.0012774100000000, 0.0004091500000000, 0.0000305400000000 ] - [ 0.0013348300000000, 0.0004794800000000, 0.0000891700000000 ] - [ 0.0031995100000000, 0.0012390300000000, 0.0031448400000000 ] - [ 0.0031984600000000, 0.0012499700000000, 0.0031605200000000 ] - [ -0.0013537200000000, -0.0013648700000000, -0.0009433200000000 ] - [ -0.0013536100000000, -0.0013450600000000, -0.0009711300000000 ] - [ -0.0015116600000000, 0.0004056600000000, -0.0019097200000000 ] - [ -0.0022079400000000, 0.0021098700000000, -0.0017263200000000 ] - [ -0.0009686900000000, 0.0004778800000000, -0.0008577600000000 ] - [ -0.0009618800000000, 0.0004275000000000, -0.0008420100000000 ] - [ -0.0014223800000000, -0.0000268800000000, -0.0001504000000000 ] - [ -0.0013516700000000, -0.0005684700000000, -0.0002186500000000 ] - [ -0.0017805100000000, -0.0003348400000000, -0.0001028900000000 ] - [ -0.0008697000000000, -0.0004309200000000, -0.0011406300000000 ] - [ -0.0013898700000000, 0.0002833400000000, -0.0000672100000000 ] - [ -0.0013814800000000, 0.0002956500000000, -0.0001321900000000 ] - [ -0.0022894000000000, -0.0011321300000000, -0.0003390600000000 ] - [ -0.0022553500000000, -0.0012271300000000, -0.0004332700000000 ] - [ -0.0038638200000000, 0.0004240000000000, 0.0014696400000000 ] - [ -0.0016644300000000, -0.0011195400000000, 0.0008120900000000 ] - [ -0.0022335000000000, 0.0010561600000000, -0.0002602700000000 ] - [ -0.0022633000000000, 0.0012995300000000, -0.0004231000000000 ] - [ -0.0020502900000000, 0.0007713900000000, 0.0012363800000000 ] - [ -0.0020407100000000, 0.0007815200000000, 0.0012248100000000 ] - [ -0.0010016000000000, 0.0006490600000000, -0.0016858900000000 ] - [ -0.0005156000000000, 0.0011829500000000, -0.0002541300000000 ] - [ -0.0004637100000000, -0.0009820900000000, 0.0003950200000000 ] - [ -0.0004636200000000, -0.0009862100000000, 0.0003896400000000 ]- atom: 65 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0006550100000000, -0.0005260600000000, 0.0012801100000000 ] - [ 0.0006636500000000, -0.0004418600000000, 0.0012509500000000 ] - [ 0.0002778200000000, -0.0001283400000000, 0.0001321400000000 ] - [ 0.0000658400000000, -0.0013525700000000, 0.0003628200000000 ] - [ 0.0007754100000000, 0.0005590700000000, 0.0003141100000000 ] - [ -0.0004060000000000, -0.0038458900000000, -0.0040882000000000 ] - [ 0.0003440100000000, 0.0005032100000000, 0.0003828500000000 ] - [ 0.0003327300000000, 0.0004977700000000, 0.0002969900000000 ] - [ -0.0037492400000000, 0.0007966600000000, -0.0057331700000000 ] - [ -0.0006222200000000, -0.0003485700000000, -0.0011413200000000 ] - [ -0.0001879800000000, -0.0009290000000000, 0.0013752500000000 ] - [ -0.0002222800000000, -0.0006742200000000, 0.0012872500000000 ] - [ -0.0006421100000000, 0.0008950100000000, 0.0001256400000000 ] - [ -0.0006395600000000, 0.0008824500000000, 0.0001560900000000 ] - [ -0.0002371300000000, 0.0007329200000000, 0.0010676300000000 ] - [ -0.0001948700000000, 0.0008002800000000, 0.0015960800000000 ] - [ 0.0042203900000000, 0.0024779600000000, -0.0000960500000000 ] - [ 0.0035714500000000, 0.0021243900000000, -0.0008541500000000 ] - [ 0.0023567000000000, 0.0001104200000000, 0.0011203900000000 ] - [ 0.0023463900000000, 0.0000836300000000, 0.0010591800000000 ] - [ 0.0035631800000000, -0.0022540800000000, -0.0003685000000000 ] - [ 0.0035480100000000, -0.0021589600000000, -0.0003983100000000 ] - [ 0.0018299200000000, -0.0009340500000000, 0.0001664300000000 ] - [ 0.0021469500000000, 0.0003750300000000, 0.0003985900000000 ] - [ -0.0014478500000000, -0.0000594900000000, 0.0009876300000000 ] - [ -0.0013336100000000, -0.0002427700000000, 0.0007064600000000 ] - [ 0.0078209100000000, -0.0078433100000000, -0.0128204600000000 ] - [ 0.0003040500000000, -0.0023493200000000, -0.0028456700000000 ] - [ -0.0015366100000000, -0.0003443800000000, 0.0009986200000000 ] - [ -0.0012196900000000, 0.0005752900000000, 0.0008031300000000 ] - [ 0.0004259000000000, 0.0023793300000000, -0.0008878700000000 ] - [ 0.0004271700000000, 0.0024034800000000, -0.0008993900000000 ] - [ -0.0052742300000000, 0.0014393400000000, -0.0040479300000000 ] - [ -0.0052827100000000, 0.0014245500000000, -0.0039908800000000 ] - [ -0.0009159300000000, 0.0006343100000000, -0.0006252200000000 ] - [ -0.0009093700000000, 0.0005934600000000, -0.0005314200000000 ] - [ 0.0011615900000000, 0.0016540000000000, 0.0022568700000000 ] - [ 0.0009659300000000, 0.0011985100000000, 0.0025630400000000 ] - [ -0.0052788700000000, -0.0012627600000000, -0.0037456800000000 ] - [ -0.0056911800000000, -0.0017488300000000, -0.0042681500000000 ] - [ -0.0009324300000000, -0.0005543900000000, -0.0005500700000000 ] - [ -0.0008760100000000, -0.0006393200000000, -0.0006182600000000 ] - [ -0.0006659300000000, 0.0014106200000000, -0.0023462000000000 ] - [ -0.0006624100000000, 0.0014138500000000, -0.0023276900000000 ] - [ 0.0010142100000000, -0.0013471200000000, 0.0021980200000000 ] - [ 0.0010109800000000, -0.0013631100000000, 0.0021829500000000 ] - [ 0.0037364900000000, 0.0002062400000000, 0.0028399400000000 ] - [ 0.0037499700000000, 0.0002563400000000, 0.0028936900000000 ] - [ -0.0009868900000000, -0.0015900400000000, -0.0009216500000000 ] - [ -0.0007926900000000, -0.0022003600000000, -0.0012674900000000 ] - [ 0.0011436900000000, -0.0005713600000000, 0.0014313600000000 ] - [ 0.0013265900000000, -0.0003345800000000, 0.0015432800000000 ] - [ 0.0032311900000000, 0.0004412600000000, 0.0019473400000000 ] - [ 0.0037452600000000, -0.0004951300000000, 0.0032331400000000 ] - [ 0.0012424200000000, 0.0004629700000000, 0.0013943800000000 ] - [ 0.0012562100000000, 0.0004135400000000, 0.0014239100000000 ] - [ -0.0007948400000000, 0.0000271000000000, -0.0025042700000000 ] - [ -0.0007122200000000, 0.0002160100000000, -0.0025221100000000 ] - [ -0.0029789400000000, -0.0014474400000000, -0.0009578200000000 ] - [ -0.0023834000000000, -0.0001039200000000, -0.0005848800000000 ] - [ -0.0007930600000000, -0.0000491200000000, -0.0025280100000000 ] - [ -0.0007380900000000, -0.0001761400000000, -0.0024663500000000 ] - [ -0.0026132200000000, 0.0008134700000000, -0.0009862600000000 ] - [ -0.0026076900000000, 0.0007933000000000, -0.0009652300000000 ] - [ -0.0023260600000000, 0.0107456500000000, 0.0312238500000000 ] - [ 0.0016349300000000, 0.0007500800000000, 0.0012446900000000 ] - [ 0.0013382800000000, 0.0000462600000000, -0.0003265000000000 ] - [ 0.0013631500000000, 0.0000296900000000, -0.0001674300000000 ] - [ 0.0015040900000000, -0.0004130000000000, -0.0006309100000000 ] - [ 0.0013588000000000, -0.0005036700000000, -0.0001480700000000 ] - [ 0.0015165500000000, -0.0016450000000000, -0.0063809700000000 ] - [ 0.0031934500000000, -0.0012953600000000, 0.0031407900000000 ] - [ 0.0016904700000000, -0.0006792600000000, 0.0006728400000000 ] - [ 0.0016912500000000, -0.0006705000000000, 0.0006659000000000 ] - [ 0.0014471200000000, 0.0001191900000000, 0.0000508400000000 ] - [ 0.0017374100000000, -0.0005142100000000, -0.0005364800000000 ] - [ 0.0014170700000000, 0.0005170300000000, -0.0002090400000000 ] - [ 0.0013588400000000, 0.0004459100000000, -0.0002680900000000 ] - [ 0.0030848200000000, 0.0012257600000000, 0.0028121500000000 ] - [ 0.0030859000000000, 0.0012147200000000, 0.0027963300000000 ] - [ -0.0013837500000000, -0.0012312700000000, -0.0014034300000000 ] - [ -0.0013838800000000, -0.0012510200000000, -0.0013757200000000 ] - [ -0.0012271800000000, 0.0021854900000000, -0.0004286200000000 ] - [ -0.0005285200000000, 0.0004873500000000, -0.0006100700000000 ] - [ -0.0009036600000000, 0.0005224900000000, -0.0011897400000000 ] - [ -0.0009104200000000, 0.0005726600000000, -0.0012055100000000 ] - [ -0.0013604500000000, -0.0005607100000000, -0.0004176800000000 ] - [ -0.0014312900000000, -0.0000187800000000, -0.0003526900000000 ] - [ -0.0000781700000000, -0.0006728800000000, -0.0019630300000000 ] - [ -0.0010032500000000, -0.0005695700000000, -0.0009037500000000 ] - [ -0.0013928200000000, 0.0003050300000000, -0.0005014200000000 ] - [ -0.0014012200000000, 0.0002926600000000, -0.0004358500000000 ] - [ -0.0022933500000000, -0.0012460700000000, -0.0006884200000000 ] - [ -0.0023273700000000, -0.0011511400000000, -0.0005945000000000 ] - [ -0.0001138700000000, -0.0019455900000000, 0.0006854400000000 ] - [ -0.0023082700000000, -0.0004025900000000, 0.0013380800000000 ] - [ -0.0023499200000000, 0.0013234900000000, -0.0007686500000000 ] - [ -0.0023194800000000, 0.0010777500000000, -0.0006039900000000 ] - [ -0.0019210100000000, 0.0007532400000000, 0.0009129100000000 ] - [ -0.0019306800000000, 0.0007430400000000, 0.0009245300000000 ] - [ 0.0000396800000000, 0.0013486500000000, 0.0020923000000000 ] - [ -0.0004641000000000, 0.0008169600000000, 0.0006531700000000 ] - [ -0.0005168800000000, -0.0010179200000000, 0.0000019100000000 ] - [ -0.0005170000000000, -0.0010138900000000, 0.0000072600000000 ]- atom: 67 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0039261200000000, 0.0024182900000000, -0.0010622200000000 ] - [ 0.0010408700000000, -0.0001985800000000, 0.0012285500000000 ] - [ 0.0003551600000000, -0.0002720100000000, -0.0001191900000000 ] - [ 0.0003699900000000, -0.0006116600000000, -0.0001135000000000 ] - [ 0.0006570300000000, 0.0005047000000000, 0.0007755100000000 ] - [ 0.0006555700000000, 0.0004840500000000, 0.0007788000000000 ] - [ 0.0003481200000000, 0.0005216000000000, -0.0001218600000000 ] - [ 0.0003367200000000, 0.0004585200000000, -0.0000898500000000 ] - [ -0.0006525800000000, -0.0009589600000000, -0.0002502300000000 ] - [ -0.0006453500000000, -0.0008603700000000, -0.0002708000000000 ] - [ 0.0012006900000000, -0.0020959300000000, 0.0001997600000000 ] - [ -0.0001210800000000, -0.0005884700000000, 0.0012934000000000 ] - [ -0.0005803800000000, 0.0008231700000000, -0.0002531800000000 ] - [ -0.0006779400000000, 0.0012144600000000, -0.0004278100000000 ] - [ -0.0002319500000000, 0.0007610600000000, 0.0009346600000000 ] - [ -0.0002332400000000, 0.0007695200000000, 0.0009285300000000 ] - [ 0.0035453600000000, 0.0022339300000000, -0.0008147500000000 ] - [ 0.0035708000000000, 0.0022388300000000, -0.0006792400000000 ] - [ 0.0040997900000000, 0.0007420200000000, 0.0031639100000000 ] - [ 0.0021367200000000, 0.0003410100000000, 0.0007905600000000 ] - [ 0.0035600400000000, -0.0022145500000000, -0.0008696700000000 ] - [ 0.0035482500000000, -0.0021928400000000, -0.0008194100000000 ] - [ 0.0023379800000000, -0.0001196600000000, 0.0005969100000000 ] - [ 0.0023399200000000, -0.0001155800000000, 0.0006163600000000 ] - [ 0.0006914600000000, 0.0002100800000000, 0.0019830600000000 ] - [ -0.0014998100000000, -0.0001524000000000, 0.0005415900000000 ] - [ 0.0004315900000000, -0.0024165400000000, -0.0015748800000000 ] - [ 0.0004173200000000, -0.0023848100000000, -0.0014844900000000 ] - [ -0.0013205900000000, 0.0001721200000000, 0.0002549000000000 ] - [ -0.0013182700000000, 0.0001781200000000, 0.0002781500000000 ] - [ 0.0003350200000000, 0.0023751000000000, -0.0015102400000000 ] - [ 0.0003187300000000, 0.0024000600000000, -0.0013549600000000 ] - [ 0.0017726200000000, 0.0024856200000000, -0.0043861400000000 ] - [ -0.0051906300000000, 0.0012816200000000, -0.0039126800000000 ] - [ -0.0005123400000000, 0.0010768700000000, -0.0003693600000000 ] - [ -0.0008822300000000, 0.0005330900000000, -0.0005179400000000 ] - [ 0.0010066900000000, 0.0013374000000000, 0.0024200100000000 ] - [ 0.0010120000000000, 0.0012911200000000, 0.0023917600000000 ] - [ -0.0052669500000000, -0.0014078100000000, -0.0038052200000000 ] - [ -0.0052655000000000, -0.0014088200000000, -0.0038111100000000 ] - [ -0.0009246100000000, -0.0006270400000000, -0.0004176900000000 ] - [ -0.0009270200000000, -0.0006360100000000, -0.0004222700000000 ] - [ -0.0003374700000000, 0.0011711900000000, -0.0019606100000000 ] - [ -0.0005988400000000, 0.0014685000000000, -0.0021304800000000 ] - [ 0.0010092300000000, -0.0012959200000000, 0.0024507300000000 ] - [ 0.0010380500000000, -0.0013402300000000, 0.0023971100000000 ] - [ 0.0078842400000000, -0.0035200100000000, 0.0009315100000000 ] - [ 0.0037999700000000, 0.0004203400000000, 0.0030633800000000 ] - [ -0.0006390900000000, -0.0015347700000000, -0.0020345800000000 ] - [ -0.0006373100000000, -0.0015256800000000, -0.0020591400000000 ] - [ 0.0013186800000000, -0.0006565200000000, 0.0021378200000000 ] - [ 0.0012999500000000, -0.0004621100000000, 0.0015502600000000 ] - [ 0.0037067400000000, -0.0003252600000000, 0.0031314800000000 ] - [ 0.0037093600000000, -0.0003250600000000, 0.0031242400000000 ] - [ 0.0012734700000000, 0.0004938000000000, 0.0016407600000000 ] - [ 0.0012692700000000, 0.0004894300000000, 0.0016166600000000 ] - [ -0.0011341900000000, -0.0006683400000000, -0.0023800800000000 ] - [ -0.0008320900000000, 0.0003146600000000, -0.0023580300000000 ] - [ -0.0026271900000000, -0.0007410700000000, -0.0007617800000000 ] - [ -0.0025966800000000, -0.0007127900000000, -0.0007971400000000 ] - [ -0.0007564300000000, -0.0000872800000000, -0.0023766800000000 ] - [ -0.0007581800000000, -0.0000849100000000, -0.0023815600000000 ] - [ -0.0026203500000000, 0.0007066700000000, -0.0007070500000000 ] - [ -0.0026131400000000, 0.0007449800000000, -0.0008123000000000 ] - [ 0.0016511800000000, 0.0007691900000000, 0.0009191800000000 ] - [ 0.0016627300000000, 0.0007486900000000, 0.0008944800000000 ] - [ -0.0198895700000000, 0.0016432800000000, -0.0004492100000000 ] - [ 0.0012968300000000, -0.0000176800000000, -0.0001551400000000 ] - [ -0.0002682100000000, -0.0006278800000000, 0.0001278600000000 ] - [ 0.0013296400000000, -0.0005327400000000, -0.0001039900000000 ] - [ 0.0031732900000000, -0.0012023100000000, 0.0030497100000000 ] - [ 0.0031431500000000, -0.0012543700000000, 0.0030013300000000 ] - [ 0.0016669400000000, -0.0006872700000000, 0.0008111600000000 ] - [ 0.0015571800000000, -0.0005176100000000, 0.0005175800000000 ] - [ 0.0014136800000000, -0.0000069100000000, 0.0000138800000000 ] - [ 0.0014110900000000, -0.0000074700000000, 0.0000086800000000 ] - [ 0.0013352100000000, 0.0004642200000000, -0.0000511600000000 ] - [ 0.0013398900000000, 0.0004541000000000, -0.0000574500000000 ] - [ 0.0031581600000000, 0.0012501700000000, 0.0030049800000000 ] - [ 0.0031226400000000, 0.0011943500000000, 0.0029718800000000 ] - [ -0.0015391100000000, -0.0019132200000000, -0.0000649500000000 ] - [ -0.0014289300000000, -0.0013026200000000, -0.0012114500000000 ] - [ -0.0013634200000000, 0.0013086500000000, -0.0011126500000000 ] - [ -0.0013653600000000, 0.0013161700000000, -0.0011249600000000 ] - [ -0.0008906300000000, 0.0010674200000000, -0.0012557600000000 ] - [ -0.0003779100000000, -0.0014203400000000, -0.0004346800000000 ] - [ -0.0014090500000000, -0.0003664600000000, -0.0002672900000000 ] - [ -0.0014012900000000, -0.0001788700000000, -0.0003917100000000 ] - [ -0.0009421400000000, -0.0004861100000000, -0.0009749600000000 ] - [ -0.0009450100000000, -0.0004916000000000, -0.0009792600000000 ] - [ -0.0013899700000000, 0.0002815300000000, -0.0002263400000000 ] - [ -0.0013905400000000, 0.0003027700000000, -0.0002475900000000 ] - [ -0.0002609000000000, -0.0009280500000000, -0.0014354800000000 ] - [ -0.0020366000000000, -0.0016177800000000, -0.0005375600000000 ] - [ -0.0019880500000000, -0.0007803400000000, 0.0011645500000000 ] - [ -0.0019918600000000, -0.0007599900000000, 0.0010881600000000 ] - [ -0.0022892100000000, 0.0011857400000000, -0.0004747400000000 ] - [ -0.0022882800000000, 0.0011858300000000, -0.0004824400000000 ] - [ -0.0019562800000000, 0.0007973800000000, 0.0011257500000000 ] - [ -0.0019827100000000, 0.0007705100000000, 0.0010818100000000 ] - [ -0.0004795700000000, 0.0010011000000000, 0.0002535700000000 ] - [ -0.0004898200000000, 0.0009898700000000, 0.0002379400000000 ] - [ -0.0003947000000000, -0.0007086900000000, 0.0005647700000000 ] - [ -0.0004246200000000, -0.0010426100000000, 0.0001992900000000 ]- atom: 67 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ -0.0026248600000000, -0.0034579300000000, 0.0028633000000000 ] - [ 0.0002749500000000, -0.0007832500000000, 0.0005233300000000 ] - [ 0.0003372400000000, -0.0007011100000000, 0.0000934000000000 ] - [ 0.0003205400000000, -0.0003622300000000, 0.0000874200000000 ] - [ 0.0006601400000000, 0.0004771300000000, 0.0009776600000000 ] - [ 0.0006615100000000, 0.0004976400000000, 0.0009742900000000 ] - [ 0.0003451700000000, 0.0004502200000000, 0.0000968000000000 ] - [ 0.0003561100000000, 0.0005130200000000, 0.0000643000000000 ] - [ -0.0006423100000000, -0.0008524500000000, -0.0001374400000000 ] - [ -0.0006500200000000, -0.0009506600000000, -0.0001166500000000 ] - [ -0.0016197000000000, 0.0005021300000000, 0.0017887400000000 ] - [ -0.0003456200000000, -0.0009456200000000, 0.0007390400000000 ] - [ -0.0007134500000000, 0.0009872300000000, -0.0001354000000000 ] - [ -0.0006176800000000, 0.0005955000000000, 0.0000419300000000 ] - [ -0.0002361400000000, 0.0007720000000000, 0.0010977800000000 ] - [ -0.0002349000000000, 0.0007636000000000, 0.0011039900000000 ] - [ 0.0035529900000000, 0.0021732500000000, -0.0006897800000000 ] - [ 0.0035221700000000, 0.0021659300000000, -0.0008260500000000 ] - [ 0.0007202300000000, -0.0004615000000000, -0.0016501400000000 ] - [ 0.0025405900000000, -0.0001162200000000, 0.0006190700000000 ] - [ 0.0035330700000000, -0.0021899500000000, -0.0006359800000000 ] - [ 0.0035449300000000, -0.0022122400000000, -0.0006860900000000 ] - [ 0.0023401700000000, -0.0001059900000000, 0.0008135500000000 ] - [ 0.0023383000000000, -0.0001102100000000, 0.0007941100000000 ] - [ -0.0035570400000000, -0.0004662500000000, -0.0013780600000000 ] - [ -0.0011394200000000, -0.0002008800000000, 0.0002383700000000 ] - [ 0.0004143700000000, -0.0023738400000000, -0.0012183300000000 ] - [ 0.0004296200000000, -0.0024067400000000, -0.0013089600000000 ] - [ -0.0013168200000000, 0.0001792200000000, 0.0005256600000000 ] - [ -0.0013191600000000, 0.0001729600000000, 0.0005024800000000 ] - [ 0.0005101000000000, 0.0024185800000000, -0.0012851800000000 ] - [ 0.0005277200000000, 0.0023898300000000, -0.0014381900000000 ] - [ -0.0124296500000000, 0.0003095400000000, -0.0033230300000000 ] - [ -0.0053475100000000, 0.0015458900000000, -0.0037941900000000 ] - [ -0.0013314200000000, 0.0001703200000000, -0.0005507000000000 ] - [ -0.0009616000000000, 0.0007165000000000, -0.0004015100000000 ] - [ 0.0010109300000000, 0.0012991300000000, 0.0023089300000000 ] - [ 0.0010055800000000, 0.0013456500000000, 0.0023372600000000 ] - [ -0.0052712900000000, -0.0014184900000000, -0.0039020200000000 ] - [ -0.0052727700000000, -0.0014174700000000, -0.0038961900000000 ] - [ -0.0009197500000000, -0.0006223700000000, -0.0005014900000000 ] - [ -0.0009175000000000, -0.0006131700000000, -0.0004969300000000 ] - [ -0.0009442400000000, 0.0018370700000000, -0.0022506300000000 ] - [ -0.0006876000000000, 0.0015444800000000, -0.0020796800000000 ] - [ 0.0010085600000000, -0.0013407500000000, 0.0022795600000000 ] - [ 0.0009795000000000, -0.0012961400000000, 0.0023319600000000 ] - [ -0.0005034600000000, 0.0041974100000000, 0.0052350300000000 ] - [ 0.0036316800000000, 0.0001939000000000, 0.0030869100000000 ] - [ -0.0006473200000000, -0.0014773700000000, -0.0021761600000000 ] - [ -0.0006490300000000, -0.0014864100000000, -0.0021515600000000 ] - [ 0.0012172100000000, -0.0003033300000000, 0.0010148400000000 ] - [ 0.0012352300000000, -0.0004989900000000, 0.0016118100000000 ] - [ 0.0037240900000000, -0.0002862800000000, 0.0030166600000000 ] - [ 0.0037214400000000, -0.0002864000000000, 0.0030238900000000 ] - [ 0.0012611600000000, 0.0004678200000000, 0.0015210000000000 ] - [ 0.0012653100000000, 0.0004724200000000, 0.0015451900000000 ] - [ -0.0003774100000000, 0.0008556700000000, -0.0024347600000000 ] - [ -0.0006826500000000, -0.0001271100000000, -0.0024597500000000 ] - [ -0.0025781600000000, -0.0007266100000000, -0.0008783800000000 ] - [ -0.0026091000000000, -0.0007545900000000, -0.0008422200000000 ] - [ -0.0007584200000000, -0.0000994100000000, -0.0024411600000000 ] - [ -0.0007567200000000, -0.0001016900000000, -0.0024362900000000 ] - [ -0.0025848000000000, 0.0007601400000000, -0.0009320700000000 ] - [ -0.0025928400000000, 0.0007229200000000, -0.0008273500000000 ] - [ 0.0016767800000000, 0.0007146000000000, 0.0007979800000000 ] - [ 0.0016651000000000, 0.0007349800000000, 0.0008221300000000 ] - [ 0.0229124600000000, -0.0016882300000000, 0.0004127900000000 ] - [ 0.0015027400000000, 0.0000447200000000, 0.0000890900000000 ] - [ 0.0029612300000000, -0.0002964600000000, -0.0002617800000000 ] - [ 0.0013656300000000, -0.0003942300000000, -0.0000758500000000 ] - [ 0.0031132400000000, -0.0012634900000000, 0.0029113000000000 ] - [ 0.0031427800000000, -0.0012112800000000, 0.0029571600000000 ] - [ 0.0016615300000000, -0.0007965900000000, 0.0009053200000000 ] - [ 0.0017703900000000, -0.0009646800000000, 0.0011979900000000 ] - [ 0.0013862100000000, -0.0000198200000000, -0.0000798200000000 ] - [ 0.0013887500000000, -0.0000193000000000, -0.0000746400000000 ] - [ 0.0013604300000000, 0.0004629300000000, -0.0001287500000000 ] - [ 0.0013557400000000, 0.0004731000000000, -0.0001225100000000 ] - [ 0.0031279400000000, 0.0012157400000000, 0.0029537900000000 ] - [ 0.0031637700000000, 0.0012718500000000, 0.0029864300000000 ] - [ -0.0012059500000000, -0.0006815100000000, -0.0022908500000000 ] - [ -0.0013076800000000, -0.0012948100000000, -0.0011359000000000 ] - [ -0.0013732000000000, 0.0012890900000000, -0.0012350700000000 ] - [ -0.0013712900000000, 0.0012817200000000, -0.0012226000000000 ] - [ -0.0009840800000000, -0.0000649400000000, -0.0007887600000000 ] - [ -0.0014987600000000, 0.0024073500000000, -0.0016058300000000 ] - [ -0.0013745500000000, -0.0002209600000000, -0.0003008900000000 ] - [ -0.0013829600000000, -0.0004081000000000, -0.0001772800000000 ] - [ -0.0009291000000000, -0.0005157300000000, -0.0010696100000000 ] - [ -0.0009262100000000, -0.0005102100000000, -0.0010652800000000 ] - [ -0.0013934000000000, 0.0003059900000000, -0.0003416800000000 ] - [ -0.0013928200000000, 0.0002849400000000, -0.0003202500000000 ] - [ -0.0043064500000000, -0.0014386600000000, 0.0003982900000000 ] - [ -0.0025473000000000, -0.0007605700000000, -0.0004895700000000 ] - [ -0.0019859400000000, -0.0007430300000000, 0.0009863900000000 ] - [ -0.0019819300000000, -0.0007630000000000, 0.0010632500000000 ] - [ -0.0022965700000000, 0.0011910600000000, -0.0005529000000000 ] - [ -0.0022974400000000, 0.0011910300000000, -0.0005452900000000 ] - [ -0.0020183400000000, 0.0007251100000000, 0.0010249400000000 ] - [ -0.0019910600000000, 0.0007533100000000, 0.0010693200000000 ] - [ -0.0005028900000000, 0.0009972000000000, 0.0001419100000000 ] - [ -0.0004926400000000, 0.0010085000000000, 0.0001575400000000 ] - [ -0.0005863500000000, -0.0012859900000000, -0.0001624800000000 ] - [ -0.0005580400000000, -0.0009550400000000, 0.0001960600000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0032221200000000, 0.0042039200000000, -0.0026374500000000 ] - [ 0.0006727900000000, -0.0012521800000000, 0.0004244800000000 ] - [ 0.0003599000000000, -0.0007721200000000, 0.0003008600000000 ] - [ 0.0003360800000000, -0.0001961900000000, -0.0002148000000000 ] - [ 0.0006596900000000, 0.0004743800000000, 0.0009311900000000 ] - [ 0.0006596900000000, 0.0005038500000000, 0.0009235800000000 ] - [ 0.0003472700000000, 0.0005373800000000, 0.0000526900000000 ] - [ 0.0003371500000000, 0.0004437000000000, 0.0000135100000000 ] - [ -0.0006453800000000, -0.0008497500000000, -0.0002091700000000 ] - [ -0.0006550100000000, -0.0009554400000000, -0.0001119700000000 ] - [ -0.0016053500000000, 0.0021627200000000, 0.0020667000000000 ] - [ -0.0004355500000000, -0.0014882200000000, 0.0012181700000000 ] - [ -0.0006236200000000, 0.0007645000000000, -0.0002931700000000 ] - [ -0.0006175500000000, 0.0010378400000000, -0.0000013500000000 ] - [ -0.0002328400000000, 0.0007574600000000, 0.0010535600000000 ] - [ -0.0002349600000000, 0.0007771000000000, 0.0010653400000000 ] - [ 0.0036524400000000, 0.0024171300000000, -0.0004832200000000 ] - [ 0.0034938800000000, 0.0020348200000000, -0.0008700400000000 ] - [ 0.0034902500000000, 0.0019679800000000, 0.0008882700000000 ] - [ 0.0024412100000000, -0.0006544200000000, 0.0007902800000000 ] - [ 0.0035406100000000, -0.0021720000000000, -0.0007370300000000 ] - [ 0.0035628600000000, -0.0022311200000000, -0.0006736500000000 ] - [ 0.0023394800000000, -0.0001015700000000, 0.0007616600000000 ] - [ 0.0023392000000000, -0.0001181400000000, 0.0007488700000000 ] - [ -0.0010100500000000, 0.0021468600000000, -0.0000863800000000 ] - [ -0.0013156000000000, -0.0010891200000000, 0.0002624500000000 ] - [ 0.0004172300000000, -0.0023252900000000, -0.0012845000000000 ] - [ 0.0004415300000000, -0.0024545300000000, -0.0013696600000000 ] - [ -0.0013181000000000, 0.0001893500000000, 0.0004453900000000 ] - [ -0.0013212900000000, 0.0001647500000000, 0.0004609000000000 ] - [ 0.0004683300000000, 0.0026813100000000, -0.0015520200000000 ] - [ 0.0002532400000000, 0.0020511600000000, -0.0011243100000000 ] - [ -0.0039975900000000, 0.0008818300000000, -0.0037340700000000 ] - [ -0.0052158500000000, 0.0017706300000000, -0.0039012900000000 ] - [ -0.0012599600000000, 0.0001407900000000, -0.0005048900000000 ] - [ -0.0009213100000000, 0.0008603000000000, -0.0004109500000000 ] - [ 0.0010062500000000, 0.0012718200000000, 0.0023574400000000 ] - [ 0.0010000500000000, 0.0013750000000000, 0.0023377300000000 ] - [ -0.0052708600000000, -0.0014158500000000, -0.0038744200000000 ] - [ -0.0052704100000000, -0.0014156100000000, -0.0038776100000000 ] - [ -0.0009203000000000, -0.0006236400000000, -0.0004700700000000 ] - [ -0.0009208900000000, -0.0006202100000000, -0.0004874900000000 ] - [ -0.0003391400000000, 0.0010420700000000, -0.0021300400000000 ] - [ -0.0007276300000000, 0.0016922900000000, -0.0020344600000000 ] - [ 0.0010118300000000, -0.0013173200000000, 0.0024114600000000 ] - [ 0.0010109100000000, -0.0013305900000000, 0.0022926800000000 ] - [ -0.0001528400000000, 0.0033596400000000, 0.0045452600000000 ] - [ 0.0037902400000000, 0.0006575800000000, 0.0033525800000000 ] - [ -0.0006469100000000, -0.0014936700000000, -0.0021474200000000 ] - [ -0.0006460200000000, -0.0014936300000000, -0.0021223200000000 ] - [ 0.0012824200000000, -0.0004880200000000, 0.0011728900000000 ] - [ 0.0013426900000000, -0.0004021700000000, 0.0017486600000000 ] - [ 0.0037213300000000, -0.0003001300000000, 0.0030479300000000 ] - [ 0.0037169500000000, -0.0002925900000000, 0.0030461900000000 ] - [ 0.0012715700000000, 0.0004608800000000, 0.0015602400000000 ] - [ 0.0012587300000000, 0.0004890600000000, 0.0015557400000000 ] - [ -0.0007764300000000, 0.0011968600000000, -0.0031355800000000 ] - [ -0.0004324600000000, 0.0008190100000000, -0.0020674100000000 ] - [ -0.0025901200000000, -0.0007522800000000, -0.0008836900000000 ] - [ -0.0026009700000000, -0.0007295500000000, -0.0008125600000000 ] - [ -0.0007529100000000, -0.0001062000000000, -0.0024263500000000 ] - [ -0.0007623600000000, -0.0000870900000000, -0.0024217200000000 ] - [ -0.0025373200000000, 0.0006511100000000, -0.0007977200000000 ] - [ -0.0026562900000000, 0.0008360200000000, -0.0008642700000000 ] - [ 0.0016759000000000, 0.0007192900000000, 0.0008259800000000 ] - [ 0.0016588900000000, 0.0007464100000000, 0.0008417000000000 ] - [ 0.0030926400000000, -0.0173551600000000, 0.0027530700000000 ] - [ 0.0013688000000000, 0.0002880600000000, -0.0000376500000000 ] - [ 0.0011682300000000, -0.0018429600000000, 0.0002532500000000 ] - [ 0.0013058600000000, -0.0002132900000000, -0.0000548300000000 ] - [ 0.0031313900000000, -0.0012652500000000, 0.0029571200000000 ] - [ 0.0031480300000000, -0.0011825100000000, 0.0029579700000000 ] - [ 0.0016324200000000, -0.0008115000000000, 0.0009892300000000 ] - [ 0.0015908300000000, -0.0003258700000000, 0.0003565300000000 ] - [ 0.0013933800000000, -0.0000161700000000, -0.0000533500000000 ] - [ 0.0013938900000000, -0.0000168900000000, -0.0000591000000000 ] - [ 0.0013505900000000, 0.0004666900000000, -0.0000998400000000 ] - [ 0.0013574100000000, 0.0004643600000000, -0.0001237700000000 ] - [ 0.0031502300000000, 0.0012302500000000, 0.0030188100000000 ] - [ 0.0031235800000000, 0.0012196600000000, 0.0028655400000000 ] - [ -0.0017118600000000, -0.0017191700000000, -0.0015098000000000 ] - [ -0.0012595500000000, -0.0010795400000000, -0.0011176200000000 ] - [ -0.0013705400000000, 0.0012929000000000, -0.0012132400000000 ] - [ -0.0013682500000000, 0.0012918600000000, -0.0011913800000000 ] - [ -0.0009193100000000, 0.0013976000000000, -0.0008948500000000 ] - [ -0.0024214400000000, 0.0034525200000000, -0.0020702500000000 ] - [ -0.0013768300000000, -0.0002104200000000, -0.0003991700000000 ] - [ -0.0013727800000000, -0.0003961600000000, -0.0000934400000000 ] - [ -0.0009340000000000, -0.0005133600000000, -0.0010464700000000 ] - [ -0.0009296300000000, -0.0005010200000000, -0.0010435100000000 ] - [ -0.0013958300000000, 0.0002700400000000, -0.0003117700000000 ] - [ -0.0013887900000000, 0.0003180200000000, -0.0003011500000000 ] - [ -0.0021683400000000, -0.0007401400000000, -0.0008237200000000 ] - [ -0.0024701300000000, -0.0007037200000000, -0.0004295000000000 ] - [ -0.0019755700000000, -0.0007628000000000, 0.0010161400000000 ] - [ -0.0019954000000000, -0.0007482500000000, 0.0010945400000000 ] - [ -0.0022972600000000, 0.0011841800000000, -0.0005288500000000 ] - [ -0.0022926200000000, 0.0011951800000000, -0.0005346000000000 ] - [ -0.0020472300000000, 0.0006784600000000, 0.0010632000000000 ] - [ -0.0019192300000000, 0.0008413500000000, 0.0010465000000000 ] - [ -0.0005017600000000, 0.0009882800000000, 0.0001709800000000 ] - [ -0.0004881000000000, 0.0010129500000000, 0.0001754000000000 ] - [ -0.0004474900000000, -0.0010185100000000, 0.0004175100000000 ] - [ -0.0005242300000000, -0.0009278400000000, 0.0000507300000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019923500000000, -0.0052912200000000, 0.0045250600000000 ] - [ 0.0006442700000000, 0.0002729800000000, 0.0013277500000000 ] - [ 0.0003326200000000, -0.0001976300000000, -0.0003236400000000 ] - [ 0.0003557500000000, -0.0007781700000000, 0.0001902800000000 ] - [ 0.0006576300000000, 0.0005076200000000, 0.0008217500000000 ] - [ 0.0006575100000000, 0.0004777600000000, 0.0008293600000000 ] - [ 0.0003456500000000, 0.0004333100000000, -0.0000776200000000 ] - [ 0.0003555800000000, 0.0005275300000000, -0.0000387600000000 ] - [ -0.0006494900000000, -0.0009619700000000, -0.0001786500000000 ] - [ -0.0006401100000000, -0.0008550300000000, -0.0002755600000000 ] - [ 0.0012130100000000, -0.0037678600000000, -0.0001031900000000 ] - [ -0.0000332900000000, -0.0000420300000000, 0.0008155000000000 ] - [ -0.0006717500000000, 0.0010479400000000, -0.0000951100000000 ] - [ -0.0006777100000000, 0.0007714100000000, -0.0003858800000000 ] - [ -0.0002352300000000, 0.0007750200000000, 0.0009795200000000 ] - [ -0.0002331100000000, 0.0007552800000000, 0.0009677300000000 ] - [ 0.0034428100000000, 0.0019877300000000, -0.0010230300000000 ] - [ 0.0035990400000000, 0.0023686000000000, -0.0006342400000000 ] - [ 0.0011961800000000, -0.0017482200000000, 0.0005253100000000 ] - [ 0.0022370000000000, 0.0008788400000000, 0.0006195000000000 ] - [ 0.0035521600000000, -0.0022311300000000, -0.0007682600000000 ] - [ 0.0035300400000000, -0.0021721700000000, -0.0008320700000000 ] - [ 0.0023385200000000, -0.0001235800000000, 0.0006485000000000 ] - [ 0.0023389400000000, -0.0001071100000000, 0.0006614200000000 ] - [ -0.0016508700000000, -0.0024935600000000, 0.0008474900000000 ] - [ -0.0013201000000000, 0.0007370300000000, 0.0005178800000000 ] - [ 0.0004299400000000, -0.0024661100000000, -0.0015081800000000 ] - [ 0.0004061600000000, -0.0023377300000000, -0.0014220900000000 ] - [ -0.0013183500000000, 0.0001640700000000, 0.0003356400000000 ] - [ -0.0013152700000000, 0.0001884800000000, 0.0003200600000000 ] - [ 0.0003797200000000, 0.0021119800000000, -0.0012395700000000 ] - [ 0.0005948600000000, 0.0027414000000000, -0.0016697300000000 ] - [ -0.0065345100000000, 0.0019509100000000, -0.0039687800000000 ] - [ -0.0053220600000000, 0.0010557600000000, -0.0038053400000000 ] - [ -0.0005830300000000, 0.0011101800000000, -0.0004147400000000 ] - [ -0.0009230700000000, 0.0003897600000000, -0.0005096900000000 ] - [ 0.0010112100000000, 0.0013654900000000, 0.0023720900000000 ] - [ 0.0010173000000000, 0.0012622300000000, 0.0023913800000000 ] - [ -0.0052677300000000, -0.0014102800000000, -0.0038321600000000 ] - [ -0.0052681900000000, -0.0014105400000000, -0.0038289900000000 ] - [ -0.0009239100000000, -0.0006258300000000, -0.0004499200000000 ] - [ -0.0009234600000000, -0.0006290400000000, -0.0004323000000000 ] - [ -0.0009481300000000, 0.0019709800000000, -0.0020812300000000 ] - [ -0.0005586400000000, 0.0013200900000000, -0.0021752500000000 ] - [ 0.0010058500000000, -0.0013196200000000, 0.0023178700000000 ] - [ 0.0010065300000000, -0.0013058900000000, 0.0024370800000000 ] - [ 0.0075206400000000, -0.0027119800000000, 0.0016210300000000 ] - [ 0.0036412600000000, -0.0000437100000000, 0.0027967600000000 ] - [ -0.0006395600000000, -0.0015180800000000, -0.0020629200000000 ] - [ -0.0006403500000000, -0.0015180100000000, -0.0020881400000000 ] - [ 0.0012517800000000, -0.0004729100000000, 0.0019883900000000 ] - [ 0.0011915600000000, -0.0005584300000000, 0.0014117400000000 ] - [ 0.0037096100000000, -0.0003119200000000, 0.0031010300000000 ] - [ 0.0037139500000000, -0.0003194300000000, 0.0031027600000000 ] - [ 0.0012631000000000, 0.0005004400000000, 0.0016010300000000 ] - [ 0.0012759900000000, 0.0004722800000000, 0.0016057800000000 ] - [ -0.0007443600000000, -0.0009924400000000, -0.0016965100000000 ] - [ -0.0010843600000000, -0.0006426900000000, -0.0027562500000000 ] - [ -0.0026153700000000, -0.0007160700000000, -0.0007565900000000 ] - [ -0.0026045100000000, -0.0007379300000000, -0.0008272200000000 ] - [ -0.0007621300000000, -0.0000795900000000, -0.0023912400000000 ] - [ -0.0007526800000000, -0.0000987500000000, -0.0023959500000000 ] - [ -0.0026683200000000, 0.0008172000000000, -0.0008426400000000 ] - [ -0.0025491500000000, 0.0006317700000000, -0.0007753900000000 ] - [ 0.0016521600000000, 0.0007644800000000, 0.0008905400000000 ] - [ 0.0016692000000000, 0.0007371300000000, 0.0008742100000000 ] - [ -0.0002460500000000, 0.0175104300000000, -0.0029292900000000 ] - [ 0.0014317000000000, -0.0002613400000000, -0.0000273000000000 ] - [ 0.0015271900000000, 0.0009190900000000, -0.0003906400000000 ] - [ 0.0013898500000000, -0.0007140200000000, -0.0001264400000000 ] - [ 0.0031558200000000, -0.0012002600000000, 0.0030041300000000 ] - [ 0.0031387000000000, -0.0012832200000000, 0.0030009600000000 ] - [ 0.0016956300000000, -0.0006723200000000, 0.0007266500000000 ] - [ 0.0017387800000000, -0.0011581600000000, 0.0013603400000000 ] - [ 0.0014069200000000, -0.0000101400000000, -0.0000118600000000 ] - [ 0.0014063800000000, -0.0000094500000000, -0.0000060400000000 ] - [ 0.0013449000000000, 0.0004607700000000, -0.0000808100000000 ] - [ 0.0013380200000000, 0.0004631500000000, -0.0000567800000000 ] - [ 0.0031365300000000, 0.0012359000000000, 0.0029404900000000 ] - [ 0.0031636100000000, 0.0012469500000000, 0.0030939600000000 ] - [ -0.0010263500000000, -0.0008734900000000, -0.0008432500000000 ] - [ -0.0014771000000000, -0.0015188000000000, -0.0012288400000000 ] - [ -0.0013656300000000, 0.0013052100000000, -0.0011342000000000 ] - [ -0.0013680000000000, 0.0013064800000000, -0.0011559900000000 ] - [ -0.0009455900000000, -0.0003778300000000, -0.0011439400000000 ] - [ 0.0005777000000000, -0.0025025500000000, 0.0000477500000000 ] - [ -0.0014061500000000, -0.0003779700000000, -0.0001690600000000 ] - [ -0.0014107600000000, -0.0001905800000000, -0.0004753100000000 ] - [ -0.0009371800000000, -0.0004884600000000, -0.0009975400000000 ] - [ -0.0009415300000000, -0.0005008800000000, -0.0010005100000000 ] - [ -0.0013874000000000, 0.0003181400000000, -0.0002564000000000 ] - [ -0.0013944400000000, 0.0002699200000000, -0.0002668100000000 ] - [ -0.0024070000000000, -0.0016345800000000, -0.0002062900000000 ] - [ -0.0021154200000000, -0.0016725000000000, -0.0005974100000000 ] - [ -0.0019985100000000, -0.0007598100000000, 0.0011347100000000 ] - [ -0.0019786100000000, -0.0007736600000000, 0.0010561300000000 ] - [ -0.0022877200000000, 0.0011924900000000, -0.0004986600000000 ] - [ -0.0022922800000000, 0.0011815100000000, -0.0004928900000000 ] - [ -0.0019270800000000, 0.0008441700000000, 0.0010870200000000 ] - [ -0.0020551000000000, 0.0006814600000000, 0.0011043500000000 ] - [ -0.0004810400000000, 0.0010100200000000, 0.0002234000000000 ] - [ -0.0004948100000000, 0.0009853700000000, 0.0002188000000000 ] - [ -0.0005354700000000, -0.0009803800000000, -0.0000244300000000 ] - [ -0.0004589000000000, -0.0010696800000000, 0.0003443400000000 ]- atom: 67 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ -0.0014365800000000, -0.0038229100000000, 0.0052545500000000 ] - [ 0.0007585700000000, -0.0005758000000000, 0.0013841500000000 ] - [ 0.0003610700000000, -0.0001378700000000, -0.0001509700000000 ] - [ -0.0000078300000000, -0.0013461700000000, -0.0002919500000000 ] - [ 0.0006580500000000, 0.0005307400000000, 0.0005289400000000 ] - [ 0.0006434100000000, 0.0004580100000000, 0.0005001200000000 ] - [ 0.0003723300000000, 0.0004966800000000, -0.0003823500000000 ] - [ 0.0003438100000000, 0.0004478100000000, -0.0002970100000000 ] - [ -0.0005841300000000, -0.0010979100000000, -0.0005284700000000 ] - [ -0.0006413900000000, -0.0008222900000000, -0.0004194600000000 ] - [ -0.0014374000000000, 0.0004393400000000, 0.0048275000000000 ] - [ -0.0001262000000000, -0.0003812800000000, 0.0018147400000000 ] - [ -0.0005991200000000, 0.0007889300000000, -0.0003312000000000 ] - [ -0.0007457900000000, 0.0012726500000000, -0.0007741600000000 ] - [ -0.0002312200000000, 0.0007592700000000, 0.0007253600000000 ] - [ -0.0002328800000000, 0.0007611200000000, 0.0006962500000000 ] - [ 0.0041532300000000, 0.0025294500000000, -0.0012098600000000 ] - [ 0.0035686200000000, 0.0020916500000000, -0.0006886600000000 ] - [ 0.0037470400000000, 0.0003814200000000, 0.0029776800000000 ] - [ 0.0022401500000000, 0.0004416100000000, 0.0011436800000000 ] - [ 0.0035590000000000, -0.0022473000000000, -0.0011194400000000 ] - [ 0.0035124000000000, -0.0021606600000000, -0.0010553800000000 ] - [ 0.0023318100000000, -0.0001184300000000, 0.0003338300000000 ] - [ 0.0023430000000000, -0.0001390800000000, 0.0003717100000000 ] - [ -0.0010747300000000, -0.0002826700000000, 0.0052152400000000 ] - [ -0.0013977000000000, -0.0003665600000000, 0.0014665100000000 ] - [ 0.0002544900000000, -0.0022659900000000, -0.0019737500000000 ] - [ 0.0004062600000000, -0.0024798200000000, -0.0017302300000000 ] - [ -0.0013167800000000, 0.0001670400000000, -0.0000717500000000 ] - [ -0.0013120100000000, 0.0001832700000000, -0.0000371800000000 ] - [ 0.0002810000000000, 0.0020678100000000, -0.0018433600000000 ] - [ 0.0006369200000000, 0.0027223200000000, -0.0016928500000000 ] - [ -0.0045197300000000, 0.0016237200000000, -0.0053255500000000 ] - [ -0.0052821500000000, 0.0014190100000000, -0.0042436900000000 ] - [ -0.0008774500000000, 0.0008221300000000, -0.0004579300000000 ] - [ -0.0009002100000000, 0.0005613900000000, -0.0006061000000000 ] - [ 0.0010249700000000, 0.0013149300000000, 0.0025229900000000 ] - [ 0.0010094900000000, 0.0012828500000000, 0.0024331300000000 ] - [ -0.0052618300000000, -0.0013974900000000, -0.0036898700000000 ] - [ -0.0052573500000000, -0.0013936000000000, -0.0036926500000000 ] - [ -0.0009313100000000, -0.0006384100000000, -0.0003230000000000 ] - [ -0.0009375800000000, -0.0006562600000000, -0.0003199500000000 ] - [ -0.0005320300000000, 0.0016603700000000, -0.0018296000000000 ] - [ -0.0006284800000000, 0.0013886900000000, -0.0022260600000000 ] - [ 0.0009920200000000, -0.0012449500000000, 0.0025299600000000 ] - [ 0.0010518800000000, -0.0013418900000000, 0.0024959900000000 ] - [ 0.0024460100000000, 0.0014072900000000, 0.0019363000000000 ] - [ 0.0036937700000000, -0.0001521700000000, 0.0023633800000000 ] - [ -0.0006280400000000, -0.0016201300000000, -0.0018651000000000 ] - [ -0.0006197000000000, -0.0015674400000000, -0.0019242800000000 ] - [ 0.0011162700000000, -0.0006531500000000, 0.0018252500000000 ] - [ 0.0013327800000000, -0.0003096700000000, 0.0014513100000000 ] - [ 0.0036893400000000, -0.0003812300000000, 0.0032814800000000 ] - [ 0.0036905600000000, -0.0003732900000000, 0.0032578600000000 ] - [ 0.0012832200000000, 0.0005321000000000, 0.0017637800000000 ] - [ 0.0012830400000000, 0.0005051200000000, 0.0017222200000000 ] - [ -0.0009227600000000, -0.0009002100000000, -0.0021777800000000 ] - [ -0.0004839300000000, 0.0006960900000000, -0.0025668800000000 ] - [ -0.0026385700000000, -0.0007842800000000, -0.0007228200000000 ] - [ -0.0025564800000000, -0.0005836200000000, -0.0006634300000000 ] - [ -0.0007573400000000, -0.0000643900000000, -0.0022965700000000 ] - [ -0.0007558000000000, -0.0000704400000000, -0.0023098500000000 ] - [ -0.0026429800000000, 0.0007094000000000, -0.0006228100000000 ] - [ -0.0025981300000000, 0.0006786500000000, -0.0007488800000000 ] - [ 0.0016450100000000, 0.0008439100000000, 0.0011485000000000 ] - [ 0.0016453600000000, 0.0007847000000000, 0.0009904200000000 ] - [ 0.0017212300000000, 0.0028641900000000, -0.0275495900000000 ] - [ 0.0012813600000000, 0.0000091200000000, -0.0004179700000000 ] - [ 0.0006942100000000, 0.0004027600000000, 0.0122625500000000 ] - [ 0.0013641800000000, -0.0005402000000000, -0.0001892600000000 ] - [ 0.0033099300000000, -0.0012117200000000, 0.0035965700000000 ] - [ 0.0031552200000000, -0.0012583200000000, 0.0030422300000000 ] - [ 0.0017029700000000, -0.0006385000000000, 0.0007774600000000 ] - [ 0.0016826000000000, -0.0012080200000000, 0.0013729900000000 ] - [ 0.0014467300000000, 0.0000072000000000, 0.0001286900000000 ] - [ 0.0014415900000000, 0.0000128700000000, 0.0001326700000000 ] - [ 0.0013036400000000, 0.0004589800000000, 0.0000448200000000 ] - [ 0.0013075000000000, 0.0004423100000000, 0.0000557900000000 ] - [ 0.0032058100000000, 0.0012795800000000, 0.0030976800000000 ] - [ 0.0031349500000000, 0.0011937300000000, 0.0031850000000000 ] - [ -0.0007628100000000, -0.0021825200000000, 0.0011452400000000 ] - [ -0.0014086400000000, -0.0013099800000000, -0.0012866000000000 ] - [ -0.0013515700000000, 0.0013266700000000, -0.0009895000000000 ] - [ -0.0013605300000000, 0.0013740600000000, -0.0009702000000000 ] - [ -0.0009503200000000, 0.0011297100000000, -0.0014885800000000 ] - [ 0.0001033700000000, -0.0013725000000000, -0.0012250600000000 ] - [ -0.0013893700000000, -0.0004860800000000, -0.0002776800000000 ] - [ -0.0014149300000000, -0.0000417000000000, -0.0002254100000000 ] - [ -0.0009642700000000, -0.0004502400000000, -0.0008485900000000 ] - [ -0.0009652400000000, -0.0004642600000000, -0.0008680900000000 ] - [ -0.0013847000000000, 0.0002842900000000, -0.0000903100000000 ] - [ -0.0013896900000000, 0.0002963400000000, -0.0001434100000000 ] - [ -0.0017051700000000, -0.0020118000000000, -0.0006527800000000 ] - [ -0.0025120000000000, -0.0008234200000000, -0.0007983100000000 ] - [ -0.0020212500000000, -0.0008360300000000, 0.0012504600000000 ] - [ -0.0020470100000000, -0.0007131400000000, 0.0011449600000000 ] - [ -0.0022739300000000, 0.0011806800000000, -0.0003801100000000 ] - [ -0.0022774100000000, 0.0011764500000000, -0.0003937400000000 ] - [ -0.0019606500000000, 0.0008790300000000, 0.0012756800000000 ] - [ -0.0020479900000000, 0.0007227300000000, 0.0011497100000000 ] - [ -0.0004611300000000, 0.0009876400000000, 0.0003884200000000 ] - [ -0.0004731600000000, 0.0009866300000000, 0.0003398400000000 ] - [ -0.0004680700000000, -0.0007266600000000, 0.0004523700000000 ] - [ -0.0004647600000000, -0.0011319800000000, 0.0002000400000000 ]- atom: 67 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0026822800000000, 0.0027183800000000, -0.0034043500000000 ] - [ 0.0005593600000000, -0.0004043800000000, 0.0003719400000000 ] - [ 0.0003321500000000, -0.0008331700000000, 0.0001241400000000 ] - [ 0.0007036100000000, 0.0003791200000000, 0.0002626400000000 ] - [ 0.0006595900000000, 0.0004505700000000, 0.0012230300000000 ] - [ 0.0006743200000000, 0.0005237600000000, 0.0012521200000000 ] - [ 0.0003210600000000, 0.0004744800000000, 0.0003562000000000 ] - [ 0.0003491100000000, 0.0005231700000000, 0.0002712700000000 ] - [ -0.0007119400000000, -0.0007119700000000, 0.0001398700000000 ] - [ -0.0006539800000000, -0.0009891700000000, 0.0000307700000000 ] - [ 0.0010213800000000, -0.0020395000000000, -0.0028416100000000 ] - [ -0.0003417300000000, -0.0011495900000000, 0.0002177400000000 ] - [ -0.0006958900000000, 0.0010216200000000, -0.0000559400000000 ] - [ -0.0005497500000000, 0.0005410400000000, 0.0003845800000000 ] - [ -0.0002366700000000, 0.0007732300000000, 0.0013065000000000 ] - [ -0.0002351200000000, 0.0007715800000000, 0.0013354700000000 ] - [ 0.0029345100000000, 0.0018733200000000, -0.0002988400000000 ] - [ 0.0035248400000000, 0.0023124200000000, -0.0008177400000000 ] - [ 0.0009928700000000, -0.0001335600000000, -0.0015215300000000 ] - [ 0.0024382200000000, -0.0002167500000000, 0.0002684200000000 ] - [ 0.0035345700000000, -0.0021577900000000, -0.0003867100000000 ] - [ 0.0035808300000000, -0.0022437300000000, -0.0004504500000000 ] - [ 0.0023460300000000, -0.0001073800000000, 0.0010754700000000 ] - [ 0.0023348200000000, -0.0000865300000000, 0.0010375100000000 ] - [ -0.0016888200000000, -0.0000086800000000, -0.0045449200000000 ] - [ -0.0012404600000000, 0.0000127100000000, -0.0006836700000000 ] - [ 0.0005949300000000, -0.0025268600000000, -0.0008201400000000 ] - [ 0.0004413200000000, -0.0023117100000000, -0.0010647500000000 ] - [ -0.0013204700000000, 0.0001840800000000, 0.0008514900000000 ] - [ -0.0013251300000000, 0.0001680900000000, 0.0008169700000000 ] - [ 0.0005656800000000, 0.0027218200000000, -0.0009499100000000 ] - [ 0.0002116000000000, 0.0020708500000000, -0.0011004800000000 ] - [ -0.0060051100000000, 0.0012082200000000, -0.0023842700000000 ] - [ -0.0052546600000000, 0.0014080900000000, -0.0034663400000000 ] - [ -0.0009653500000000, 0.0004275500000000, -0.0004582800000000 ] - [ -0.0009430300000000, 0.0006892300000000, -0.0003120000000000 ] - [ 0.0009935000000000, 0.0013226500000000, 0.0022059200000000 ] - [ 0.0010092600000000, 0.0013548900000000, 0.0022956400000000 ] - [ -0.0052751300000000, -0.0014300700000000, -0.0040191500000000 ] - [ -0.0052796500000000, -0.0014340400000000, -0.0040163500000000 ] - [ -0.0009121300000000, -0.0006123300000000, -0.0005950100000000 ] - [ -0.0009060300000000, -0.0005944400000000, -0.0005979100000000 ] - [ -0.0007533500000000, 0.0013538100000000, -0.0023800100000000 ] - [ -0.0006573300000000, 0.0016241600000000, -0.0019836600000000 ] - [ 0.0010268400000000, -0.0013926900000000, 0.0021985000000000 ] - [ 0.0009675000000000, -0.0012964400000000, 0.0022323500000000 ] - [ 0.0049945900000000, -0.0008019300000000, 0.0041938000000000 ] - [ 0.0037379800000000, 0.0007612100000000, 0.0037789000000000 ] - [ -0.0006575600000000, -0.0013937500000000, -0.0023429800000000 ] - [ -0.0006658600000000, -0.0014468500000000, -0.0022833600000000 ] - [ 0.0014209400000000, -0.0003120800000000, 0.0013423900000000 ] - [ 0.0012020700000000, -0.0006533100000000, 0.0017133700000000 ] - [ 0.0037421900000000, -0.0002292900000000, 0.0028645200000000 ] - [ 0.0037409700000000, -0.0002373500000000, 0.0028883300000000 ] - [ 0.0012515700000000, 0.0004305000000000, 0.0014001000000000 ] - [ 0.0012517700000000, 0.0004572900000000, 0.0014414500000000 ] - [ -0.0005950600000000, 0.0010875900000000, -0.0026424800000000 ] - [ -0.0010303300000000, -0.0005091900000000, -0.0022500600000000 ] - [ -0.0025680800000000, -0.0006849800000000, -0.0009175100000000 ] - [ -0.0026506000000000, -0.0008864500000000, -0.0009770300000000 ] - [ -0.0007594400000000, -0.0001200500000000, -0.0025202700000000 ] - [ -0.0007609900000000, -0.0001140200000000, -0.0025070900000000 ] - [ -0.0025644400000000, 0.0007606900000000, -0.0010178700000000 ] - [ -0.0026088400000000, 0.0007909800000000, -0.0008922900000000 ] - [ 0.0016811200000000, 0.0006411100000000, 0.0005686400000000 ] - [ 0.0016808000000000, 0.0007007400000000, 0.0007279900000000 ] - [ 0.0011280800000000, -0.0026940800000000, 0.0278038500000000 ] - [ 0.0015166800000000, 0.0000190800000000, 0.0003493300000000 ] - [ 0.0020016100000000, -0.0013453300000000, -0.0127510800000000 ] - [ 0.0013299600000000, -0.0003858500000000, 0.0000103800000000 ] - [ 0.0029736100000000, -0.0012531200000000, 0.0023571200000000 ] - [ 0.0031297500000000, -0.0012066700000000, 0.0029160200000000 ] - [ 0.0016239200000000, -0.0008466400000000, 0.0009389100000000 ] - [ 0.0016442300000000, -0.0002784700000000, 0.0003463700000000 ] - [ 0.0013515900000000, -0.0000354200000000, -0.0001962000000000 ] - [ 0.0013566900000000, -0.0000412100000000, -0.0002001800000000 ] - [ 0.0013905400000000, 0.0004669600000000, -0.0002232200000000 ] - [ 0.0013866300000000, 0.0004835000000000, -0.0002340800000000 ] - [ 0.0030791400000000, 0.0011855100000000, 0.0028601200000000 ] - [ 0.0031494300000000, 0.0012706900000000, 0.0027734500000000 ] - [ -0.0019617400000000, -0.0004298400000000, -0.0034423600000000 ] - [ -0.0013287500000000, -0.0012870600000000, -0.0010613100000000 ] - [ -0.0013854900000000, 0.0012703900000000, -0.0013566400000000 ] - [ -0.0013764800000000, 0.0012227600000000, -0.0013761000000000 ] - [ -0.0009213800000000, -0.0001300900000000, -0.0005601400000000 ] - [ -0.0019737800000000, 0.0023678700000000, -0.0008287900000000 ] - [ -0.0013932500000000, -0.0001020900000000, -0.0002890200000000 ] - [ -0.0013679700000000, -0.0005451800000000, -0.0003381000000000 ] - [ -0.0009078900000000, -0.0005503600000000, -0.0011973200000000 ] - [ -0.0009069400000000, -0.0005362900000000, -0.0011777400000000 ] - [ -0.0013980500000000, 0.0003037100000000, -0.0004769200000000 ] - [ -0.0013930600000000, 0.0002916800000000, -0.0004242000000000 ] - [ -0.0028836700000000, -0.0003610000000000, -0.0003752000000000 ] - [ -0.0020721300000000, -0.0015531800000000, -0.0002285800000000 ] - [ -0.0019508300000000, -0.0006881900000000, 0.0009002800000000 ] - [ -0.0019250600000000, -0.0008110600000000, 0.0010059600000000 ] - [ -0.0023091600000000, 0.0011971700000000, -0.0006466800000000 ] - [ -0.0023056800000000, 0.0012013100000000, -0.0006331100000000 ] - [ -0.0020106200000000, 0.0006461400000000, 0.0008747800000000 ] - [ -0.0019240700000000, 0.0008012500000000, 0.0010000700000000 ] - [ -0.0005198600000000, 0.0010119100000000, 0.0000089900000000 ] - [ -0.0005077400000000, 0.0010129900000000, 0.0000577300000000 ] - [ -0.0005130900000000, -0.0012722500000000, -0.0000553700000000 ] - [ -0.0005164600000000, -0.0008685100000000, 0.0001959400000000 ]- atom: 69 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0006987300000000, -0.0007228100000000, 0.0009775100000000 ] - [ 0.0007103400000000, -0.0002678300000000, 0.0009766600000000 ] - [ 0.0006334200000000, -0.0001782800000000, -0.0003308300000000 ] - [ 0.0033593700000000, 0.0031540400000000, 0.0023044200000000 ] - [ 0.0006479500000000, 0.0004481200000000, 0.0009666000000000 ] - [ 0.0006672300000000, 0.0005351300000000, 0.0009773400000000 ] - [ 0.0003421000000000, 0.0004792600000000, 0.0000748200000000 ] - [ 0.0003454400000000, 0.0004987600000000, 0.0000732200000000 ] - [ -0.0006457700000000, -0.0007883600000000, 0.0000306400000000 ] - [ -0.0005991900000000, -0.0010256500000000, -0.0002033500000000 ] - [ 0.0039377700000000, -0.0053913800000000, 0.0040859500000000 ] - [ 0.0000273300000000, -0.0006472200000000, 0.0008869500000000 ] - [ -0.0006543400000000, 0.0009471200000000, -0.0001070000000000 ] - [ -0.0006392500000000, 0.0008490800000000, -0.0001199900000000 ] - [ -0.0002331800000000, 0.0007639200000000, 0.0010951800000000 ] - [ -0.0002357500000000, 0.0007712500000000, 0.0010989200000000 ] - [ 0.0079802500000000, 0.0038308500000000, -0.0053236100000000 ] - [ 0.0034038800000000, 0.0026073300000000, -0.0009348600000000 ] - [ 0.0023984600000000, 0.0001176100000000, 0.0008508800000000 ] - [ 0.0023203600000000, 0.0002240300000000, 0.0006545200000000 ] - [ 0.0035496700000000, -0.0022033800000000, -0.0006535000000000 ] - [ 0.0035490200000000, -0.0022002700000000, -0.0006754200000000 ] - [ 0.0023489300000000, -0.0001113500000000, 0.0008202400000000 ] - [ 0.0023350400000000, -0.0001073700000000, 0.0007759200000000 ] - [ 0.0022998200000000, -0.0006016400000000, -0.0024919300000000 ] - [ -0.0016276400000000, -0.0001625000000000, 0.0002152200000000 ] - [ 0.0004958700000000, -0.0025258800000000, -0.0011854000000000 ] - [ 0.0003042400000000, -0.0023832300000000, -0.0014039400000000 ] - [ -0.0013214400000000, 0.0001723600000000, 0.0005191200000000 ] - [ -0.0013186200000000, 0.0001794200000000, 0.0004973800000000 ] - [ 0.0004285900000000, 0.0023792200000000, -0.0012246500000000 ] - [ 0.0004283600000000, 0.0024212200000000, -0.0013255900000000 ] - [ -0.0048413200000000, 0.0018217400000000, -0.0039759600000000 ] - [ -0.0052521000000000, 0.0013526700000000, -0.0038094900000000 ] - [ 0.0052633400000000, 0.0017264600000000, -0.0001489400000000 ] - [ -0.0008073400000000, 0.0005525000000000, -0.0003667500000000 ] - [ 0.0012340200000000, 0.0011611600000000, 0.0023218700000000 ] - [ 0.0010491300000000, 0.0012908100000000, 0.0024115600000000 ] - [ -0.0052718000000000, -0.0014156300000000, -0.0039004400000000 ] - [ -0.0052739400000000, -0.0014210100000000, -0.0038925700000000 ] - [ -0.0009193200000000, -0.0006184500000000, -0.0004996400000000 ] - [ -0.0009179200000000, -0.0006195000000000, -0.0004933500000000 ] - [ -0.0006689800000000, 0.0015138000000000, -0.0021810400000000 ] - [ -0.0006322200000000, 0.0014684600000000, -0.0021420000000000 ] - [ 0.0010109300000000, -0.0013330200000000, 0.0023093200000000 ] - [ 0.0010055800000000, -0.0013215600000000, 0.0023344300000000 ] - [ 0.0037714200000000, -0.0001562500000000, 0.0023439300000000 ] - [ 0.0037370900000000, 0.0003244500000000, 0.0031183700000000 ] - [ -0.0006141400000000, -0.0014465200000000, -0.0022281900000000 ] - [ -0.0006313700000000, -0.0014996500000000, -0.0021249000000000 ] - [ 0.0069609700000000, -0.0049924500000000, 0.0051665600000000 ] - [ 0.0014297100000000, -0.0003386100000000, 0.0015175000000000 ] - [ 0.0037218500000000, -0.0002860700000000, 0.0030128000000000 ] - [ 0.0037194700000000, -0.0002875400000000, 0.0030308100000000 ] - [ 0.0012618700000000, 0.0004719300000000, 0.0015352200000000 ] - [ 0.0012641100000000, 0.0004698000000000, 0.0015425800000000 ] - [ -0.0010816300000000, -0.0008662800000000, -0.0022043000000000 ] - [ -0.0005937000000000, 0.0008854400000000, -0.0025903400000000 ] - [ -0.0025778400000000, -0.0006178300000000, -0.0007376100000000 ] - [ -0.0027066900000000, -0.0006458600000000, -0.0005601900000000 ] - [ -0.0007572000000000, -0.0001001300000000, -0.0024384600000000 ] - [ -0.0007586700000000, -0.0000994300000000, -0.0024342700000000 ] - [ -0.0026125400000000, 0.0007654700000000, -0.0008703800000000 ] - [ -0.0025946400000000, 0.0007327700000000, -0.0008456700000000 ] - [ 0.0016865600000000, 0.0006825000000000, 0.0007034300000000 ] - [ 0.0016639100000000, 0.0007455200000000, 0.0008468400000000 ] - [ -0.0002131800000000, -0.0001662500000000, -0.0007751700000000 ] - [ 0.0013820300000000, -0.0000286100000000, -0.0000169000000000 ] - [ -0.0288209700000000, 0.0032409400000000, -0.0005945100000000 ] - [ 0.0012328800000000, -0.0005306300000000, 0.0000197100000000 ] - [ 0.0024195300000000, -0.0012447100000000, 0.0026369700000000 ] - [ 0.0031079200000000, -0.0012544600000000, 0.0030247400000000 ] - [ 0.0016604600000000, -0.0007375000000000, 0.0007891000000000 ] - [ 0.0016594900000000, -0.0007289100000000, 0.0008465600000000 ] - [ 0.0013873700000000, -0.0000163200000000, -0.0000772200000000 ] - [ 0.0013919700000000, -0.0000231300000000, -0.0000730900000000 ] - [ 0.0013601600000000, 0.0004668400000000, -0.0001301000000000 ] - [ 0.0013575300000000, 0.0004668700000000, -0.0001237100000000 ] - [ 0.0031251600000000, 0.0012264200000000, 0.0029261100000000 ] - [ 0.0031370900000000, 0.0012345300000000, 0.0029490200000000 ] - [ -0.0013566400000000, -0.0011938700000000, -0.0012957200000000 ] - [ -0.0013975100000000, -0.0013300900000000, -0.0012021600000000 ] - [ -0.0013858000000000, 0.0013114900000000, -0.0012122800000000 ] - [ -0.0013784500000000, 0.0012647500000000, -0.0012128500000000 ] - [ -0.0009376700000000, 0.0004115500000000, -0.0009996000000000 ] - [ -0.0011581100000000, 0.0004970400000000, -0.0005966000000000 ] - [ -0.0014133600000000, -0.0000041200000000, -0.0001142600000000 ] - [ -0.0005363700000000, -0.0025240500000000, -0.0012252200000000 ] - [ -0.0009284000000000, -0.0005216100000000, -0.0010719900000000 ] - [ -0.0009237600000000, -0.0005034100000000, -0.0010582300000000 ] - [ -0.0013925300000000, 0.0002996500000000, -0.0003297000000000 ] - [ -0.0013934200000000, 0.0002904300000000, -0.0003261700000000 ] - [ 0.0010046700000000, 0.0002035900000000, 0.0009657100000000 ] - [ -0.0020298900000000, -0.0015744800000000, -0.0005440200000000 ] - [ -0.0018110800000000, -0.0004806700000000, 0.0005651200000000 ] - [ -0.0018383900000000, -0.0008735500000000, 0.0010033900000000 ] - [ -0.0022976600000000, 0.0011913800000000, -0.0005503700000000 ] - [ -0.0022964700000000, 0.0011898900000000, -0.0005439200000000 ] - [ -0.0019658800000000, 0.0007648200000000, 0.0010282300000000 ] - [ -0.0019833000000000, 0.0007485100000000, 0.0010465000000000 ] - [ -0.0005087500000000, 0.0009872500000000, 0.0001526100000000 ] - [ -0.0004861900000000, 0.0009980000000000, 0.0001811000000000 ] - [ -0.0004882100000000, -0.0010188400000000, 0.0000979200000000 ] - [ -0.0004878300000000, -0.0009999900000000, 0.0001889000000000 ]- atom: 69 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0006162700000000, -0.0002615300000000, 0.0007760800000000 ] - [ 0.0006052600000000, -0.0007165000000000, 0.0007757300000000 ] - [ 0.0000583900000000, -0.0007935800000000, 0.0003059400000000 ] - [ -0.0026758200000000, -0.0041901500000000, -0.0023690400000000 ] - [ 0.0006687900000000, 0.0005335100000000, 0.0007863700000000 ] - [ 0.0006491600000000, 0.0004456600000000, 0.0007746100000000 ] - [ 0.0003514600000000, 0.0004923500000000, -0.0001002200000000 ] - [ 0.0003478300000000, 0.0004725100000000, -0.0000987700000000 ] - [ -0.0006459600000000, -0.0010263100000000, -0.0004179000000000 ] - [ -0.0006945200000000, -0.0007862000000000, -0.0001826000000000 ] - [ -0.0043356600000000, 0.0037433100000000, -0.0019696400000000 ] - [ -0.0004932800000000, -0.0008872200000000, 0.0011451600000000 ] - [ -0.0006407200000000, 0.0008631400000000, -0.0002803600000000 ] - [ -0.0006558200000000, 0.0009610400000000, -0.0002668000000000 ] - [ -0.0002347300000000, 0.0007687900000000, 0.0009368100000000 ] - [ -0.0002321900000000, 0.0007614700000000, 0.0009328700000000 ] - [ -0.0006896100000000, 0.0006655400000000, 0.0036636000000000 ] - [ 0.0036876700000000, 0.0017978100000000, -0.0005706200000000 ] - [ 0.0022842100000000, 0.0001100700000000, 0.0005585700000000 ] - [ 0.0023573500000000, 0.0000018000000000, 0.0007555300000000 ] - [ 0.0035431200000000, -0.0022016000000000, -0.0008522400000000 ] - [ 0.0035438200000000, -0.0022048700000000, -0.0008303000000000 ] - [ 0.0023292600000000, -0.0001141300000000, 0.0005898800000000 ] - [ 0.0023433100000000, -0.0001190100000000, 0.0006341300000000 ] - [ -0.0052233000000000, 0.0003925700000000, 0.0034669300000000 ] - [ -0.0010120200000000, -0.0001924100000000, 0.0005662700000000 ] - [ 0.0003412800000000, -0.0022604000000000, -0.0016091900000000 ] - [ 0.0005419900000000, -0.0024101600000000, -0.0013889200000000 ] - [ -0.0013160700000000, 0.0001785600000000, 0.0002609000000000 ] - [ -0.0013189400000000, 0.0001710800000000, 0.0002827700000000 ] - [ 0.0004186300000000, 0.0024128600000000, -0.0015694400000000 ] - [ 0.0004186500000000, 0.0023701100000000, -0.0014680400000000 ] - [ -0.0056964600000000, 0.0010026100000000, -0.0037317500000000 ] - [ -0.0052852700000000, 0.0014751000000000, -0.0038992200000000 ] - [ -0.0072256600000000, -0.0005027300000000, -0.0007663600000000 ] - [ -0.0010352300000000, 0.0006991100000000, -0.0005519800000000 ] - [ 0.0007877300000000, 0.0014749500000000, 0.0024063700000000 ] - [ 0.0009695500000000, 0.0013471900000000, 0.0023165200000000 ] - [ -0.0052657300000000, -0.0014119800000000, -0.0038079900000000 ] - [ -0.0052635400000000, -0.0014064100000000, -0.0038157400000000 ] - [ -0.0009243400000000, -0.0006323900000000, -0.0004185200000000 ] - [ -0.0009257500000000, -0.0006313100000000, -0.0004247700000000 ] - [ -0.0006169500000000, 0.0014992900000000, -0.0020275600000000 ] - [ -0.0006539500000000, 0.0015451000000000, -0.0020665400000000 ] - [ 0.0010076400000000, -0.0013049500000000, 0.0024195400000000 ] - [ 0.0010129900000000, -0.0013163600000000, 0.0023942600000000 ] - [ 0.0036615300000000, 0.0007726900000000, 0.0038153200000000 ] - [ 0.0036948700000000, 0.0002863100000000, 0.0030273800000000 ] - [ -0.0006713600000000, -0.0015674600000000, -0.0019809400000000 ] - [ -0.0006544300000000, -0.0015136500000000, -0.0020840200000000 ] - [ -0.0045026400000000, 0.0041152600000000, -0.0020533100000000 ] - [ 0.0011062800000000, -0.0006201400000000, 0.0016441800000000 ] - [ 0.0037094500000000, -0.0003251200000000, 0.0031341900000000 ] - [ 0.0037116800000000, -0.0003232800000000, 0.0031158600000000 ] - [ 0.0012727300000000, 0.0004901600000000, 0.0016285400000000 ] - [ 0.0012704900000000, 0.0004923500000000, 0.0016212200000000 ] - [ -0.0004298600000000, 0.0010486300000000, -0.0026168200000000 ] - [ -0.0009201700000000, -0.0006982300000000, -0.0022279200000000 ] - [ -0.0026293100000000, -0.0008535600000000, -0.0009025100000000 ] - [ -0.0025002300000000, -0.0008220500000000, -0.0010790100000000 ] - [ -0.0007590000000000, -0.0000846700000000, -0.0023786800000000 ] - [ -0.0007575900000000, -0.0000853000000000, -0.0023829400000000 ] - [ -0.0025941500000000, 0.0007034800000000, -0.0007697300000000 ] - [ -0.0026122200000000, 0.0007363800000000, -0.0007944300000000 ] - [ 0.0016411300000000, 0.0008030300000000, 0.0010187700000000 ] - [ 0.0016625700000000, 0.0007391600000000, 0.0008711600000000 ] - [ 0.0030162000000000, 0.0001937700000000, 0.0006632800000000 ] - [ 0.0014165200000000, 0.0000561600000000, -0.0000504400000000 ] - [ 0.0316948400000000, -0.0042712100000000, 0.0003845700000000 ] - [ 0.0014606200000000, -0.0003958500000000, -0.0001985800000000 ] - [ 0.0038667600000000, -0.0012201600000000, 0.0033486000000000 ] - [ 0.0031766600000000, -0.0012108900000000, 0.0029329800000000 ] - [ 0.0016663400000000, -0.0007476500000000, 0.0009296700000000 ] - [ 0.0016671600000000, -0.0007559000000000, 0.0008715500000000 ] - [ 0.0014114000000000, -0.0000113500000000, 0.0000104700000000 ] - [ 0.0014067500000000, -0.0000043700000000, 0.0000065200000000 ] - [ 0.0013340800000000, 0.0004595700000000, -0.0000487200000000 ] - [ 0.0013366700000000, 0.0004595600000000, -0.0000550600000000 ] - [ 0.0031600600000000, 0.0012389500000000, 0.0030325600000000 ] - [ 0.0031481900000000, 0.0012309200000000, 0.0030094400000000 ] - [ -0.0013809800000000, -0.0014032200000000, -0.0010524500000000 ] - [ -0.0013393000000000, -0.0012675000000000, -0.0011444600000000 ] - [ -0.0013513600000000, 0.0012856800000000, -0.0011350600000000 ] - [ -0.0013586600000000, 0.0013331700000000, -0.0011334300000000 ] - [ -0.0009342800000000, 0.0005896500000000, -0.0010454100000000 ] - [ -0.0007156200000000, 0.0005036300000000, -0.0014450500000000 ] - [ -0.0013718800000000, -0.0005825700000000, -0.0004531800000000 ] - [ -0.0022449200000000, 0.0019112500000000, 0.0006462600000000 ] - [ -0.0009435600000000, -0.0004799400000000, -0.0009728500000000 ] - [ -0.0009477600000000, -0.0004982100000000, -0.0009867700000000 ] - [ -0.0013908300000000, 0.0002877400000000, -0.0002378200000000 ] - [ -0.0013899100000000, 0.0002970000000000, -0.0002413400000000 ] - [ -0.0055495900000000, -0.0025521000000000, -0.0019792600000000 ] - [ -0.0025521100000000, -0.0008037300000000, -0.0004836100000000 ] - [ -0.0021578700000000, -0.0010418000000000, 0.0015759600000000 ] - [ -0.0021335400000000, -0.0006502500000000, 0.0011467600000000 ] - [ -0.0022857600000000, 0.0011858700000000, -0.0004766300000000 ] - [ -0.0022869800000000, 0.0011874200000000, -0.0004832000000000 ] - [ -0.0020067400000000, 0.0007589700000000, 0.0011226100000000 ] - [ -0.0019890900000000, 0.0007755500000000, 0.0011043700000000 ] - [ -0.0004725500000000, 0.0010114800000000, 0.0002441900000000 ] - [ -0.0004950000000000, 0.0010013400000000, 0.0002155100000000 ] - [ -0.0004931400000000, -0.0009807600000000, 0.0002993500000000 ] - [ -0.0004934600000000, -0.0009994900000000, 0.0002080100000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006316800000000, -0.0001055300000000, 0.0009649100000000 ] - [ 0.0006387900000000, -0.0008211300000000, 0.0007077500000000 ] - [ 0.0003289500000000, -0.0013125200000000, 0.0003768500000000 ] - [ 0.0035327700000000, 0.0056996800000000, 0.0042026200000000 ] - [ 0.0006564800000000, 0.0004311700000000, 0.0008743500000000 ] - [ 0.0006599800000000, 0.0005587100000000, 0.0008201100000000 ] - [ 0.0003506300000000, 0.0005015300000000, -0.0000368500000000 ] - [ 0.0003437400000000, 0.0004652500000000, -0.0000387400000000 ] - [ -0.0006171400000000, -0.0006331200000000, -0.0004537400000000 ] - [ -0.0006426600000000, -0.0011143200000000, -0.0000373200000000 ] - [ -0.0046334000000000, 0.0049310900000000, -0.0026526100000000 ] - [ -0.0005603900000000, -0.0016158600000000, 0.0008810900000000 ] - [ -0.0006400900000000, 0.0008486700000000, -0.0002353800000000 ] - [ -0.0006587400000000, 0.0009699600000000, -0.0002007200000000 ] - [ -0.0002305300000000, 0.0007528700000000, 0.0009952700000000 ] - [ -0.0002359100000000, 0.0007767200000000, 0.0009890500000000 ] - [ 0.0060290100000000, 0.0038776600000000, -0.0021489500000000 ] - [ 0.0034852100000000, 0.0014648900000000, -0.0007682800000000 ] - [ 0.0023948900000000, 0.0002941600000000, 0.0004641800000000 ] - [ 0.0023235900000000, -0.0001205200000000, 0.0008596000000000 ] - [ 0.0035462400000000, -0.0021988700000000, -0.0007875900000000 ] - [ 0.0035465500000000, -0.0022072900000000, -0.0007687800000000 ] - [ 0.0023406900000000, -0.0000814700000000, 0.0007180300000000 ] - [ 0.0023367000000000, -0.0001541700000000, 0.0006344100000000 ] - [ -0.0024490000000000, 0.0025929600000000, 0.0017436600000000 ] - [ -0.0015610900000000, -0.0013681700000000, 0.0005709400000000 ] - [ 0.0003233700000000, -0.0021031000000000, -0.0012631900000000 ] - [ 0.0004181500000000, -0.0028276600000000, -0.0015320500000000 ] - [ -0.0013172300000000, 0.0001833800000000, 0.0003644700000000 ] - [ -0.0013197900000000, 0.0001672800000000, 0.0003476500000000 ] - [ 0.0004237700000000, 0.0024366100000000, -0.0014945600000000 ] - [ 0.0004280800000000, 0.0023476000000000, -0.0013674400000000 ] - [ -0.0056187000000000, 0.0009156900000000, -0.0037677000000000 ] - [ -0.0052014700000000, 0.0016385000000000, -0.0039606300000000 ] - [ 0.0001861000000000, 0.0000393600000000, -0.0006670700000000 ] - [ -0.0009169700000000, 0.0010736900000000, -0.0003958500000000 ] - [ 0.0011963200000000, 0.0009393100000000, 0.0024174500000000 ] - [ 0.0010098300000000, 0.0014850900000000, 0.0023058900000000 ] - [ -0.0052675300000000, -0.0014134100000000, -0.0038529100000000 ] - [ -0.0052658900000000, -0.0014151000000000, -0.0038342400000000 ] - [ -0.0009219800000000, -0.0006270700000000, -0.0004480000000000 ] - [ -0.0009219400000000, -0.0006298400000000, -0.0004450700000000 ] - [ -0.0006239900000000, 0.0014723700000000, -0.0020809200000000 ] - [ -0.0006676900000000, 0.0015553000000000, -0.0020995600000000 ] - [ 0.0010093500000000, -0.0013116000000000, 0.0023908300000000 ] - [ 0.0010133200000000, -0.0013249500000000, 0.0023575400000000 ] - [ 0.0037100100000000, 0.0005272300000000, 0.0036309200000000 ] - [ 0.0038064400000000, 0.0002823900000000, 0.0028430300000000 ] - [ -0.0006351500000000, -0.0015107200000000, -0.0021556500000000 ] - [ -0.0006251200000000, -0.0015140000000000, -0.0020094000000000 ] - [ -0.0034584900000000, 0.0026701200000000, -0.0008978700000000 ] - [ 0.0013982600000000, -0.0000376300000000, 0.0013403000000000 ] - [ 0.0037210300000000, -0.0003208500000000, 0.0030804100000000 ] - [ 0.0037058200000000, -0.0002968200000000, 0.0030890600000000 ] - [ 0.0012711100000000, 0.0004814400000000, 0.0015965400000000 ] - [ 0.0012668500000000, 0.0004888000000000, 0.0015942700000000 ] - [ -0.0010488700000000, 0.0026761700000000, -0.0017047800000000 ] - [ 0.0004393300000000, 0.0029317800000000, -0.0030208700000000 ] - [ -0.0025872800000000, -0.0008030600000000, -0.0009260100000000 ] - [ -0.0027093400000000, -0.0004077400000000, -0.0003465200000000 ] - [ -0.0007549900000000, -0.0000967000000000, -0.0024017800000000 ] - [ -0.0007643400000000, -0.0000817000000000, -0.0023971300000000 ] - [ -0.0025924400000000, 0.0007093100000000, -0.0007971500000000 ] - [ -0.0026190000000000, 0.0007560800000000, -0.0008238300000000 ] - [ 0.0016999300000000, 0.0006905600000000, 0.0008124700000000 ] - [ 0.0016150800000000, 0.0008114300000000, 0.0008992100000000 ] - [ 0.0012317000000000, -0.0013691400000000, 0.0008130700000000 ] - [ 0.0013278600000000, 0.0002654900000000, -0.0001145700000000 ] - [ 0.0051413700000000, -0.0247228200000000, -0.0004266400000000 ] - [ 0.0012787600000000, -0.0000944400000000, -0.0000667400000000 ] - [ 0.0030799700000000, -0.0017821900000000, 0.0028838600000000 ] - [ 0.0031294000000000, -0.0010643200000000, 0.0029331200000000 ] - [ 0.0016616400000000, -0.0007455700000000, 0.0009142200000000 ] - [ 0.0016750900000000, -0.0007560900000000, 0.0008438200000000 ] - [ 0.0013961100000000, -0.0000128900000000, -0.0000315600000000 ] - [ 0.0014061200000000, -0.0000151300000000, -0.0000145900000000 ] - [ 0.0013424500000000, 0.0004630700000000, -0.0000771500000000 ] - [ 0.0013424600000000, 0.0004584600000000, -0.0000754700000000 ] - [ 0.0031505400000000, 0.0012363500000000, 0.0030057100000000 ] - [ 0.0031365300000000, 0.0012279000000000, 0.0029773300000000 ] - [ -0.0013823100000000, -0.0013995800000000, -0.0010909200000000 ] - [ -0.0013302400000000, -0.0012249000000000, -0.0011797800000000 ] - [ -0.0013762400000000, 0.0013060000000000, -0.0012118400000000 ] - [ -0.0013776000000000, 0.0012987900000000, -0.0010930400000000 ] - [ -0.0009513900000000, 0.0005702500000000, -0.0009254500000000 ] - [ -0.0007630000000000, 0.0005564400000000, -0.0014827000000000 ] - [ -0.0015038100000000, 0.0000697900000000, -0.0004096800000000 ] - [ -0.0026336400000000, 0.0016204800000000, 0.0009324000000000 ] - [ -0.0009477500000000, -0.0005182100000000, -0.0010136700000000 ] - [ -0.0009284200000000, -0.0004742700000000, -0.0010091200000000 ] - [ -0.0013915700000000, 0.0002845700000000, -0.0002696500000000 ] - [ -0.0013899200000000, 0.0003025300000000, -0.0002709600000000 ] - [ -0.0011445500000000, -0.0001840700000000, -0.0001551700000000 ] - [ -0.0023926500000000, -0.0007771300000000, -0.0004867100000000 ] - [ -0.0018877100000000, -0.0007933900000000, 0.0008125400000000 ] - [ -0.0021092600000000, -0.0006343500000000, 0.0012146800000000 ] - [ -0.0022917700000000, 0.0011854400000000, -0.0005037000000000 ] - [ -0.0022865600000000, 0.0011933600000000, -0.0005022000000000 ] - [ -0.0019999800000000, 0.0007516600000000, 0.0010970900000000 ] - [ -0.0019738200000000, 0.0007793500000000, 0.0010760400000000 ] - [ -0.0005179500000000, 0.0009397700000000, 0.0002081600000000 ] - [ -0.0004530500000000, 0.0010621200000000, 0.0002246200000000 ] - [ -0.0004871300000000, -0.0009961000000000, 0.0002698100000000 ] - [ -0.0005005300000000, -0.0009971200000000, 0.0001511200000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006840000000000, -0.0008798700000000, 0.0007877200000000 ] - [ 0.0006778800000000, -0.0001593000000000, 0.0010425900000000 ] - [ 0.0003633300000000, 0.0003441000000000, -0.0004000800000000 ] - [ -0.0029571300000000, -0.0068312700000000, -0.0043859900000000 ] - [ 0.0006604100000000, 0.0005499300000000, 0.0008777500000000 ] - [ 0.0006566200000000, 0.0004209600000000, 0.0009318300000000 ] - [ 0.0003420200000000, 0.0004681700000000, 0.0000120800000000 ] - [ 0.0003486200000000, 0.0005043400000000, 0.0000137700000000 ] - [ -0.0006767000000000, -0.0011809400000000, 0.0000666100000000 ] - [ -0.0006520100000000, -0.0006949600000000, -0.0003490100000000 ] - [ 0.0043019100000000, -0.0065692100000000, 0.0048026500000000 ] - [ 0.0000910000000000, 0.0000856000000000, 0.0011507300000000 ] - [ -0.0006548200000000, 0.0009612900000000, -0.0001520500000000 ] - [ -0.0006360500000000, 0.0008389800000000, -0.0001862300000000 ] - [ -0.0002368900000000, 0.0007782000000000, 0.0010375400000000 ] - [ -0.0002315200000000, 0.0007542600000000, 0.0010436800000000 ] - [ 0.0010734000000000, 0.0005116700000000, 0.0006405900000000 ] - [ 0.0036087200000000, 0.0029391000000000, -0.0007360600000000 ] - [ 0.0022859400000000, -0.0000676100000000, 0.0009459900000000 ] - [ 0.0023548900000000, 0.0003451100000000, 0.0005484000000000 ] - [ 0.0035472800000000, -0.0022057000000000, -0.0007171100000000 ] - [ 0.0035470300000000, -0.0021973800000000, -0.0007360200000000 ] - [ 0.0023375800000000, -0.0001445300000000, 0.0006911700000000 ] - [ 0.0023417800000000, -0.0000719600000000, 0.0007754700000000 ] - [ -0.0002413800000000, -0.0029342500000000, -0.0009246500000000 ] - [ -0.0010740500000000, 0.0010145100000000, 0.0002108600000000 ] - [ 0.0005211800000000, -0.0026886800000000, -0.0015309200000000 ] - [ 0.0004296300000000, -0.0019646500000000, -0.0012592200000000 ] - [ -0.0013198100000000, 0.0001684400000000, 0.0004165000000000 ] - [ -0.0013173400000000, 0.0001843000000000, 0.0004334900000000 ] - [ 0.0004240300000000, 0.0023560100000000, -0.0012980100000000 ] - [ 0.0004195200000000, 0.0024442700000000, -0.0014259400000000 ] - [ -0.0049169800000000, 0.0019132100000000, -0.0039427600000000 ] - [ -0.0053354900000000, 0.0011889500000000, -0.0037482100000000 ] - [ -0.0020222300000000, 0.0012151200000000, -0.0002541700000000 ] - [ -0.0009266100000000, 0.0001764800000000, -0.0005224300000000 ] - [ 0.0008236200000000, 0.0016993800000000, 0.0023098200000000 ] - [ 0.0010095800000000, 0.0011531500000000, 0.0024211800000000 ] - [ -0.0052690100000000, -0.0014155500000000, -0.0038570400000000 ] - [ -0.0052706500000000, -0.0014137100000000, -0.0038757300000000 ] - [ -0.0009211300000000, -0.0006249200000000, -0.0004693500000000 ] - [ -0.0009211900000000, -0.0006220700000000, -0.0004723300000000 ] - [ -0.0006617700000000, 0.0015411800000000, -0.0021272800000000 ] - [ -0.0006179500000000, 0.0014585200000000, -0.0021077900000000 ] - [ 0.0010102100000000, -0.0013278500000000, 0.0023367900000000 ] - [ 0.0010061700000000, -0.0013143300000000, 0.0023701400000000 ] - [ 0.0037210700000000, 0.0000821500000000, 0.0025129200000000 ] - [ 0.0036249100000000, 0.0003282500000000, 0.0033033700000000 ] - [ -0.0006505500000000, -0.0015042300000000, -0.0020517300000000 ] - [ -0.0006604000000000, -0.0015003500000000, -0.0021988800000000 ] - [ 0.0059247100000000, -0.0036077000000000, 0.0040313500000000 ] - [ 0.0011380500000000, -0.0009249200000000, 0.0018249300000000 ] - [ 0.0037107300000000, -0.0002896600000000, 0.0030649500000000 ] - [ 0.0037259200000000, -0.0003137000000000, 0.0030561500000000 ] - [ 0.0012638400000000, 0.0004808400000000, 0.0015671700000000 ] - [ 0.0012681100000000, 0.0004734600000000, 0.0015694800000000 ] - [ -0.0004833500000000, -0.0024417300000000, -0.0030911900000000 ] - [ -0.0019756200000000, -0.0028026700000000, -0.0017805400000000 ] - [ -0.0026206700000000, -0.0006691100000000, -0.0007150800000000 ] - [ -0.0024962600000000, -0.0010642500000000, -0.0012963800000000 ] - [ -0.0007623100000000, -0.0000874600000000, -0.0024148400000000 ] - [ -0.0007529500000000, -0.0001025600000000, -0.0024196000000000 ] - [ -0.0026150000000000, 0.0007604300000000, -0.0008439700000000 ] - [ -0.0025884100000000, 0.0007135400000000, -0.0008170500000000 ] - [ 0.0016257200000000, 0.0007956600000000, 0.0009087900000000 ] - [ 0.0017105600000000, 0.0006734900000000, 0.0008192400000000 ] - [ 0.0015656100000000, 0.0013904700000000, -0.0009219400000000 ] - [ 0.0014702700000000, -0.0002377900000000, 0.0000472200000000 ] - [ -0.0023661200000000, 0.0241277200000000, 0.0002836400000000 ] - [ 0.0014149200000000, -0.0008322300000000, -0.0001114300000000 ] - [ 0.0032050900000000, -0.0006831300000000, 0.0030914300000000 ] - [ 0.0031543800000000, -0.0014012600000000, 0.0030239300000000 ] - [ 0.0016638600000000, -0.0007411500000000, 0.0008047900000000 ] - [ 0.0016505000000000, -0.0007300600000000, 0.0008750700000000 ] - [ 0.0014011200000000, -0.0000162100000000, -0.0000369300000000 ] - [ 0.0013910100000000, -0.0000138400000000, -0.0000538700000000 ] - [ 0.0013510900000000, 0.0004620800000000, -0.0001005700000000 ] - [ 0.0013510600000000, 0.0004667600000000, -0.0001022400000000 ] - [ 0.0031335900000000, 0.0012278800000000, 0.0029518300000000 ] - [ 0.0031478000000000, 0.0012364900000000, 0.0029802500000000 ] - [ -0.0013552900000000, -0.0011963700000000, -0.0012565600000000 ] - [ -0.0014071600000000, -0.0013722600000000, -0.0011658700000000 ] - [ -0.0013610200000000, 0.0012894100000000, -0.0011344300000000 ] - [ -0.0013597400000000, 0.0012973300000000, -0.0012532700000000 ] - [ -0.0009207800000000, 0.0004285000000000, -0.0011199900000000 ] - [ -0.0011105800000000, 0.0004442600000000, -0.0005632700000000 ] - [ -0.0012792300000000, -0.0006597500000000, -0.0001580700000000 ] - [ -0.0001288500000000, -0.0022409900000000, -0.0015199900000000 ] - [ -0.0009243900000000, -0.0004828400000000, -0.0010321700000000 ] - [ -0.0009437500000000, -0.0005271000000000, -0.0010369400000000 ] - [ -0.0013910900000000, 0.0003029000000000, -0.0002977700000000 ] - [ -0.0013927100000000, 0.0002848400000000, -0.0002964200000000 ] - [ -0.0034160300000000, -0.0021889900000000, -0.0008655600000000 ] - [ -0.0021913500000000, -0.0015999900000000, -0.0005399300000000 ] - [ -0.0020840000000000, -0.0007329600000000, 0.0013393100000000 ] - [ -0.0018620300000000, -0.0008907300000000, 0.0009345200000000 ] - [ -0.0022904700000000, 0.0011924800000000, -0.0005229800000000 ] - [ -0.0022956800000000, 0.0011845300000000, -0.0005245700000000 ] - [ -0.0019719100000000, 0.0007722900000000, 0.0010528300000000 ] - [ -0.0019980700000000, 0.0007447100000000, 0.0010740700000000 ] - [ -0.0004625100000000, 0.0010596600000000, 0.0001898500000000 ] - [ -0.0005277300000000, 0.0009370400000000, 0.0001728800000000 ] - [ -0.0004933900000000, -0.0010045700000000, 0.0001279400000000 ] - [ -0.0004801600000000, -0.0010030500000000, 0.0002471000000000 ]- atom: 69 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0010193100000000, 0.0002688700000000, 0.0005413000000000 ] - [ 0.0006332100000000, -0.0007683000000000, 0.0007792500000000 ] - [ 0.0003520900000000, -0.0003560300000000, 0.0006238400000000 ] - [ 0.0024751200000000, 0.0036530000000000, 0.0045328800000000 ] - [ 0.0006683500000000, 0.0005624700000000, 0.0006000600000000 ] - [ 0.0006255200000000, 0.0003845600000000, 0.0005047700000000 ] - [ 0.0003598300000000, 0.0004880400000000, -0.0003128800000000 ] - [ 0.0003520800000000, 0.0004593400000000, -0.0002859100000000 ] - [ -0.0004065300000000, -0.0013275200000000, -0.0005170900000000 ] - [ -0.0006735500000000, -0.0007293300000000, -0.0002008100000000 ] - [ 0.0032949800000000, -0.0047330900000000, 0.0061060400000000 ] - [ -0.0003744700000000, -0.0010779800000000, 0.0015191300000000 ] - [ -0.0006453500000000, 0.0008440600000000, -0.0004181800000000 ] - [ -0.0006779000000000, 0.0010558600000000, -0.0005398700000000 ] - [ -0.0002343800000000, 0.0007677100000000, 0.0007627800000000 ] - [ -0.0002301700000000, 0.0007534700000000, 0.0007350400000000 ] - [ -0.0005914600000000, 0.0007873500000000, 0.0033329600000000 ] - [ 0.0035846900000000, 0.0017848200000000, -0.0001727100000000 ] - [ 0.0017957800000000, -0.0002267400000000, 0.0003979600000000 ] - [ 0.0022914600000000, 0.0002312500000000, 0.0007131600000000 ] - [ 0.0035402200000000, -0.0022118800000000, -0.0010647700000000 ] - [ 0.0035317000000000, -0.0021932000000000, -0.0010268400000000 ] - [ 0.0023273000000000, -0.0000851200000000, 0.0003736800000000 ] - [ 0.0023564900000000, -0.0001666400000000, 0.0004387200000000 ] - [ -0.0035411900000000, 0.0008831600000000, 0.0052988300000000 ] - [ -0.0012696500000000, -0.0000229300000000, 0.0011678900000000 ] - [ -0.0000457000000000, -0.0019314600000000, -0.0018936900000000 ] - [ 0.0004031400000000, -0.0026930700000000, -0.0015068000000000 ] - [ -0.0013083600000000, 0.0001912200000000, -0.0000197000000000 ] - [ -0.0013194700000000, 0.0001637100000000, 0.0000207800000000 ] - [ 0.0004042000000000, 0.0023117500000000, -0.0018395100000000 ] - [ 0.0004600300000000, 0.0024723500000000, -0.0017105400000000 ] - [ -0.0053160000000000, 0.0012857200000000, -0.0037983300000000 ] - [ -0.0052701800000000, 0.0014519300000000, -0.0039840000000000 ] - [ -0.0021041400000000, 0.0002856200000000, -0.0015477500000000 ] - [ -0.0008844900000000, 0.0006357900000000, -0.0007761300000000 ] - [ 0.0009931300000000, 0.0013445100000000, 0.0024959100000000 ] - [ 0.0009858000000000, 0.0013457100000000, 0.0022622400000000 ] - [ -0.0052634800000000, -0.0014072600000000, -0.0037122000000000 ] - [ -0.0052546000000000, -0.0013871500000000, -0.0037115700000000 ] - [ -0.0009297600000000, -0.0006447300000000, -0.0003362800000000 ] - [ -0.0009347200000000, -0.0006454500000000, -0.0003392500000000 ] - [ -0.0006274500000000, 0.0016027700000000, -0.0018694600000000 ] - [ -0.0006407500000000, 0.0015348600000000, -0.0020282900000000 ] - [ 0.0009995200000000, -0.0012724600000000, 0.0025116300000000 ] - [ 0.0010209800000000, -0.0013088800000000, 0.0024903000000000 ] - [ 0.0038017300000000, 0.0005631500000000, 0.0034218500000000 ] - [ 0.0037101700000000, 0.0001621900000000, 0.0028708500000000 ] - [ -0.0006509400000000, -0.0016505600000000, -0.0018653800000000 ] - [ -0.0006167700000000, -0.0015158000000000, -0.0019914500000000 ] - [ 0.0037220200000000, -0.0028215300000000, 0.0016347200000000 ] - [ 0.0013673200000000, 0.0000187000000000, 0.0009886100000000 ] - [ 0.0036981800000000, -0.0003853400000000, 0.0032738900000000 ] - [ 0.0036935600000000, -0.0003568100000000, 0.0032214600000000 ] - [ 0.0012826500000000, 0.0005156300000000, 0.0017305200000000 ] - [ 0.0012804200000000, 0.0005110800000000, 0.0017115100000000 ] - [ -0.0006825200000000, 0.0014577500000000, -0.0025196600000000 ] - [ -0.0013190100000000, -0.0009181900000000, -0.0025399900000000 ] - [ -0.0026486900000000, -0.0009470000000000, -0.0009439600000000 ] - [ -0.0025967100000000, -0.0004516800000000, -0.0005723800000000 ] - [ -0.0007573400000000, -0.0000697600000000, -0.0023111300000000 ] - [ -0.0007558700000000, -0.0000710000000000, -0.0023216600000000 ] - [ -0.0026039800000000, 0.0006758700000000, -0.0006697800000000 ] - [ -0.0026044900000000, 0.0006935400000000, -0.0007239900000000 ] - [ 0.0016821100000000, 0.0009102100000000, 0.0014039800000000 ] - [ 0.0016475100000000, 0.0007691700000000, 0.0009158300000000 ] - [ 0.0016585400000000, 0.0003494300000000, 0.0126621100000000 ] - [ 0.0013865400000000, 0.0000505900000000, -0.0001323400000000 ] - [ 0.0018912400000000, -0.0009143500000000, -0.0349099300000000 ] - [ 0.0014607700000000, -0.0004408200000000, -0.0004331500000000 ] - [ 0.0036535000000000, -0.0012571100000000, 0.0070708300000000 ] - [ 0.0031285800000000, -0.0011978300000000, 0.0028811900000000 ] - [ 0.0016604500000000, -0.0007324900000000, 0.0009790400000000 ] - [ 0.0016201700000000, -0.0008680700000000, 0.0010345600000000 ] - [ 0.0014392700000000, -0.0000037800000000, 0.0001051700000000 ] - [ 0.0014328500000000, 0.0000203000000000, 0.0001157300000000 ] - [ 0.0013072800000000, 0.0004531800000000, 0.0000332600000000 ] - [ 0.0013136700000000, 0.0004513800000000, 0.0000321600000000 ] - [ 0.0031971200000000, 0.0012550800000000, 0.0031220100000000 ] - [ 0.0031695800000000, 0.0012250100000000, 0.0031192500000000 ] - [ -0.0012740300000000, -0.0015448200000000, -0.0006634100000000 ] - [ -0.0013508400000000, -0.0012902700000000, -0.0011077400000000 ] - [ -0.0013426100000000, 0.0012785100000000, -0.0010583800000000 ] - [ -0.0013788600000000, 0.0014008800000000, -0.0009752800000000 ] - [ -0.0009474900000000, 0.0007016000000000, -0.0011298000000000 ] - [ -0.0009184600000000, 0.0003601900000000, -0.0010121000000000 ] - [ -0.0012624700000000, -0.0006419400000000, -0.0006219200000000 ] - [ -0.0024363300000000, 0.0017121000000000, 0.0001195300000000 ] - [ -0.0009678200000000, -0.0004522100000000, -0.0008574600000000 ] - [ -0.0009617800000000, -0.0004747900000000, -0.0008990100000000 ] - [ -0.0013879900000000, 0.0002844600000000, -0.0001285800000000 ] - [ -0.0013882300000000, 0.0002954200000000, -0.0001472800000000 ] - [ -0.0024502200000000, -0.0002714800000000, -0.0010148400000000 ] - [ -0.0021835000000000, -0.0015484000000000, -0.0008627600000000 ] - [ -0.0020622300000000, -0.0010029300000000, 0.0014071700000000 ] - [ -0.0020947900000000, -0.0005953200000000, 0.0010823400000000 ] - [ -0.0022758000000000, 0.0011766300000000, -0.0003945400000000 ] - [ -0.0022788100000000, 0.0011828200000000, -0.0004097700000000 ] - [ -0.0020226000000000, 0.0007957900000000, 0.0012269000000000 ] - [ -0.0020294100000000, 0.0007647400000000, 0.0011749300000000 ] - [ -0.0004645000000000, 0.0009879900000000, 0.0003589300000000 ] - [ -0.0004739800000000, 0.0010088000000000, 0.0002663000000000 ] - [ -0.0004860000000000, -0.0009310200000000, 0.0003702500000000 ] - [ -0.0004612900000000, -0.0010375600000000, 0.0002861900000000 ]- atom: 69 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0003001400000000, -0.0012461800000000, 0.0012158200000000 ] - [ 0.0006844300000000, -0.0002130400000000, 0.0009754700000000 ] - [ 0.0003407900000000, -0.0006139200000000, -0.0006517800000000 ] - [ -0.0018385800000000, -0.0047319100000000, -0.0046245400000000 ] - [ 0.0006489300000000, 0.0004185200000000, 0.0011533800000000 ] - [ 0.0006920500000000, 0.0005980500000000, 0.0012496100000000 ] - [ 0.0003333300000000, 0.0004834000000000, 0.0002888000000000 ] - [ 0.0003407000000000, 0.0005116000000000, 0.0002618200000000 ] - [ -0.0008911600000000, -0.0004804300000000, 0.0001301300000000 ] - [ -0.0006215500000000, -0.0010824900000000, -0.0001870000000000 ] - [ -0.0036957300000000, 0.0031199300000000, -0.0040385200000000 ] - [ -0.0000932900000000, -0.0004524600000000, 0.0005125900000000 ] - [ -0.0006499000000000, 0.0009664800000000, 0.0000320400000000 ] - [ -0.0006174600000000, 0.0007560000000000, 0.0001529600000000 ] - [ -0.0002334800000000, 0.0007646000000000, 0.0012705400000000 ] - [ -0.0002377700000000, 0.0007791300000000, 0.0012984200000000 ] - [ 0.0078079100000000, 0.0036673800000000, -0.0049129800000000 ] - [ 0.0035085500000000, 0.0026219300000000, -0.0013349400000000 ] - [ 0.0028774200000000, 0.0004509600000000, 0.0010164900000000 ] - [ 0.0023870900000000, -0.0000070700000000, 0.0006984100000000 ] - [ 0.0035532200000000, -0.0021930300000000, -0.0004393600000000 ] - [ 0.0035616700000000, -0.0022115100000000, -0.0004771400000000 ] - [ 0.0023506800000000, -0.0001408600000000, 0.0010373800000000 ] - [ 0.0023214100000000, -0.0000587800000000, 0.0009719800000000 ] - [ 0.0007647800000000, -0.0011569400000000, -0.0044265700000000 ] - [ -0.0013691900000000, -0.0003330300000000, -0.0003891500000000 ] - [ 0.0008993000000000, -0.0028641500000000, -0.0008997600000000 ] - [ 0.0004435200000000, -0.0020981100000000, -0.0012868000000000 ] - [ -0.0013289000000000, 0.0001600300000000, 0.0008017900000000 ] - [ -0.0013176200000000, 0.0001878200000000, 0.0007611400000000 ] - [ 0.0004432100000000, 0.0024793900000000, -0.0009522800000000 ] - [ 0.0003875900000000, 0.0023193400000000, -0.0010808700000000 ] - [ -0.0052205600000000, 0.0015405400000000, -0.0039129100000000 ] - [ -0.0052666200000000, 0.0013754800000000, -0.0037250600000000 ] - [ 0.0002731400000000, 0.0009680400000000, 0.0006274800000000 ] - [ -0.0009585900000000, 0.0006145000000000, -0.0001404700000000 ] - [ 0.0010272900000000, 0.0012928300000000, 0.0022339300000000 ] - [ 0.0010331400000000, 0.0012918200000000, 0.0024670800000000 ] - [ -0.0052734900000000, -0.0014204100000000, -0.0039971000000000 ] - [ -0.0052824800000000, -0.0014407100000000, -0.0039977600000000 ] - [ -0.0009136000000000, -0.0006060400000000, -0.0005817100000000 ] - [ -0.0009086300000000, -0.0006054200000000, -0.0005787100000000 ] - [ -0.0006584400000000, 0.0014108500000000, -0.0023391700000000 ] - [ -0.0006451800000000, 0.0014785500000000, -0.0021805800000000 ] - [ 0.0010194000000000, -0.0013655400000000, 0.0022166400000000 ] - [ 0.0009981100000000, -0.0013293600000000, 0.0022378200000000 ] - [ 0.0036306100000000, 0.0000439400000000, 0.0027204300000000 ] - [ 0.0037216700000000, 0.0004477300000000, 0.0032738900000000 ] - [ -0.0006347100000000, -0.0013627700000000, -0.0023432200000000 ] - [ -0.0006688200000000, -0.0014984700000000, -0.0022162300000000 ] - [ -0.0011961800000000, 0.0018705800000000, 0.0015409400000000 ] - [ 0.0011674000000000, -0.0009835100000000, 0.0021792000000000 ] - [ 0.0037334200000000, -0.0002247700000000, 0.0028715100000000 ] - [ 0.0037380600000000, -0.0002536100000000, 0.0029244700000000 ] - [ 0.0012519800000000, 0.0004467100000000, 0.0014330400000000 ] - [ 0.0012542100000000, 0.0004512200000000, 0.0014520200000000 ] - [ -0.0008346400000000, -0.0012735200000000, -0.0022962400000000 ] - [ -0.0001936500000000, 0.0011059100000000, -0.0022753000000000 ] - [ -0.0025577700000000, -0.0005218700000000, -0.0006951300000000 ] - [ -0.0026104700000000, -0.0010168300000000, -0.0010658200000000 ] - [ -0.0007593700000000, -0.0001148900000000, -0.0025056600000000 ] - [ -0.0007608900000000, -0.0001136200000000, -0.0024951300000000 ] - [ -0.0026032100000000, 0.0007938800000000, -0.0009709500000000 ] - [ -0.0026026400000000, 0.0007762500000000, -0.0009169600000000 ] - [ 0.0016438000000000, 0.0005732200000000, 0.0003086500000000 ] - [ 0.0016786400000000, 0.0007160400000000, 0.0008027000000000 ] - [ 0.0011366700000000, -0.0003051400000000, -0.0124196300000000 ] - [ 0.0014115900000000, -0.0000220700000000, 0.0000648100000000 ] - [ 0.0008102000000000, 0.0000542300000000, 0.0345190600000000 ] - [ 0.0012328500000000, -0.0004856000000000, 0.0002556400000000 ] - [ 0.0026247600000000, -0.0012086400000000, -0.0012199000000000 ] - [ 0.0031561300000000, -0.0012673200000000, 0.0030775700000000 ] - [ 0.0016659200000000, -0.0007526000000000, 0.0007386700000000 ] - [ 0.0017061300000000, -0.0006174800000000, 0.0006833100000000 ] - [ 0.0013587300000000, -0.0000245500000000, -0.0001729800000000 ] - [ 0.0013651900000000, -0.0000488800000000, -0.0001836200000000 ] - [ 0.0013869600000000, 0.0004727200000000, -0.0002116400000000 ] - [ 0.0013805000000000, 0.0004744300000000, -0.0002105100000000 ] - [ 0.0030875600000000, 0.0012097700000000, 0.0028358500000000 ] - [ 0.0031149500000000, 0.0012396600000000, 0.0028386200000000 ] - [ -0.0014620900000000, -0.0010541600000000, -0.0016801000000000 ] - [ -0.0013863700000000, -0.0013065400000000, -0.0012392800000000 ] - [ -0.0013946500000000, 0.0013186400000000, -0.0012878600000000 ] - [ -0.0013581600000000, 0.0011954800000000, -0.0013713000000000 ] - [ -0.0009248200000000, 0.0002990100000000, -0.0009168700000000 ] - [ -0.0009519000000000, 0.0006436700000000, -0.0010397300000000 ] - [ -0.0015206100000000, 0.0000539100000000, 0.0000558400000000 ] - [ -0.0003362200000000, -0.0023271700000000, -0.0006922700000000 ] - [ -0.0009041800000000, -0.0005487100000000, -0.0011887600000000 ] - [ -0.0009103200000000, -0.0005259500000000, -0.0011468700000000 ] - [ -0.0013949100000000, 0.0003034300000000, -0.0004390500000000 ] - [ -0.0013946500000000, 0.0002925500000000, -0.0004204400000000 ] - [ -0.0021427100000000, -0.0021059800000000, -0.0000164500000000 ] - [ -0.0024004600000000, -0.0008285500000000, -0.0001629500000000 ] - [ -0.0019107300000000, -0.0005211000000000, 0.0007438100000000 ] - [ -0.0018763900000000, -0.0009298900000000, 0.0010683700000000 ] - [ -0.0023075400000000, 0.0012013100000000, -0.0006323100000000 ] - [ -0.0023044800000000, 0.0011950400000000, -0.0006170500000000 ] - [ -0.0019491300000000, 0.0007286100000000, 0.0009233800000000 ] - [ -0.0019424400000000, 0.0007594400000000, 0.0009750800000000 ] - [ -0.0005166600000000, 0.0010114400000000, 0.0000384200000000 ] - [ -0.0005069800000000, 0.0009906600000000, 0.0001313500000000 ] - [ -0.0004950100000000, -0.0010686600000000, 0.0000265700000000 ] - [ -0.0005197500000000, -0.0009624100000000, 0.0001104500000000 ]- atom: 71 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0006692200000000, -0.0004452600000000, 0.0007577000000000 ] - [ 0.0006540700000000, -0.0005346900000000, 0.0007742500000000 ] - [ 0.0003693600000000, -0.0005134300000000, 0.0004340800000000 ] - [ 0.0030011700000000, 0.0024918300000000, -0.0021158500000000 ] - [ 0.0008017300000000, 0.0007139000000000, 0.0007094900000000 ] - [ 0.0006558500000000, 0.0001007300000000, 0.0007633000000000 ] - [ 0.0003493000000000, 0.0004673700000000, -0.0001197900000000 ] - [ 0.0003521800000000, 0.0004925500000000, -0.0001169400000000 ] - [ 0.0033253900000000, -0.0051179400000000, -0.0027341100000000 ] - [ -0.0002970800000000, -0.0007735700000000, -0.0000097300000000 ] - [ -0.0002472200000000, -0.0006821400000000, 0.0007230700000000 ] - [ -0.0002369400000000, -0.0008657600000000, 0.0010093700000000 ] - [ -0.0006492200000000, 0.0009057400000000, -0.0002911400000000 ] - [ -0.0006517500000000, 0.0009156300000000, -0.0002956600000000 ] - [ -0.0002510000000000, 0.0008037500000000, 0.0009186800000000 ] - [ -0.0002317900000000, 0.0007149400000000, 0.0009083200000000 ] - [ 0.0062687100000000, 0.0032295900000000, 0.0026837500000000 ] - [ 0.0033987000000000, 0.0025554500000000, -0.0005650900000000 ] - [ 0.0023262000000000, 0.0001118700000000, 0.0005487000000000 ] - [ 0.0023353100000000, 0.0001278500000000, 0.0006091700000000 ] - [ 0.0035400700000000, -0.0022027900000000, -0.0008735100000000 ] - [ 0.0035411600000000, -0.0021998800000000, -0.0008480500000000 ] - [ 0.0022713200000000, -0.0001405100000000, 0.0004638100000000 ] - [ 0.0022542400000000, -0.0000217500000000, 0.0007792800000000 ] - [ -0.0011438800000000, -0.0003798000000000, 0.0003078700000000 ] - [ -0.0013842500000000, -0.0001770100000000, 0.0004863600000000 ] - [ 0.0019505400000000, -0.0014425700000000, -0.0009586200000000 ] - [ 0.0001313900000000, -0.0023090100000000, -0.0011578400000000 ] - [ -0.0013000700000000, 0.0001723200000000, 0.0001956400000000 ] - [ -0.0012990000000000, 0.0001860300000000, 0.0002974400000000 ] - [ 0.0004228000000000, 0.0023927500000000, -0.0015551900000000 ] - [ 0.0004258800000000, 0.0024022400000000, -0.0015353400000000 ] - [ -0.0052675000000000, 0.0013975900000000, -0.0038063200000000 ] - [ -0.0052557600000000, 0.0014069500000000, -0.0038306900000000 ] - [ -0.0006639600000000, 0.0004407300000000, -0.0004439900000000 ] - [ -0.0008656000000000, 0.0006651000000000, -0.0005024000000000 ] - [ 0.0091639900000000, 0.0032638400000000, 0.0022304400000000 ] - [ 0.0010889500000000, 0.0012697400000000, 0.0022627200000000 ] - [ -0.0052650100000000, -0.0014133600000000, -0.0037507500000000 ] - [ -0.0052610200000000, -0.0013897500000000, -0.0038214100000000 ] - [ -0.0009241000000000, -0.0006377600000000, -0.0003977500000000 ] - [ -0.0009300700000000, -0.0006256300000000, -0.0004249400000000 ] - [ -0.0006350500000000, 0.0015344400000000, -0.0020297700000000 ] - [ -0.0006386600000000, 0.0015315100000000, -0.0020449400000000 ] - [ 0.0010071400000000, -0.0013067200000000, 0.0024207000000000 ] - [ 0.0010091400000000, -0.0013078600000000, 0.0024138600000000 ] - [ 0.0037421800000000, 0.0003563700000000, 0.0031750200000000 ] - [ 0.0037273100000000, 0.0003122200000000, 0.0031013800000000 ] - [ -0.0007380200000000, -0.0022721700000000, -0.0013043100000000 ] - [ -0.0006340900000000, -0.0014645500000000, -0.0021757200000000 ] - [ 0.0025917300000000, -0.0005926200000000, 0.0008358000000000 ] - [ 0.0015372400000000, -0.0001143900000000, 0.0014985100000000 ] - [ 0.0037025400000000, -0.0003066200000000, 0.0031711000000000 ] - [ 0.0037374800000000, -0.0003531100000000, 0.0031085500000000 ] - [ 0.0012712100000000, 0.0004969300000000, 0.0016398600000000 ] - [ 0.0012742700000000, 0.0004890200000000, 0.0016241600000000 ] - [ -0.0007624900000000, 0.0001823600000000, -0.0024187600000000 ] - [ -0.0008503000000000, 0.0000778800000000, -0.0025445700000000 ] - [ -0.0031261200000000, -0.0033217100000000, -0.0006464100000000 ] - [ -0.0024802500000000, -0.0003102300000000, -0.0005491600000000 ] - [ -0.0007667400000000, -0.0000681000000000, -0.0023642600000000 ] - [ -0.0007474500000000, -0.0001038500000000, -0.0023857900000000 ] - [ -0.0026011100000000, 0.0007136100000000, -0.0007716900000000 ] - [ -0.0026009200000000, 0.0007136600000000, -0.0007768900000000 ] - [ 0.0003983300000000, 0.0012116400000000, 0.0024660500000000 ] - [ 0.0016890500000000, 0.0006291200000000, 0.0008087800000000 ] - [ 0.0014307000000000, 0.0000010600000000, 0.0001332700000000 ] - [ 0.0014007800000000, 0.0000180300000000, -0.0000208200000000 ] - [ 0.0006241400000000, -0.0005246500000000, 0.0003825400000000 ] - [ 0.0013127500000000, -0.0004744700000000, -0.0001062400000000 ] - [ -0.0182609900000000, -0.0005464800000000, 0.0015925100000000 ] - [ 0.0029848500000000, -0.0012626300000000, 0.0027704000000000 ] - [ 0.0016570000000000, -0.0007576800000000, 0.0009157800000000 ] - [ 0.0016547000000000, -0.0007658100000000, 0.0009145500000000 ] - [ 0.0014156600000000, -0.0000202600000000, 0.0000300300000000 ] - [ 0.0013797300000000, 0.0000067000000000, -0.0000416700000000 ] - [ 0.0013299700000000, 0.0004537600000000, -0.0000373400000000 ] - [ 0.0013417900000000, 0.0004678100000000, -0.0000643900000000 ] - [ 0.0031618800000000, 0.0012362900000000, 0.0030345100000000 ] - [ 0.0031586400000000, 0.0012367700000000, 0.0030282900000000 ] - [ -0.0013630900000000, -0.0013260300000000, -0.0010965400000000 ] - [ -0.0013626000000000, -0.0013079700000000, -0.0011187100000000 ] - [ -0.0013773900000000, 0.0012106600000000, -0.0011984900000000 ] - [ -0.0016470400000000, 0.0010586800000000, -0.0018261900000000 ] - [ -0.0009533600000000, 0.0005196600000000, -0.0009818200000000 ] - [ -0.0009502900000000, 0.0004597400000000, -0.0009648100000000 ] - [ -0.0015073000000000, 0.0000345900000000, -0.0004718900000000 ] - [ -0.0008037000000000, -0.0020289100000000, 0.0006568100000000 ] - [ -0.0009304500000000, -0.0003874700000000, -0.0008926100000000 ] - [ -0.0009845700000000, -0.0005541000000000, -0.0009964900000000 ] - [ -0.0013900500000000, 0.0002983200000000, -0.0002274000000000 ] - [ -0.0013897300000000, 0.0002865100000000, -0.0002321700000000 ] - [ -0.0021881000000000, -0.0010747900000000, -0.0002739900000000 ] - [ -0.0021818900000000, -0.0012941300000000, -0.0004445900000000 ] - [ -0.0002731100000000, -0.0004489100000000, 0.0001645900000000 ] - [ -0.0017173900000000, -0.0010624700000000, 0.0010917700000000 ] - [ -0.0022791100000000, 0.0011897700000000, -0.0004584300000000 ] - [ -0.0022941800000000, 0.0011791000000000, -0.0004831700000000 ] - [ -0.0020055100000000, 0.0007668300000000, 0.0011254200000000 ] - [ -0.0020038800000000, 0.0007642800000000, 0.0011176100000000 ] - [ 0.0001868800000000, 0.0016145200000000, 0.0003596200000000 ] - [ -0.0004869400000000, 0.0009380000000000, 0.0001529100000000 ] - [ -0.0004842500000000, -0.0009893400000000, 0.0002594600000000 ] - [ -0.0004832800000000, -0.0009976600000000, 0.0002478800000000 ]- atom: 71 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0006471800000000, -0.0005371100000000, 0.0009958600000000 ] - [ 0.0006628800000000, -0.0004471200000000, 0.0009786400000000 ] - [ 0.0003229700000000, -0.0004586700000000, -0.0004584500000000 ] - [ -0.0023217100000000, -0.0035211500000000, 0.0021310100000000 ] - [ 0.0005136100000000, 0.0002660100000000, 0.0010445600000000 ] - [ 0.0006613100000000, 0.0008777500000000, 0.0009880000000000 ] - [ 0.0003433300000000, 0.0005032500000000, 0.0000944800000000 ] - [ 0.0003404100000000, 0.0004778600000000, 0.0000917800000000 ] - [ -0.0045473700000000, 0.0031997400000000, 0.0022659300000000 ] - [ -0.0009961800000000, -0.0010395900000000, -0.0003775200000000 ] - [ -0.0002183800000000, -0.0008530100000000, 0.0013097000000000 ] - [ -0.0002311400000000, -0.0006675500000000, 0.0010223500000000 ] - [ -0.0006459400000000, 0.0009049500000000, -0.0000960600000000 ] - [ -0.0006436000000000, 0.0008952900000000, -0.0000915500000000 ] - [ -0.0002171000000000, 0.0007284100000000, 0.0011141800000000 ] - [ -0.0002366200000000, 0.0008174100000000, 0.0011241100000000 ] - [ 0.0009700700000000, 0.0012399800000000, -0.0040628000000000 ] - [ 0.0036928500000000, 0.0018474100000000, -0.0009401800000000 ] - [ 0.0023530500000000, 0.0001139700000000, 0.0008610200000000 ] - [ 0.0023430900000000, 0.0000968300000000, 0.0008007800000000 ] - [ 0.0035525200000000, -0.0022003900000000, -0.0006317200000000 ] - [ 0.0035514600000000, -0.0022034200000000, -0.0006571500000000 ] - [ 0.0024084400000000, -0.0000835400000000, 0.0009483000000000 ] - [ 0.0024234400000000, -0.0002035100000000, 0.0006308900000000 ] - [ -0.0015003600000000, 0.0000325200000000, 0.0004713100000000 ] - [ -0.0012525000000000, -0.0001759800000000, 0.0002953400000000 ] - [ -0.0013082600000000, -0.0032751900000000, -0.0019941400000000 ] - [ 0.0007129400000000, -0.0024872900000000, -0.0016375300000000 ] - [ -0.0013363400000000, 0.0001802200000000, 0.0005853000000000 ] - [ -0.0013375900000000, 0.0001654300000000, 0.0004835300000000 ] - [ 0.0004250600000000, 0.0023992100000000, -0.0012372800000000 ] - [ 0.0004219200000000, 0.0023892800000000, -0.0012571800000000 ] - [ -0.0052709100000000, 0.0014280700000000, -0.0038999700000000 ] - [ -0.0052824900000000, 0.0014191200000000, -0.0038757100000000 ] - [ -0.0011766200000000, 0.0008065900000000, -0.0004759200000000 ] - [ -0.0009780000000000, 0.0005851900000000, -0.0004176100000000 ] - [ -0.0072981100000000, -0.0006709500000000, 0.0024890300000000 ] - [ 0.0009297300000000, 0.0013671800000000, 0.0024664500000000 ] - [ -0.0052733700000000, -0.0014129600000000, -0.0039565900000000 ] - [ -0.0052771200000000, -0.0014362400000000, -0.0038849600000000 ] - [ -0.0009200200000000, -0.0006118800000000, -0.0005222900000000 ] - [ -0.0009140800000000, -0.0006240300000000, -0.0004948300000000 ] - [ -0.0006511200000000, 0.0014774600000000, -0.0021807000000000 ] - [ -0.0006475800000000, 0.0014805400000000, -0.0021653800000000 ] - [ 0.0010106800000000, -0.0013301700000000, 0.0023086500000000 ] - [ 0.0010087100000000, -0.0013289700000000, 0.0023154400000000 ] - [ 0.0036893700000000, 0.0002557800000000, 0.0029742200000000 ] - [ 0.0037042300000000, 0.0003001200000000, 0.0030476100000000 ] - [ -0.0005457100000000, -0.0007320300000000, -0.0029152400000000 ] - [ -0.0006513600000000, -0.0015476500000000, -0.0020336900000000 ] - [ -0.0000597600000000, -0.0003581800000000, 0.0023385700000000 ] - [ 0.0009989400000000, -0.0008416700000000, 0.0016618100000000 ] - [ 0.0037292600000000, -0.0003064600000000, 0.0029784000000000 ] - [ 0.0036937300000000, -0.0002587800000000, 0.0030401100000000 ] - [ 0.0012637100000000, 0.0004644200000000, 0.0015214500000000 ] - [ 0.0012606300000000, 0.0004724200000000, 0.0015372400000000 ] - [ -0.0007523900000000, 0.0000032300000000, -0.0023979400000000 ] - [ -0.0006646000000000, 0.0001090000000000, -0.0022726300000000 ] - [ -0.0020661000000000, 0.0018413900000000, -0.0009921000000000 ] - [ -0.0027222800000000, -0.0011511200000000, -0.0010867400000000 ] - [ -0.0007484300000000, -0.0001180800000000, -0.0024529300000000 ] - [ -0.0007678400000000, -0.0000821400000000, -0.0024314800000000 ] - [ -0.0026045600000000, 0.0007544000000000, -0.0008687300000000 ] - [ -0.0026048500000000, 0.0007544100000000, -0.0008635500000000 ] - [ 0.0029416100000000, 0.0002787500000000, -0.0007161900000000 ] - [ 0.0016387900000000, 0.0008551300000000, 0.0009077800000000 ] - [ 0.0013700000000000, 0.0000254600000000, -0.0002025000000000 ] - [ 0.0013999300000000, 0.0000088500000000, -0.0000442300000000 ] - [ 0.0020711600000000, -0.0004022600000000, -0.0005880600000000 ] - [ 0.0013823300000000, -0.0004521200000000, -0.0000739800000000 ] - [ 0.0246540400000000, -0.0018480200000000, 0.0044345500000000 ] - [ 0.0033015300000000, -0.0012022300000000, 0.0031886300000000 ] - [ 0.0016714400000000, -0.0007260200000000, 0.0008000100000000 ] - [ 0.0016737200000000, -0.0007177000000000, 0.0008011100000000 ] - [ 0.0013847700000000, -0.0000068100000000, -0.0000956600000000 ] - [ 0.0014203800000000, -0.0000333200000000, -0.0000235200000000 ] - [ 0.0013656500000000, 0.0004729600000000, -0.0001431600000000 ] - [ 0.0013538100000000, 0.0004589400000000, -0.0001160400000000 ] - [ 0.0031250100000000, 0.0012291300000000, 0.0029246900000000 ] - [ 0.0031283300000000, 0.0012287100000000, 0.0029308600000000 ] - [ -0.0013732000000000, -0.0012717000000000, -0.0012514800000000 ] - [ -0.0013735300000000, -0.0012898800000000, -0.0012289500000000 ] - [ -0.0013588900000000, 0.0013871700000000, -0.0011492200000000 ] - [ -0.0010907200000000, 0.0015366000000000, -0.0005262500000000 ] - [ -0.0009179600000000, 0.0004820000000000, -0.0010619000000000 ] - [ -0.0009209200000000, 0.0005422500000000, -0.0010796500000000 ] - [ -0.0012771200000000, -0.0006204500000000, -0.0000958300000000 ] - [ -0.0019795800000000, 0.0014244700000000, -0.0012164700000000 ] - [ -0.0009412200000000, -0.0006147400000000, -0.0011513500000000 ] - [ -0.0008859800000000, -0.0004475100000000, -0.0010476100000000 ] - [ -0.0013932400000000, 0.0002895200000000, -0.0003406700000000 ] - [ -0.0013933800000000, 0.0003015600000000, -0.0003358000000000 ] - [ -0.0023963900000000, -0.0013019000000000, -0.0007482400000000 ] - [ -0.0024030700000000, -0.0010823600000000, -0.0005823000000000 ] - [ -0.0036860600000000, -0.0010644900000000, 0.0019831000000000 ] - [ -0.0022549400000000, -0.0004609600000000, 0.0010589000000000 ] - [ -0.0023061300000000, 0.0011867500000000, -0.0005687300000000 ] - [ -0.0022910100000000, 0.0011977000000000, -0.0005441500000000 ] - [ -0.0019682900000000, 0.0007558500000000, 0.0010250900000000 ] - [ -0.0019698100000000, 0.0007585200000000, 0.0010329200000000 ] - [ -0.0011736200000000, 0.0003805900000000, 0.0000357700000000 ] - [ -0.0004949300000000, 0.0010606400000000, 0.0002420600000000 ] - [ -0.0004982600000000, -0.0010087100000000, 0.0001346900000000 ] - [ -0.0004993600000000, -0.0010003200000000, 0.0001462700000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006537100000000, -0.0004263900000000, 0.0009271800000000 ] - [ 0.0006673100000000, -0.0005484300000000, 0.0008813800000000 ] - [ 0.0004438700000000, -0.0011530900000000, -0.0006265300000000 ] - [ 0.0030328500000000, 0.0049929500000000, -0.0041757400000000 ] - [ 0.0006080600000000, 0.0002662800000000, 0.0010637200000000 ] - [ 0.0005843200000000, 0.0007733300000000, 0.0007830700000000 ] - [ 0.0003471600000000, 0.0005031800000000, 0.0000089800000000 ] - [ 0.0003434000000000, 0.0004712000000000, 0.0000125700000000 ] - [ -0.0049276400000000, 0.0047495700000000, 0.0034975200000000 ] - [ -0.0011059700000000, -0.0016459700000000, 0.0000265700000000 ] - [ -0.0002102000000000, -0.0005263800000000, 0.0012766700000000 ] - [ -0.0002689400000000, -0.0009438300000000, 0.0008856500000000 ] - [ -0.0006451400000000, 0.0008914800000000, -0.0001744200000000 ] - [ -0.0006492800000000, 0.0009179600000000, -0.0001689500000000 ] - [ -0.0002204600000000, 0.0007316800000000, 0.0010549300000000 ] - [ -0.0002383600000000, 0.0008030700000000, 0.0010205500000000 ] - [ 0.0049587700000000, 0.0034950800000000, 0.0002275900000000 ] - [ 0.0034528800000000, 0.0015625300000000, -0.0007970100000000 ] - [ 0.0023449300000000, 0.0001506300000000, 0.0006666500000000 ] - [ 0.0023259500000000, 0.0000713000000000, 0.0007818600000000 ] - [ 0.0035487100000000, -0.0021980200000000, -0.0007211800000000 ] - [ 0.0035487800000000, -0.0022080400000000, -0.0007359800000000 ] - [ 0.0023787700000000, 0.0000475900000000, 0.0009005700000000 ] - [ 0.0024079800000000, -0.0002942000000000, 0.0005376600000000 ] - [ -0.0014177600000000, 0.0001407300000000, 0.0000594400000000 ] - [ -0.0012752700000000, -0.0005145700000000, 0.0006161500000000 ] - [ 0.0008169700000000, -0.0000154800000000, -0.0009549100000000 ] - [ 0.0001716700000000, -0.0035616000000000, -0.0018974300000000 ] - [ -0.0013169500000000, 0.0002098200000000, 0.0004664900000000 ] - [ -0.0013374700000000, 0.0001426000000000, 0.0003799700000000 ] - [ 0.0004230200000000, 0.0024050600000000, -0.0013734100000000 ] - [ 0.0004244400000000, 0.0023855400000000, -0.0013539600000000 ] - [ -0.0052875400000000, 0.0013664100000000, -0.0038529400000000 ] - [ -0.0052580800000000, 0.0014677400000000, -0.0038820400000000 ] - [ -0.0007223600000000, 0.0002518400000000, -0.0005229400000000 ] - [ -0.0009068200000000, 0.0008483700000000, -0.0004313300000000 ] - [ 0.0021978800000000, 0.0007054000000000, 0.0025287000000000 ] - [ 0.0009617900000000, 0.0017005300000000, 0.0023369700000000 ] - [ -0.0052731600000000, -0.0014184000000000, -0.0039189000000000 ] - [ -0.0052782900000000, -0.0014217800000000, -0.0038352600000000 ] - [ -0.0009213900000000, -0.0006216000000000, -0.0004845100000000 ] - [ -0.0009189500000000, -0.0006274900000000, -0.0004557600000000 ] - [ -0.0006384100000000, 0.0014925700000000, -0.0021161400000000 ] - [ -0.0006490000000000, 0.0015099800000000, -0.0021215200000000 ] - [ 0.0010103600000000, -0.0013205700000000, 0.0023526100000000 ] - [ 0.0010103500000000, -0.0013235000000000, 0.0023510900000000 ] - [ 0.0037187500000000, 0.0003145600000000, 0.0031171500000000 ] - [ 0.0037378000000000, 0.0002975600000000, 0.0029933500000000 ] - [ -0.0006327600000000, -0.0012816800000000, -0.0024491400000000 ] - [ -0.0006045900000000, -0.0015239000000000, -0.0019457100000000 ] - [ 0.0010330000000000, -0.0001122900000000, 0.0022976000000000 ] - [ 0.0015150900000000, 0.0002038100000000, 0.0014671500000000 ] - [ 0.0037530800000000, -0.0003452500000000, 0.0030555900000000 ] - [ 0.0036787200000000, -0.0002459400000000, 0.0030656400000000 ] - [ 0.0012680100000000, 0.0004731500000000, 0.0015655600000000 ] - [ 0.0012646100000000, 0.0004851800000000, 0.0015771300000000 ] - [ -0.0007193800000000, 0.0001024100000000, -0.0023151600000000 ] - [ -0.0007998700000000, 0.0002219900000000, -0.0026640800000000 ] - [ -0.0041811900000000, 0.0071641900000000, -0.0026741800000000 ] - [ -0.0017251300000000, 0.0012484900000000, -0.0000480900000000 ] - [ -0.0007462800000000, -0.0001154500000000, -0.0024242000000000 ] - [ -0.0007719400000000, -0.0000715700000000, -0.0024074600000000 ] - [ -0.0026008300000000, 0.0007338900000000, -0.0008276900000000 ] - [ -0.0026083700000000, 0.0007467100000000, -0.0008341100000000 ] - [ 0.0018520500000000, -0.0005038200000000, 0.0013047800000000 ] - [ 0.0015261100000000, 0.0010381200000000, 0.0009175500000000 ] - [ 0.0014285600000000, -0.0000174800000000, -0.0000135500000000 ] - [ 0.0013764400000000, 0.0000650900000000, -0.0000608000000000 ] - [ 0.0013344100000000, -0.0010117000000000, -0.0001204200000000 ] - [ 0.0013249700000000, -0.0002951400000000, -0.0000535000000000 ] - [ 0.0038037500000000, -0.0249151300000000, 0.0036816500000000 ] - [ 0.0031118100000000, -0.0008374500000000, 0.0029855000000000 ] - [ 0.0016639600000000, -0.0007380400000000, 0.0008529100000000 ] - [ 0.0016642800000000, -0.0007398200000000, 0.0008418800000000 ] - [ 0.0013805800000000, -0.0000179900000000, -0.0000821300000000 ] - [ 0.0014364600000000, -0.0000283800000000, 0.0000054400000000 ] - [ 0.0013530700000000, 0.0004674200000000, -0.0001100800000000 ] - [ 0.0013450000000000, 0.0004588900000000, -0.0000803200000000 ] - [ 0.0031381400000000, 0.0012325700000000, 0.0029671100000000 ] - [ 0.0031377400000000, 0.0012297800000000, 0.0029672500000000 ] - [ -0.0013763400000000, -0.0013123200000000, -0.0011810800000000 ] - [ -0.0013631800000000, -0.0012777800000000, -0.0011909600000000 ] - [ -0.0013737800000000, 0.0012972500000000, -0.0013204000000000 ] - [ -0.0011908500000000, 0.0015841100000000, -0.0005907300000000 ] - [ -0.0009422700000000, 0.0005191500000000, -0.0010005600000000 ] - [ -0.0009360400000000, 0.0004929500000000, -0.0010754300000000 ] - [ -0.0013955700000000, -0.0000344500000000, -0.0001233500000000 ] - [ -0.0022456900000000, 0.0008374300000000, -0.0013166400000000 ] - [ -0.0009763500000000, -0.0005862300000000, -0.0010473500000000 ] - [ -0.0008834700000000, -0.0004158900000000, -0.0010279000000000 ] - [ -0.0013920300000000, 0.0002859000000000, -0.0002947100000000 ] - [ -0.0013912600000000, 0.0003027700000000, -0.0002957700000000 ] - [ -0.0023162400000000, -0.0012451400000000, -0.0003197600000000 ] - [ -0.0023415800000000, -0.0010916100000000, -0.0006281400000000 ] - [ -0.0015599500000000, -0.0003899400000000, 0.0009578800000000 ] - [ -0.0021629200000000, -0.0003751800000000, 0.0009777600000000 ] - [ -0.0022997700000000, 0.0011763800000000, -0.0005273300000000 ] - [ -0.0022841600000000, 0.0012022200000000, -0.0005168100000000 ] - [ -0.0019841100000000, 0.0007578200000000, 0.0010651300000000 ] - [ -0.0019782200000000, 0.0007655100000000, 0.0010643300000000 ] - [ -0.0009548500000000, 0.0003299900000000, 0.0001483700000000 ] - [ -0.0003211900000000, 0.0012118400000000, 0.0002737100000000 ] - [ -0.0004895700000000, -0.0010008300000000, 0.0001976300000000 ] - [ -0.0004931400000000, -0.0010018800000000, 0.0001758000000000 ]- atom: 71 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006632300000000, -0.0005562800000000, 0.0008251500000000 ] - [ 0.0006497400000000, -0.0004329100000000, 0.0008708300000000 ] - [ 0.0002485100000000, 0.0001853400000000, 0.0005998200000000 ] - [ -0.0024384100000000, -0.0061026900000000, 0.0043024400000000 ] - [ 0.0007095600000000, 0.0007173400000000, 0.0006895400000000 ] - [ 0.0007321900000000, 0.0002030100000000, 0.0009680500000000 ] - [ 0.0003458600000000, 0.0004678400000000, -0.0000346500000000 ] - [ 0.0003496500000000, 0.0005000400000000, -0.0000381000000000 ] - [ 0.0037683500000000, -0.0066765900000000, -0.0040052100000000 ] - [ -0.0001914800000000, -0.0001602900000000, -0.0004131700000000 ] - [ -0.0002569000000000, -0.0010093400000000, 0.0007543900000000 ] - [ -0.0001986800000000, -0.0005877000000000, 0.0011462800000000 ] - [ -0.0006499900000000, 0.0009192000000000, -0.0002132000000000 ] - [ -0.0006459800000000, 0.0008927500000000, -0.0002188400000000 ] - [ -0.0002474800000000, 0.0008010400000000, 0.0009772300000000 ] - [ -0.0002294300000000, 0.0007288800000000, 0.0010111600000000 ] - [ 0.0021450700000000, 0.0008963500000000, -0.0017257500000000 ] - [ 0.0036408500000000, 0.0028439300000000, -0.0007083700000000 ] - [ 0.0023335900000000, 0.0000749000000000, 0.0007431800000000 ] - [ 0.0023523900000000, 0.0001541200000000, 0.0006270300000000 ] - [ 0.0035446800000000, -0.0022069700000000, -0.0007845200000000 ] - [ 0.0035446600000000, -0.0021970100000000, -0.0007695300000000 ] - [ 0.0022992500000000, -0.0002728900000000, 0.0005084500000000 ] - [ 0.0022702900000000, 0.0000683300000000, 0.0008737900000000 ] - [ -0.0012217000000000, -0.0004912900000000, 0.0007215100000000 ] - [ -0.0013620400000000, 0.0001645000000000, 0.0001625800000000 ] - [ 0.0000056600000000, -0.0047658200000000, -0.0018620200000000 ] - [ 0.0006791400000000, -0.0012300700000000, -0.0008917700000000 ] - [ -0.0013199900000000, 0.0001418600000000, 0.0003129900000000 ] - [ -0.0012998000000000, 0.0002082600000000, 0.0004006900000000 ] - [ 0.0004243700000000, 0.0023866000000000, -0.0014204400000000 ] - [ 0.0004228900000000, 0.0024059400000000, -0.0014400800000000 ] - [ -0.0052494000000000, 0.0014609900000000, -0.0038560500000000 ] - [ -0.0052789200000000, 0.0013591500000000, -0.0038264700000000 ] - [ -0.0011208800000000, 0.0009993100000000, -0.0003948800000000 ] - [ -0.0009366100000000, 0.0004012000000000, -0.0004866700000000 ] - [ -0.0001707200000000, 0.0019402400000000, 0.0022027000000000 ] - [ 0.0010559200000000, 0.0009368300000000, 0.0023917800000000 ] - [ -0.0052638800000000, -0.0014095100000000, -0.0037898500000000 ] - [ -0.0052585800000000, -0.0014055400000000, -0.0038737600000000 ] - [ -0.0009220300000000, -0.0006293300000000, -0.0004333400000000 ] - [ -0.0009245600000000, -0.0006232700000000, -0.0004622800000000 ] - [ -0.0006474200000000, 0.0015209700000000, -0.0020924400000000 ] - [ -0.0006367800000000, 0.0015035600000000, -0.0020868800000000 ] - [ 0.0010085500000000, -0.0013173900000000, 0.0023759800000000 ] - [ 0.0010085700000000, -0.0013143800000000, 0.0023774500000000 ] - [ 0.0037125700000000, 0.0002955900000000, 0.0030288400000000 ] - [ 0.0036935900000000, 0.0003130000000000, 0.0031533800000000 ] - [ -0.0006529600000000, -0.0017346600000000, -0.0017540900000000 ] - [ -0.0006809900000000, -0.0014884600000000, -0.0022645000000000 ] - [ 0.0014897400000000, -0.0008478800000000, 0.0008727700000000 ] - [ 0.0010197400000000, -0.0011688700000000, 0.0016956600000000 ] - [ 0.0036786700000000, -0.0002658600000000, 0.0030917700000000 ] - [ 0.0037529800000000, -0.0003647500000000, 0.0030801800000000 ] - [ 0.0012666600000000, 0.0004891000000000, 0.0015980400000000 ] - [ 0.0012700900000000, 0.0004770400000000, 0.0015863400000000 ] - [ -0.0007973700000000, 0.0000814600000000, -0.0025017500000000 ] - [ -0.0007156400000000, -0.0000381400000000, -0.0021510800000000 ] - [ -0.0010748700000000, -0.0084747100000000, 0.0009820500000000 ] - [ -0.0034944300000000, -0.0027536700000000, -0.0016046300000000 ] - [ -0.0007702900000000, -0.0000693600000000, -0.0023924900000000 ] - [ -0.0007444700000000, -0.0001134900000000, -0.0024095400000000 ] - [ -0.0026060100000000, 0.0007353000000000, -0.0008128100000000 ] - [ -0.0025984400000000, 0.0007224200000000, -0.0008063600000000 ] - [ 0.0014783600000000, 0.0019965000000000, 0.0004446600000000 ] - [ 0.0018011000000000, 0.0004461700000000, 0.0007988000000000 ] - [ 0.0013698600000000, 0.0000456400000000, -0.0000558800000000 ] - [ 0.0014222000000000, -0.0000374000000000, -0.0000062900000000 ] - [ 0.0013597700000000, 0.0000878100000000, -0.0000745700000000 ] - [ 0.0013693200000000, -0.0006318200000000, -0.0001248300000000 ] - [ 0.0024979800000000, 0.0226063600000000, 0.0022887800000000 ] - [ 0.0031737800000000, -0.0016284700000000, 0.0029726600000000 ] - [ 0.0016625700000000, -0.0007474700000000, 0.0008651600000000 ] - [ 0.0016622300000000, -0.0007455700000000, 0.0008761800000000 ] - [ 0.0014177900000000, -0.0000107100000000, 0.0000146500000000 ] - [ 0.0013615700000000, 0.0000004100000000, -0.0000728400000000 ] - [ 0.0013412300000000, 0.0004582800000000, -0.0000682500000000 ] - [ 0.0013493900000000, 0.0004669900000000, -0.0000981100000000 ] - [ 0.0031469300000000, 0.0012322500000000, 0.0029910900000000 ] - [ 0.0031474000000000, 0.0012351300000000, 0.0029909600000000 ] - [ -0.0013606900000000, -0.0012847600000000, -0.0011655200000000 ] - [ -0.0013738900000000, -0.0013196200000000, -0.0011553600000000 ] - [ -0.0013631000000000, 0.0012980300000000, -0.0010262600000000 ] - [ -0.0015477600000000, 0.0010127900000000, -0.0017570300000000 ] - [ -0.0009300000000000, 0.0004808400000000, -0.0010453300000000 ] - [ -0.0009362600000000, 0.0005075800000000, -0.0009703900000000 ] - [ -0.0013877500000000, -0.0005571600000000, -0.0004454100000000 ] - [ -0.0005237300000000, -0.0014469200000000, 0.0007652400000000 ] - [ -0.0008959100000000, -0.0004138900000000, -0.0009978700000000 ] - [ -0.0009888200000000, -0.0005855000000000, -0.0010184500000000 ] - [ -0.0013908500000000, 0.0003020900000000, -0.0002726200000000 ] - [ -0.0013914100000000, 0.0002852800000000, -0.0002715500000000 ] - [ -0.0022675200000000, -0.0011333000000000, -0.0007074600000000 ] - [ -0.0022414500000000, -0.0012868600000000, -0.0003976300000000 ] - [ -0.0024026400000000, -0.0011333200000000, 0.0011902400000000 ] - [ -0.0018096700000000, -0.0011482700000000, 0.0011725000000000 ] - [ -0.0022835000000000, 0.0012012600000000, -0.0004991400000000 ] - [ -0.0022993000000000, 0.0011754800000000, -0.0005100700000000 ] - [ -0.0019881300000000, 0.0007662200000000, 0.0010853400000000 ] - [ -0.0019940300000000, 0.0007585200000000, 0.0010861400000000 ] - [ -0.0000243200000000, 0.0016701200000000, 0.0002492700000000 ] - [ -0.0006612800000000, 0.0007866900000000, 0.0001216800000000 ] - [ -0.0004914300000000, -0.0009989100000000, 0.0001994800000000 ] - [ -0.0004879000000000, -0.0009977700000000, 0.0002214900000000 ]- atom: 71 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0007022800000000, -0.0003787900000000, 0.0004761700000000 ] - [ 0.0006517900000000, -0.0005706500000000, 0.0005748500000000 ] - [ 0.0002739100000000, -0.0007434200000000, 0.0009087700000000 ] - [ -0.0015042300000000, -0.0040617000000000, 0.0048615000000000 ] - [ 0.0007493800000000, 0.0007236900000000, 0.0007374900000000 ] - [ 0.0004664400000000, -0.0003124900000000, 0.0002270600000000 ] - [ 0.0003526300000000, 0.0004592700000000, -0.0003490700000000 ] - [ 0.0003590000000000, 0.0004830100000000, -0.0003224200000000 ] - [ -0.0039357400000000, 0.0030028200000000, 0.0049072600000000 ] - [ -0.0005310900000000, -0.0006585200000000, 0.0002825000000000 ] - [ -0.0004693100000000, -0.0003631300000000, 0.0006134400000000 ] - [ -0.0002323800000000, -0.0009289900000000, 0.0010279900000000 ] - [ -0.0006516400000000, 0.0009086000000000, -0.0004849600000000 ] - [ -0.0006578700000000, 0.0009386300000000, -0.0005134800000000 ] - [ -0.0002463100000000, 0.0008112500000000, 0.0007823200000000 ] - [ -0.0002204100000000, 0.0007036600000000, 0.0006552800000000 ] - [ 0.0058570400000000, 0.0028388700000000, 0.0027239100000000 ] - [ 0.0035937100000000, 0.0026090500000000, 0.0000048400000000 ] - [ 0.0022639200000000, 0.0000613200000000, 0.0002955200000000 ] - [ 0.0023305400000000, 0.0001796000000000, 0.0004191300000000 ] - [ 0.0035319900000000, -0.0021921600000000, -0.0011018300000000 ] - [ 0.0035379600000000, -0.0022084900000000, -0.0010660400000000 ] - [ 0.0023043800000000, 0.0001027900000000, 0.0003877100000000 ] - [ 0.0024514500000000, -0.0002739200000000, 0.0006004100000000 ] - [ -0.0008371400000000, -0.0006405000000000, -0.0001107900000000 ] - [ -0.0013253800000000, 0.0001175200000000, 0.0002575000000000 ] - [ 0.0010881000000000, -0.0020514800000000, 0.0019637400000000 ] - [ 0.0004402400000000, -0.0025475200000000, -0.0007860500000000 ] - [ -0.0012553800000000, 0.0003012500000000, -0.0001431600000000 ] - [ -0.0013457200000000, 0.0000963400000000, 0.0000252900000000 ] - [ 0.0004175100000000, 0.0023837400000000, -0.0018663100000000 ] - [ 0.0004277000000000, 0.0024165000000000, -0.0018355800000000 ] - [ -0.0052631000000000, 0.0013972900000000, -0.0036957800000000 ] - [ -0.0052590400000000, 0.0013949900000000, -0.0037835000000000 ] - [ -0.0009407700000000, 0.0006393100000000, -0.0003327700000000 ] - [ -0.0009287400000000, 0.0005057900000000, -0.0005228900000000 ] - [ 0.0014424600000000, 0.0014264400000000, 0.0008817000000000 ] - [ 0.0010345800000000, 0.0013574300000000, 0.0020030300000000 ] - [ -0.0052641000000000, -0.0014492900000000, -0.0037168100000000 ] - [ -0.0052132100000000, -0.0013274700000000, -0.0036930000000000 ] - [ -0.0009248500000000, -0.0006643200000000, -0.0003201300000000 ] - [ -0.0009426300000000, -0.0006329500000000, -0.0003320600000000 ] - [ -0.0006224700000000, 0.0016012100000000, -0.0018757500000000 ] - [ -0.0006262000000000, 0.0015791300000000, -0.0019180300000000 ] - [ 0.0010037800000000, -0.0012848300000000, 0.0025260800000000 ] - [ 0.0010091500000000, -0.0012855000000000, 0.0025218700000000 ] - [ 0.0037166900000000, 0.0004300500000000, 0.0032850900000000 ] - [ 0.0036755000000000, 0.0003096200000000, 0.0031998900000000 ] - [ -0.0007150000000000, -0.0020297900000000, -0.0016397200000000 ] - [ -0.0006286400000000, -0.0013013000000000, -0.0023721500000000 ] - [ 0.0014541300000000, 0.0004143200000000, 0.0018477100000000 ] - [ 0.0008860600000000, -0.0012692900000000, 0.0014761600000000 ] - [ 0.0037509300000000, -0.0005053100000000, 0.0034607500000000 ] - [ 0.0037004100000000, -0.0003225600000000, 0.0031476900000000 ] - [ 0.0012843200000000, 0.0005170000000000, 0.0017508700000000 ] - [ 0.0012826400000000, 0.0005191000000000, 0.0017254000000000 ] - [ -0.0006837000000000, 0.0002963800000000, -0.0024332300000000 ] - [ -0.0008237700000000, -0.0001606800000000, -0.0022700400000000 ] - [ -0.0022791000000000, -0.0033354700000000, -0.0015233300000000 ] - [ -0.0021592000000000, -0.0003617800000000, -0.0011371900000000 ] - [ -0.0007632600000000, -0.0000607800000000, -0.0022867300000000 ] - [ -0.0007517500000000, -0.0000722800000000, -0.0023280400000000 ] - [ -0.0025970900000000, 0.0006700400000000, -0.0006710000000000 ] - [ -0.0025975500000000, 0.0006742400000000, -0.0006857900000000 ] - [ 0.0023741400000000, 0.0025868500000000, 0.0101888100000000 ] - [ 0.0016905000000000, 0.0006819700000000, 0.0006998300000000 ] - [ 0.0014688100000000, -0.0000095600000000, 0.0005856800000000 ] - [ 0.0014221100000000, -0.0000080200000000, 0.0000297800000000 ] - [ 0.0010183800000000, -0.0005656600000000, 0.0040784700000000 ] - [ 0.0013939800000000, -0.0005075000000000, -0.0001871000000000 ] - [ 0.0024630900000000, -0.0004787300000000, -0.0254253600000000 ] - [ 0.0029390400000000, -0.0012245900000000, 0.0025453100000000 ] - [ 0.0016430600000000, -0.0007893200000000, 0.0010225800000000 ] - [ 0.0016347200000000, -0.0008177500000000, 0.0010381800000000 ] - [ 0.0014252700000000, -0.0000520500000000, 0.0000843000000000 ] - [ 0.0013939900000000, 0.0000997900000000, 0.0001724000000000 ] - [ 0.0012945900000000, 0.0004360600000000, 0.0000487800000000 ] - [ 0.0013170700000000, 0.0004638900000000, 0.0000477800000000 ] - [ 0.0031976700000000, 0.0012442700000000, 0.0031385900000000 ] - [ 0.0031915200000000, 0.0012441900000000, 0.0031394100000000 ] - [ -0.0013463100000000, -0.0013755400000000, -0.0009312300000000 ] - [ -0.0013566600000000, -0.0013378200000000, -0.0010026100000000 ] - [ -0.0013410000000000, 0.0011242000000000, -0.0013078600000000 ] - [ -0.0013586100000000, 0.0015828500000000, -0.0009275100000000 ] - [ -0.0009677200000000, 0.0005315400000000, -0.0009140900000000 ] - [ -0.0009458200000000, 0.0003970500000000, -0.0008385700000000 ] - [ -0.0014840000000000, 0.0000093400000000, -0.0006596300000000 ] - [ -0.0005716800000000, -0.0018671300000000, 0.0000297100000000 ] - [ -0.0010396400000000, -0.0004052600000000, -0.0007488000000000 ] - [ -0.0009690600000000, -0.0005115000000000, -0.0009627800000000 ] - [ -0.0013885800000000, 0.0002942700000000, -0.0001087100000000 ] - [ -0.0013866600000000, 0.0002852800000000, -0.0001294900000000 ] - [ -0.0023468700000000, -0.0010438000000000, -0.0003150400000000 ] - [ -0.0022067200000000, -0.0013384000000000, -0.0004786800000000 ] - [ -0.0015755400000000, -0.0011675900000000, 0.0002827400000000 ] - [ -0.0020409800000000, -0.0004145100000000, 0.0006217500000000 ] - [ -0.0022587100000000, 0.0011561100000000, -0.0003478100000000 ] - [ -0.0022799500000000, 0.0011971600000000, -0.0004132900000000 ] - [ -0.0020414600000000, 0.0007775700000000, 0.0012245900000000 ] - [ -0.0020405800000000, 0.0007714800000000, 0.0012094700000000 ] - [ -0.0003322600000000, 0.0011146300000000, 0.0002800500000000 ] - [ -0.0004975800000000, 0.0010087900000000, 0.0000454700000000 ] - [ -0.0004701800000000, -0.0009714900000000, 0.0003797000000000 ] - [ -0.0004652500000000, -0.0009959300000000, 0.0003639300000000 ]- atom: 71 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0006152900000000, -0.0006016000000000, 0.0012758100000000 ] - [ 0.0006652000000000, -0.0004113000000000, 0.0011776300000000 ] - [ 0.0004184300000000, -0.0002282600000000, -0.0009304600000000 ] - [ 0.0021340600000000, 0.0029700400000000, -0.0048034500000000 ] - [ 0.0005672700000000, 0.0002578800000000, 0.0010129800000000 ] - [ 0.0008501700000000, 0.0012997200000000, 0.0015248300000000 ] - [ 0.0003404600000000, 0.0005122400000000, 0.0003233900000000 ] - [ 0.0003340000000000, 0.0004881800000000, 0.0002967200000000 ] - [ 0.0027162600000000, -0.0049165500000000, -0.0053495800000000 ] - [ -0.0007625600000000, -0.0011502900000000, -0.0006693700000000 ] - [ -0.0000009300000000, -0.0011660100000000, 0.0014194400000000 ] - [ -0.0002353800000000, -0.0006038600000000, 0.0010049100000000 ] - [ -0.0006434300000000, 0.0009021500000000, 0.0000974000000000 ] - [ -0.0006374300000000, 0.0008727800000000, 0.0001256000000000 ] - [ -0.0002213900000000, 0.0007211100000000, 0.0012489700000000 ] - [ -0.0002473300000000, 0.0008292700000000, 0.0013766500000000 ] - [ 0.0013195200000000, 0.0016025100000000, -0.0041702500000000 ] - [ 0.0035008900000000, 0.0017958900000000, -0.0015074200000000 ] - [ 0.0024133800000000, 0.0001638500000000, 0.0011135000000000 ] - [ 0.0023475800000000, 0.0000461800000000, 0.0009905600000000 ] - [ 0.0035614500000000, -0.0022125300000000, -0.0004037500000000 ] - [ 0.0035554500000000, -0.0021960100000000, -0.0004396500000000 ] - [ 0.0023738000000000, -0.0003291400000000, 0.0010195700000000 ] - [ 0.0022272800000000, 0.0000485800000000, 0.0008073900000000 ] - [ -0.0017943400000000, 0.0002868300000000, 0.0008915700000000 ] - [ -0.0013121800000000, -0.0004691300000000, 0.0005233100000000 ] - [ -0.0003629600000000, -0.0026853200000000, -0.0048451400000000 ] - [ 0.0004041800000000, -0.0022472800000000, -0.0020089100000000 ] - [ -0.0013822200000000, 0.0000495800000000, 0.0009237400000000 ] - [ -0.0012912300000000, 0.0002559600000000, 0.0007543400000000 ] - [ 0.0004299700000000, 0.0024081600000000, -0.0009275400000000 ] - [ 0.0004199400000000, 0.0023756100000000, -0.0009581600000000 ] - [ -0.0052739700000000, 0.0014302300000000, -0.0040135400000000 ] - [ -0.0052778600000000, 0.0014327600000000, -0.0039259100000000 ] - [ -0.0009009000000000, 0.0006108400000000, -0.0005869100000000 ] - [ -0.0009144600000000, 0.0007444400000000, -0.0003957900000000 ] - [ 0.0005966900000000, 0.0012184600000000, 0.0038500100000000 ] - [ 0.0009843300000000, 0.0012805600000000, 0.0027244300000000 ] - [ -0.0052729500000000, -0.0013778200000000, -0.0039918500000000 ] - [ -0.0053242600000000, -0.0015003800000000, -0.0040161900000000 ] - [ -0.0009185700000000, -0.0005861700000000, -0.0005977900000000 ] - [ -0.0009007000000000, -0.0006177500000000, -0.0005858600000000 ] - [ -0.0006632100000000, 0.0014128000000000, -0.0023325300000000 ] - [ -0.0006595200000000, 0.0014347900000000, -0.0022904800000000 ] - [ 0.0010152100000000, -0.0013527900000000, 0.0022024800000000 ] - [ 0.0010098800000000, -0.0013522200000000, 0.0022065800000000 ] - [ 0.0037148100000000, 0.0001808300000000, 0.0028609000000000 ] - [ 0.0037563900000000, 0.0003008000000000, 0.0029457900000000 ] - [ -0.0005700700000000, -0.0009852800000000, -0.0025695500000000 ] - [ -0.0006568500000000, -0.0017133400000000, -0.0018346000000000 ] - [ 0.0010759900000000, -0.0013642700000000, 0.0013234200000000 ] - [ 0.0016461200000000, 0.0003021000000000, 0.0016866200000000 ] - [ 0.0036802100000000, -0.0001039200000000, 0.0026839900000000 ] - [ 0.0037310800000000, -0.0002881000000000, 0.0029991700000000 ] - [ 0.0012504600000000, 0.0004456500000000, 0.0014126300000000 ] - [ 0.0012521600000000, 0.0004435400000000, 0.0014382200000000 ] - [ -0.0008324300000000, -0.0001112100000000, -0.0023841400000000 ] - [ -0.0006928000000000, 0.0003466900000000, -0.0025490000000000 ] - [ -0.0029302500000000, 0.0018530500000000, -0.0001052500000000 ] - [ -0.0030434800000000, -0.0011016100000000, -0.0005020800000000 ] - [ -0.0007531800000000, -0.0001236300000000, -0.0025301300000000 ] - [ -0.0007647600000000, -0.0001121000000000, -0.0024887000000000 ] - [ -0.0026097400000000, 0.0007995900000000, -0.0009696100000000 ] - [ -0.0026093100000000, 0.0007954100000000, -0.0009548900000000 ] - [ 0.0009316700000000, -0.0011368000000000, -0.0086896400000000 ] - [ 0.0016360900000000, 0.0008033200000000, 0.0010187400000000 ] - [ 0.0013301000000000, 0.0000378100000000, -0.0006476500000000 ] - [ 0.0013762500000000, 0.0000364900000000, -0.0000977800000000 ] - [ 0.0016735200000000, -0.0003636500000000, -0.0041507100000000 ] - [ 0.0013003300000000, -0.0004184900000000, 0.0000079600000000 ] - [ 0.0038460800000000, -0.0018246200000000, 0.0314724900000000 ] - [ 0.0033453600000000, -0.0012398700000000, 0.0034114700000000 ] - [ 0.0016835300000000, -0.0006957800000000, 0.0006953500000000 ] - [ 0.0016917500000000, -0.0006675700000000, 0.0006798800000000 ] - [ 0.0013733600000000, 0.0000243100000000, -0.0001514300000000 ] - [ 0.0014050200000000, -0.0001285800000000, -0.0002401200000000 ] - [ 0.0013997700000000, 0.0004901500000000, -0.0002271400000000 ] - [ 0.0013770900000000, 0.0004621200000000, -0.0002260500000000 ] - [ 0.0030874800000000, 0.0012209400000000, 0.0028195700000000 ] - [ 0.0030936300000000, 0.0012209600000000, 0.0028187600000000 ] - [ -0.0013906000000000, -0.0012216100000000, -0.0014146600000000 ] - [ -0.0013803600000000, -0.0012589900000000, -0.0013439400000000 ] - [ -0.0013961100000000, 0.0014725400000000, -0.0010370000000000 ] - [ -0.0013767900000000, 0.0010175000000000, -0.0014137500000000 ] - [ -0.0009045500000000, 0.0004695400000000, -0.0011320900000000 ] - [ -0.0009262700000000, 0.0006032700000000, -0.0012074700000000 ] - [ -0.0012990900000000, -0.0005970000000000, 0.0000906800000000 ] - [ -0.0022056300000000, 0.0012648800000000, -0.0005965300000000 ] - [ -0.0008317500000000, -0.0005952000000000, -0.0012971200000000 ] - [ -0.0009031000000000, -0.0004888300000000, -0.0010824000000000 ] - [ -0.0013942500000000, 0.0002939300000000, -0.0004587500000000 ] - [ -0.0013961700000000, 0.0003030000000000, -0.0004379200000000 ] - [ -0.0022381500000000, -0.0013346000000000, -0.0007127800000000 ] - [ -0.0023763300000000, -0.0010397500000000, -0.0005484200000000 ] - [ -0.0024001400000000, -0.0003567500000000, 0.0018707000000000 ] - [ -0.0019302900000000, -0.0011097600000000, 0.0015288900000000 ] - [ -0.0023247000000000, 0.0012221000000000, -0.0006792300000000 ] - [ -0.0023032500000000, 0.0011807200000000, -0.0006133700000000 ] - [ -0.0019306500000000, 0.0007468700000000, 0.0009257700000000 ] - [ -0.0019315400000000, 0.0007529400000000, 0.0009408500000000 ] - [ -0.0006490000000000, 0.0008839400000000, 0.0001179700000000 ] - [ -0.0004830300000000, 0.0009908800000000, 0.0003521800000000 ] - [ -0.0005107900000000, -0.0010278700000000, 0.0000174600000000 ] - [ -0.0005157400000000, -0.0010036300000000, 0.0000331300000000 ]- atom: 81 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0071345500000000, 0.0040250600000000, 0.0058716800000000 ] - [ 0.0007459600000000, -0.0007753100000000, 0.0008155500000000 ] - [ 0.0003572700000000, -0.0005203600000000, -0.0000069100000000 ] - [ 0.0003276400000000, -0.0004662300000000, -0.0000652200000000 ] - [ 0.0006575700000000, 0.0004863800000000, 0.0008473700000000 ] - [ 0.0006577800000000, 0.0004971600000000, 0.0008476600000000 ] - [ 0.0003696700000000, 0.0004263300000000, 0.0000900100000000 ] - [ 0.0003148100000000, 0.0004324200000000, -0.0000324800000000 ] - [ -0.0006453600000000, -0.0009011400000000, -0.0002247500000000 ] - [ -0.0006484800000000, -0.0009135500000000, -0.0002101800000000 ] - [ -0.0001927200000000, -0.0007552400000000, 0.0009538300000000 ] - [ -0.0002914400000000, -0.0009049900000000, 0.0011703500000000 ] - [ -0.0005036900000000, 0.0006982900000000, -0.0002349100000000 ] - [ 0.0005563700000000, -0.0004205600000000, 0.0024216200000000 ] - [ -0.0002312300000000, 0.0007522800000000, 0.0009889100000000 ] - [ -0.0002343700000000, 0.0007821600000000, 0.0009896400000000 ] - [ 0.0035742300000000, 0.0022368700000000, -0.0007424200000000 ] - [ 0.0035385800000000, 0.0021765400000000, -0.0008055500000000 ] - [ 0.0072901000000000, 0.0054039200000000, -0.0053650000000000 ] - [ 0.0021874600000000, -0.0000233800000000, 0.0008835200000000 ] - [ 0.0036429000000000, -0.0022439600000000, -0.0009414800000000 ] - [ 0.0035579400000000, -0.0022073100000000, -0.0007443400000000 ] - [ 0.0023397100000000, -0.0001117700000000, 0.0006740900000000 ] - [ 0.0023391600000000, -0.0001166700000000, 0.0006786500000000 ] - [ -0.0014897700000000, 0.0000875400000000, 0.0005527800000000 ] - [ -0.0011945400000000, -0.0003909400000000, 0.0000510800000000 ] - [ 0.0004175900000000, -0.0023853200000000, -0.0014290700000000 ] - [ 0.0004265100000000, -0.0024069300000000, -0.0014363400000000 ] - [ -0.0013119400000000, 0.0001865200000000, 0.0003414000000000 ] - [ -0.0013197400000000, 0.0001649200000000, 0.0003699800000000 ] - [ -0.0000064600000000, 0.0024841800000000, -0.0015266300000000 ] - [ -0.0001621300000000, 0.0021806900000000, -0.0010397500000000 ] - [ -0.0048179000000000, 0.0009733500000000, -0.0037340800000000 ] - [ -0.0052134600000000, 0.0016103500000000, -0.0038661500000000 ] - [ -0.0009413800000000, 0.0005964800000000, -0.0004719100000000 ] - [ -0.0009022300000000, 0.0006654900000000, -0.0004459100000000 ] - [ 0.0010110200000000, 0.0013090000000000, 0.0023772100000000 ] - [ 0.0010071200000000, 0.0013239100000000, 0.0023754800000000 ] - [ -0.0052685300000000, -0.0014110700000000, -0.0038355800000000 ] - [ -0.0052677100000000, -0.0014137000000000, -0.0038444300000000 ] - [ -0.0009163400000000, -0.0006291700000000, -0.0004384400000000 ] - [ -0.0009117300000000, -0.0006240600000000, -0.0004600300000000 ] - [ 0.0041920200000000, 0.0011612300000000, -0.0019885400000000 ] - [ -0.0005316200000000, 0.0015800800000000, -0.0020959500000000 ] - [ 0.0010098800000000, -0.0012253000000000, 0.0024311500000000 ] - [ 0.0009870700000000, -0.0013298200000000, 0.0023278000000000 ] - [ 0.0043445200000000, 0.0004665500000000, 0.0027981800000000 ] - [ 0.0040388200000000, 0.0012517600000000, 0.0036994900000000 ] - [ -0.0006407800000000, -0.0015141200000000, -0.0020878000000000 ] - [ -0.0006409000000000, -0.0015129800000000, -0.0020865300000000 ] - [ 0.0012735100000000, -0.0004909900000000, 0.0015634500000000 ] - [ 0.0012747400000000, -0.0004837400000000, 0.0016198000000000 ] - [ 0.0037160200000000, -0.0003147800000000, 0.0030930900000000 ] - [ 0.0037122800000000, -0.0003082200000000, 0.0030861000000000 ] - [ 0.0013057800000000, 0.0004582100000000, 0.0016071200000000 ] - [ 0.0012587100000000, 0.0004879000000000, 0.0015891800000000 ] - [ -0.0007371100000000, 0.0001009700000000, -0.0024778700000000 ] - [ -0.0007831100000000, 0.0000816700000000, -0.0023716200000000 ] - [ -0.0026018200000000, -0.0007324700000000, -0.0008139400000000 ] - [ -0.0026031600000000, -0.0007269100000000, -0.0008031900000000 ] - [ -0.0007532400000000, -0.0001097300000000, -0.0024018000000000 ] - [ -0.0007611900000000, -0.0000808500000000, -0.0023993500000000 ] - [ -0.0017816800000000, 0.0007504500000000, -0.0021665800000000 ] - [ -0.0026317800000000, 0.0007880700000000, -0.0008871900000000 ] - [ 0.0016635700000000, 0.0007451700000000, 0.0008736200000000 ] - [ 0.0016595900000000, 0.0007489300000000, 0.0008736600000000 ] - [ 0.0012340400000000, -0.0003294900000000, 0.0005587900000000 ] - [ 0.0013392000000000, 0.0001222900000000, -0.0000753500000000 ] - [ 0.0013596700000000, -0.0004766300000000, 0.0000035100000000 ] - [ 0.0013182400000000, -0.0004246600000000, -0.0000739100000000 ] - [ 0.0031481900000000, -0.0012403500000000, 0.0030011700000000 ] - [ 0.0031486500000000, -0.0012271000000000, 0.0029908100000000 ] - [ 0.0020501700000000, -0.0014456700000000, 0.0007310000000000 ] - [ 0.0021497700000000, 0.0002829000000000, 0.0000376100000000 ] - [ 0.0014043600000000, -0.0000112900000000, -0.0000168300000000 ] - [ 0.0014024200000000, -0.0000133900000000, -0.0000258900000000 ] - [ 0.0013301300000000, 0.0004704400000000, -0.0000652000000000 ] - [ 0.0013375000000000, 0.0004718800000000, -0.0001014700000000 ] - [ 0.0031344500000000, 0.0012375600000000, 0.0030067300000000 ] - [ 0.0028666900000000, 0.0010548700000000, 0.0029783700000000 ] - [ -0.0212303500000000, -0.0097869100000000, -0.0025865500000000 ] - [ -0.0013470400000000, -0.0011689800000000, -0.0012007500000000 ] - [ -0.0013669200000000, 0.0013029800000000, -0.0011582800000000 ] - [ -0.0013665900000000, 0.0013019300000000, -0.0011565200000000 ] - [ -0.0012016900000000, 0.0009732200000000, -0.0012034700000000 ] - [ -0.0014106900000000, 0.0000156800000000, -0.0013676600000000 ] - [ -0.0013881700000000, -0.0002809400000000, -0.0002944000000000 ] - [ -0.0013963900000000, -0.0003028500000000, -0.0002544200000000 ] - [ -0.0009383900000000, -0.0004999100000000, -0.0010099600000000 ] - [ -0.0009370400000000, -0.0004945800000000, -0.0010089100000000 ] - [ -0.0014223200000000, 0.0002677600000000, -0.0002381600000000 ] - [ -0.0013938500000000, 0.0003190800000000, -0.0002790400000000 ] - [ -0.0022665500000000, -0.0012534300000000, -0.0005939900000000 ] - [ -0.0022529800000000, -0.0011604500000000, -0.0004514600000000 ] - [ -0.0019882500000000, -0.0007638800000000, 0.0010808600000000 ] - [ -0.0019929200000000, -0.0007612900000000, 0.0010922600000000 ] - [ -0.0022832900000000, 0.0011832100000000, -0.0004978100000000 ] - [ -0.0022902100000000, 0.0011942300000000, -0.0005084500000000 ] - [ -0.0012325100000000, 0.0011005100000000, 0.0020849200000000 ] - [ -0.0019091700000000, 0.0008265200000000, 0.0010534900000000 ] - [ -0.0004898700000000, 0.0009962100000000, 0.0002120100000000 ] - [ -0.0004880000000000, 0.0010003600000000, 0.0002118000000000 ] - [ -0.0003547500000000, -0.0009503100000000, 0.0004559100000000 ] - [ -0.0002284400000000, -0.0011988000000000, 0.0002877400000000 ]- atom: 81 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ -0.0059762900000000, -0.0051471700000000, -0.0042929500000000 ] - [ 0.0005718000000000, -0.0002063100000000, 0.0009345200000000 ] - [ 0.0003356000000000, -0.0004505500000000, -0.0000172500000000 ] - [ 0.0003651600000000, -0.0005046300000000, 0.0000411700000000 ] - [ 0.0006596300000000, 0.0004951400000000, 0.0009060200000000 ] - [ 0.0006593600000000, 0.0004844000000000, 0.0009058900000000 ] - [ 0.0003228700000000, 0.0005453600000000, -0.0001133300000000 ] - [ 0.0003776300000000, 0.0005381100000000, 0.0000079600000000 ] - [ -0.0006493800000000, -0.0009097300000000, -0.0001622500000000 ] - [ -0.0006463100000000, -0.0008972500000000, -0.0001767800000000 ] - [ -0.0002736800000000, -0.0007750300000000, 0.0010782800000000 ] - [ -0.0001758200000000, -0.0006273100000000, 0.0008635000000000 ] - [ -0.0007901200000000, 0.0011126400000000, -0.0001542500000000 ] - [ -0.0018755000000000, 0.0022511000000000, -0.0028354200000000 ] - [ -0.0002361700000000, 0.0007794600000000, 0.0010447200000000 ] - [ -0.0002331200000000, 0.0007497300000000, 0.0010446000000000 ] - [ 0.0035192400000000, 0.0021669200000000, -0.0007616300000000 ] - [ 0.0035547000000000, 0.0022271000000000, -0.0006989700000000 ] - [ -0.0025418300000000, -0.0050634200000000, 0.0066411300000000 ] - [ 0.0024927000000000, 0.0002473400000000, 0.0005238600000000 ] - [ 0.0034509400000000, -0.0021588200000000, -0.0005631000000000 ] - [ 0.0035355100000000, -0.0021974300000000, -0.0007598200000000 ] - [ 0.0023387700000000, -0.0001137300000000, 0.0007365900000000 ] - [ 0.0023393900000000, -0.0001089500000000, 0.0007320900000000 ] - [ -0.0011483000000000, -0.0004414600000000, 0.0002296800000000 ] - [ -0.0014422000000000, 0.0000384900000000, 0.0007327000000000 ] - [ 0.0004305400000000, -0.0024070800000000, -0.0013620600000000 ] - [ 0.0004216700000000, -0.0023855000000000, -0.0013547800000000 ] - [ -0.0013242600000000, 0.0001671000000000, 0.0004403900000000 ] - [ -0.0013165500000000, 0.0001880100000000, 0.0004123100000000 ] - [ 0.0008503400000000, 0.0023050500000000, -0.0012756200000000 ] - [ 0.0010109600000000, 0.0026085400000000, -0.0017551300000000 ] - [ -0.0057217300000000, 0.0018542100000000, -0.0039732800000000 ] - [ -0.0053247900000000, 0.0012156700000000, -0.0038409600000000 ] - [ -0.0009021300000000, 0.0006535100000000, -0.0004481200000000 ] - [ -0.0009411900000000, 0.0005846600000000, -0.0004738100000000 ] - [ 0.0010071500000000, 0.0013286300000000, 0.0023515100000000 ] - [ 0.0010110500000000, 0.0013137700000000, 0.0023532700000000 ] - [ -0.0052693600000000, -0.0014159300000000, -0.0038720200000000 ] - [ -0.0052702200000000, -0.0014133100000000, -0.0038633100000000 ] - [ -0.0009272600000000, -0.0006211100000000, -0.0004810600000000 ] - [ -0.0009318900000000, -0.0006260700000000, -0.0004597300000000 ] - [ -0.0054986800000000, 0.0018717700000000, -0.0022175000000000 ] - [ -0.0007545500000000, 0.0014338200000000, -0.0021119700000000 ] - [ 0.0010079500000000, -0.0014119300000000, 0.0022987500000000 ] - [ 0.0010284600000000, -0.0013064700000000, 0.0024003800000000 ] - [ 0.0030862300000000, 0.0001441700000000, 0.0033514100000000 ] - [ 0.0033890100000000, -0.0006474800000000, 0.0024449600000000 ] - [ -0.0006452700000000, -0.0014983800000000, -0.0021221500000000 ] - [ -0.0006450800000000, -0.0014996100000000, -0.0021233100000000 ] - [ 0.0012614800000000, -0.0004702200000000, 0.0015980900000000 ] - [ 0.0012597300000000, -0.0004776300000000, 0.0015417700000000 ] - [ 0.0037153600000000, -0.0002968000000000, 0.0030543400000000 ] - [ 0.0037190400000000, -0.0003032500000000, 0.0030613800000000 ] - [ 0.0012292300000000, 0.0005028400000000, 0.0015549600000000 ] - [ 0.0012761500000000, 0.0004736200000000, 0.0015725700000000 ] - [ -0.0007781500000000, 0.0000845200000000, -0.0023397300000000 ] - [ -0.0007318600000000, 0.0001037300000000, -0.0024460000000000 ] - [ -0.0026038300000000, -0.0007363800000000, -0.0008261400000000 ] - [ -0.0026025400000000, -0.0007419300000000, -0.0008369000000000 ] - [ -0.0007618600000000, -0.0000758400000000, -0.0024161200000000 ] - [ -0.0007542200000000, -0.0001043400000000, -0.0024185000000000 ] - [ -0.0034292100000000, 0.0007144600000000, 0.0005457400000000 ] - [ -0.0025741500000000, 0.0006810700000000, -0.0007526100000000 ] - [ 0.0016640800000000, 0.0007385200000000, 0.0008429900000000 ] - [ 0.0016680500000000, 0.0007347800000000, 0.0008429700000000 ] - [ 0.0015685900000000, 0.0003552700000000, -0.0006244500000000 ] - [ 0.0014611500000000, -0.0000952500000000, 0.0000099500000000 ] - [ 0.0013356100000000, -0.0004505200000000, -0.0001838000000000 ] - [ 0.0013770300000000, -0.0005025400000000, -0.0001064900000000 ] - [ 0.0031380900000000, -0.0012254300000000, 0.0029574700000000 ] - [ 0.0031375900000000, -0.0012387000000000, 0.0029677600000000 ] - [ 0.0012797300000000, -0.0000311700000000, 0.0009868000000000 ] - [ 0.0011782200000000, -0.0017725100000000, 0.0016824700000000 ] - [ 0.0013953400000000, -0.0000155900000000, -0.0000494400000000 ] - [ 0.0013972100000000, -0.0000135200000000, -0.0000404600000000 ] - [ 0.0013651300000000, 0.0004565400000000, -0.0001149800000000 ] - [ 0.0013579100000000, 0.0004551400000000, -0.0000789300000000 ] - [ 0.0031525100000000, 0.0012281900000000, 0.0029528600000000 ] - [ 0.0034218100000000, 0.0014118800000000, 0.0029805800000000 ] - [ 0.0186069400000000, 0.0071812300000000, 0.0005271500000000 ] - [ -0.0013887800000000, -0.0014286200000000, -0.0011451100000000 ] - [ -0.0013692800000000, 0.0012944700000000, -0.0011889000000000 ] - [ -0.0013696400000000, 0.0012955500000000, -0.0011906900000000 ] - [ -0.0006719900000000, 0.0000305000000000, -0.0008407400000000 ] - [ -0.0004631700000000, 0.0009901900000000, -0.0006696100000000 ] - [ -0.0013948000000000, -0.0003069200000000, -0.0002738400000000 ] - [ -0.0013865700000000, -0.0002850900000000, -0.0003137800000000 ] - [ -0.0009326500000000, -0.0005019300000000, -0.0010350100000000 ] - [ -0.0009339900000000, -0.0005071700000000, -0.0010359300000000 ] - [ -0.0013605100000000, 0.0003196400000000, -0.0003316800000000 ] - [ -0.0013890800000000, 0.0002690500000000, -0.0002888900000000 ] - [ -0.0023171500000000, -0.0011231100000000, -0.0004343200000000 ] - [ -0.0023313400000000, -0.0012161300000000, -0.0005759200000000 ] - [ -0.0019848400000000, -0.0007591200000000, 0.0010695400000000 ] - [ -0.0019801700000000, -0.0007616700000000, 0.0010582100000000 ] - [ -0.0023007100000000, 0.0011934300000000, -0.0005299800000000 ] - [ -0.0022935300000000, 0.0011827200000000, -0.0005193900000000 ] - [ -0.0027376400000000, 0.0004234500000000, 0.0000798400000000 ] - [ -0.0020639900000000, 0.0006973100000000, 0.0010973700000000 ] - [ -0.0004922800000000, 0.0010024500000000, 0.0001829300000000 ] - [ -0.0004941700000000, 0.0009983500000000, 0.0001831700000000 ] - [ -0.0006253800000000, -0.0010467200000000, -0.0000586400000000 ] - [ -0.0007534600000000, -0.0008008600000000, 0.0001109700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0058054700000000, 0.0047804300000000, 0.0043468500000000 ] - [ 0.0008007100000000, -0.0014348300000000, 0.0007890400000000 ] - [ 0.0003625800000000, -0.0006124900000000, 0.0001281200000000 ] - [ 0.0003460600000000, -0.0003422000000000, 0.0000498300000000 ] - [ 0.0006599300000000, 0.0004647000000000, 0.0009825400000000 ] - [ 0.0006603400000000, 0.0005097300000000, 0.0009975600000000 ] - [ 0.0003237500000000, 0.0007807400000000, 0.0002361500000000 ] - [ 0.0003198700000000, 0.0002685600000000, -0.0000570700000000 ] - [ -0.0006461200000000, -0.0008676000000000, -0.0001036100000000 ] - [ -0.0006479000000000, -0.0009298900000000, -0.0000910100000000 ] - [ -0.0002413500000000, -0.0001443700000000, 0.0007178300000000 ] - [ -0.0003166200000000, -0.0011122400000000, 0.0012582700000000 ] - [ -0.0006822900000000, 0.0001940100000000, -0.0007001700000000 ] - [ -0.0018617200000000, 0.0082508200000000, -0.0085898800000000 ] - [ -0.0002285900000000, 0.0007220100000000, 0.0010660400000000 ] - [ -0.0002401000000000, 0.0008018100000000, 0.0011853900000000 ] - [ 0.0035392700000000, 0.0022279100000000, -0.0005397500000000 ] - [ 0.0035250300000000, 0.0021667200000000, -0.0007649400000000 ] - [ 0.0061808300000000, 0.0038341600000000, -0.0044834600000000 ] - [ 0.0023131700000000, -0.0005946200000000, 0.0004187200000000 ] - [ 0.0035794700000000, -0.0020643800000000, -0.0009372200000000 ] - [ 0.0036178600000000, -0.0024140800000000, -0.0004586200000000 ] - [ 0.0023408700000000, -0.0000953900000000, 0.0008113000000000 ] - [ 0.0023396600000000, -0.0001191000000000, 0.0008246400000000 ] - [ -0.0010800300000000, -0.0000477100000000, 0.0010106800000000 ] - [ -0.0011848600000000, -0.0004394100000000, 0.0000956100000000 ] - [ 0.0004256200000000, -0.0023865600000000, -0.0012275600000000 ] - [ 0.0004313700000000, -0.0024056600000000, -0.0012720000000000 ] - [ -0.0013062100000000, 0.0002451700000000, 0.0004508900000000 ] - [ -0.0013253400000000, 0.0001111900000000, 0.0005905500000000 ] - [ 0.0004069400000000, 0.0032680900000000, -0.0027761500000000 ] - [ -0.0001190200000000, 0.0012537900000000, -0.0008093300000000 ] - [ -0.0048636300000000, 0.0007991200000000, -0.0038315000000000 ] - [ -0.0052594800000000, 0.0016414700000000, -0.0038359000000000 ] - [ -0.0009782600000000, 0.0005347600000000, -0.0005396700000000 ] - [ -0.0008981000000000, 0.0007055600000000, -0.0004450600000000 ] - [ 0.0010126100000000, 0.0013127400000000, 0.0023078600000000 ] - [ 0.0010072900000000, 0.0013457400000000, 0.0023219200000000 ] - [ -0.0052742000000000, -0.0014204500000000, -0.0038854200000000 ] - [ -0.0052718100000000, -0.0014186700000000, -0.0039243500000000 ] - [ -0.0009173400000000, -0.0006296100000000, -0.0004501700000000 ] - [ -0.0009191300000000, -0.0006042500000000, -0.0005454000000000 ] - [ -0.0003106500000000, 0.0010704900000000, -0.0018726900000000 ] - [ -0.0006573000000000, 0.0021379900000000, -0.0017193800000000 ] - [ 0.0009657500000000, -0.0012815900000000, 0.0025675000000000 ] - [ 0.0006297000000000, -0.0011895500000000, 0.0020980400000000 ] - [ 0.0046633000000000, 0.0007187700000000, 0.0026788800000000 ] - [ 0.0037681800000000, 0.0007682300000000, 0.0035296400000000 ] - [ -0.0006480600000000, -0.0014791900000000, -0.0021747100000000 ] - [ -0.0006499100000000, -0.0014796700000000, -0.0021689000000000 ] - [ 0.0012792400000000, -0.0004532500000000, 0.0014603200000000 ] - [ 0.0012498900000000, -0.0004846300000000, 0.0016172700000000 ] - [ 0.0037290100000000, -0.0002983700000000, 0.0030204800000000 ] - [ 0.0037195600000000, -0.0002701000000000, 0.0030033900000000 ] - [ 0.0013116600000000, 0.0003942500000000, 0.0015870400000000 ] - [ 0.0012330200000000, 0.0005608200000000, 0.0015076500000000 ] - [ -0.0006821300000000, 0.0002357900000000, -0.0025816300000000 ] - [ -0.0007836300000000, 0.0000009400000000, -0.0023229800000000 ] - [ -0.0025988700000000, -0.0007469500000000, -0.0008702600000000 ] - [ -0.0026117300000000, -0.0007619400000000, -0.0008591400000000 ] - [ -0.0007202900000000, -0.0001616400000000, -0.0024560700000000 ] - [ -0.0007849900000000, -0.0000474300000000, -0.0024288000000000 ] - [ -0.0020788600000000, -0.0000681800000000, -0.0007031700000000 ] - [ -0.0028092000000000, 0.0011768400000000, -0.0008800400000000 ] - [ 0.0016752000000000, 0.0007140200000000, 0.0007922700000000 ] - [ 0.0016672700000000, 0.0007306700000000, 0.0008117200000000 ] - [ 0.0007842400000000, -0.0004112400000000, -0.0009303100000000 ] - [ 0.0013958900000000, 0.0002338500000000, -0.0000446100000000 ] - [ 0.0014516900000000, -0.0005655700000000, -0.0003306100000000 ] - [ 0.0013158200000000, -0.0003902800000000, -0.0000817700000000 ] - [ 0.0031155000000000, -0.0012467400000000, 0.0029016600000000 ] - [ 0.0031335700000000, -0.0012120900000000, 0.0029397900000000 ] - [ 0.0004213100000000, 0.0013355500000000, 0.0017136200000000 ] - [ 0.0028220600000000, 0.0007777200000000, 0.0000923200000000 ] - [ 0.0013898000000000, -0.0000203400000000, -0.0000614200000000 ] - [ 0.0013822800000000, -0.0000215100000000, -0.0001092500000000 ] - [ 0.0013343900000000, 0.0004718900000000, -0.0000692100000000 ] - [ 0.0013812700000000, 0.0004644400000000, -0.0001904000000000 ] - [ 0.0032312600000000, 0.0012318600000000, 0.0031569200000000 ] - [ 0.0033821900000000, 0.0015186400000000, 0.0027043400000000 ] - [ -0.0098590100000000, -0.0223287300000000, 0.0077356400000000 ] - [ -0.0012385600000000, -0.0009560900000000, -0.0011380000000000 ] - [ -0.0013729500000000, 0.0012874500000000, -0.0012335200000000 ] - [ -0.0013719600000000, 0.0012774400000000, -0.0012374800000000 ] - [ -0.0011788800000000, 0.0011772400000000, -0.0012601700000000 ] - [ -0.0014979900000000, 0.0018551100000000, 0.0011624800000000 ] - [ -0.0013896100000000, -0.0002405800000000, -0.0003661000000000 ] - [ -0.0013913100000000, -0.0003537700000000, -0.0002954500000000 ] - [ -0.0009284800000000, -0.0005298000000000, -0.0010840600000000 ] - [ -0.0009257200000000, -0.0004997800000000, -0.0010662900000000 ] - [ -0.0014031300000000, 0.0000930500000000, -0.0005343900000000 ] - [ -0.0013766400000000, 0.0004214300000000, -0.0002829300000000 ] - [ -0.0023231600000000, -0.0012143700000000, -0.0006779100000000 ] - [ -0.0023222500000000, -0.0011226000000000, -0.0003746700000000 ] - [ -0.0019650700000000, -0.0007521000000000, 0.0010117400000000 ] - [ -0.0019725200000000, -0.0007638200000000, 0.0010493400000000 ] - [ -0.0023172800000000, 0.0011485600000000, -0.0005400000000000 ] - [ -0.0022835600000000, 0.0012220500000000, -0.0005715900000000 ] - [ -0.0018876000000000, 0.0004768800000000, 0.0017349500000000 ] - [ -0.0017624300000000, 0.0010748800000000, 0.0010444900000000 ] - [ -0.0005015600000000, 0.0009989900000000, 0.0001393200000000 ] - [ -0.0004950300000000, 0.0010092500000000, 0.0001450400000000 ] - [ -0.0002622500000000, -0.0008153900000000, 0.0007951100000000 ] - [ -0.0008070600000000, -0.0005535100000000, 0.0001953800000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0045922200000000, -0.0057945200000000, -0.0026797400000000 ] - [ 0.0005157300000000, 0.0004514400000000, 0.0009658100000000 ] - [ 0.0003300500000000, -0.0003583200000000, -0.0001531500000000 ] - [ 0.0003464600000000, -0.0006284000000000, -0.0000752400000000 ] - [ 0.0006569000000000, 0.0005168600000000, 0.0007695500000000 ] - [ 0.0006564300000000, 0.0004717300000000, 0.0007546300000000 ] - [ 0.0003691400000000, 0.0001884400000000, -0.0002607600000000 ] - [ 0.0003724200000000, 0.0007021900000000, 0.0000317100000000 ] - [ -0.0006486700000000, -0.0009431500000000, -0.0002841400000000 ] - [ -0.0006469300000000, -0.0008807700000000, -0.0002965800000000 ] - [ -0.0002256100000000, -0.0013871300000000, 0.0013124700000000 ] - [ -0.0001510300000000, -0.0004203400000000, 0.0007753800000000 ] - [ -0.0006133400000000, 0.0016164700000000, 0.0003110800000000 ] - [ 0.0006026300000000, -0.0065445100000000, 0.0084249700000000 ] - [ -0.0002389500000000, 0.0008096900000000, 0.0009666600000000 ] - [ -0.0002274300000000, 0.0007298700000000, 0.0008470800000000 ] - [ 0.0035540100000000, 0.0021758500000000, -0.0009651300000000 ] - [ 0.0035680900000000, 0.0022365400000000, -0.0007403900000000 ] - [ -0.0013996600000000, -0.0035581400000000, 0.0057748600000000 ] - [ 0.0023655900000000, 0.0008164700000000, 0.0009930100000000 ] - [ 0.0035132700000000, -0.0023391300000000, -0.0005671500000000 ] - [ 0.0034752800000000, -0.0019895400000000, -0.0010472200000000 ] - [ 0.0023374200000000, -0.0001299100000000, 0.0005982100000000 ] - [ 0.0023387900000000, -0.0001065700000000, 0.0005847000000000 ] - [ -0.0015584900000000, -0.0003032900000000, -0.0002288300000000 ] - [ -0.0014509700000000, 0.0000848800000000, 0.0006839700000000 ] - [ 0.0004224500000000, -0.0024057600000000, -0.0015652200000000 ] - [ 0.0004167300000000, -0.0023868000000000, -0.0015208000000000 ] - [ -0.0013300500000000, 0.0001078100000000, 0.0003302900000000 ] - [ -0.0013109800000000, 0.0002416000000000, 0.0001901800000000 ] - [ 0.0004409900000000, 0.0015362100000000, -0.0000143800000000 ] - [ 0.0009698100000000, 0.0035363500000000, -0.0019839900000000 ] - [ -0.0056739100000000, 0.0020262000000000, -0.0038767700000000 ] - [ -0.0052781100000000, 0.0011867600000000, -0.0038723000000000 ] - [ -0.0008652600000000, 0.0007152100000000, -0.0003793100000000 ] - [ -0.0009452000000000, 0.0005448800000000, -0.0004741100000000 ] - [ 0.0010057000000000, 0.0013248900000000, 0.0024209100000000 ] - [ 0.0010109900000000, 0.0012920200000000, 0.0024068000000000 ] - [ -0.0052634500000000, -0.0014069600000000, -0.0038225300000000 ] - [ -0.0052658900000000, -0.0014087300000000, -0.0037835800000000 ] - [ -0.0009262800000000, -0.0006211200000000, -0.0004687300000000 ] - [ -0.0009244000000000, -0.0006463300000000, -0.0003734900000000 ] - [ -0.0009713700000000, 0.0019323100000000, -0.0023384600000000 ] - [ -0.0006295500000000, 0.0008745900000000, -0.0024903600000000 ] - [ 0.0010531100000000, -0.0013574000000000, 0.0021613800000000 ] - [ 0.0013897400000000, -0.0014483900000000, 0.0026306200000000 ] - [ 0.0027719400000000, -0.0001058200000000, 0.0034666200000000 ] - [ 0.0036651400000000, -0.0001520600000000, 0.0026210200000000 ] - [ -0.0006377900000000, -0.0015343700000000, -0.0020338700000000 ] - [ -0.0006358600000000, -0.0015339500000000, -0.0020395200000000 ] - [ 0.0012555700000000, -0.0005086500000000, 0.0017018100000000 ] - [ 0.0012846700000000, -0.0004773000000000, 0.0015450800000000 ] - [ 0.0037023800000000, -0.0003130200000000, 0.0031265000000000 ] - [ 0.0037117900000000, -0.0003413600000000, 0.0031437500000000 ] - [ 0.0012231300000000, 0.0005670800000000, 0.0015746900000000 ] - [ 0.0013018500000000, 0.0004006600000000, 0.0016547900000000 ] - [ -0.0008336100000000, -0.0000511000000000, -0.0022359500000000 ] - [ -0.0007320200000000, 0.0001838900000000, -0.0024937200000000 ] - [ -0.0026073900000000, -0.0007223700000000, -0.0007697000000000 ] - [ -0.0025945800000000, -0.0007072800000000, -0.0007807400000000 ] - [ -0.0007957200000000, -0.0000233100000000, -0.0023612600000000 ] - [ -0.0007308900000000, -0.0001376500000000, -0.0023885300000000 ] - [ -0.0031235800000000, 0.0015376800000000, -0.0009422300000000 ] - [ -0.0023971900000000, 0.0002921100000000, -0.0007597700000000 ] - [ 0.0016518700000000, 0.0007701000000000, 0.0009251300000000 ] - [ 0.0016597900000000, 0.0007534400000000, 0.0009057000000000 ] - [ 0.0020169200000000, 0.0004339400000000, 0.0008653900000000 ] - [ 0.0014033000000000, -0.0002057100000000, -0.0000221900000000 ] - [ 0.0012430100000000, -0.0003611400000000, 0.0001511400000000 ] - [ 0.0013786600000000, -0.0005362900000000, -0.0000978600000000 ] - [ 0.0031704900000000, -0.0012187400000000, 0.0030571100000000 ] - [ 0.0031523700000000, -0.0012533400000000, 0.0030188600000000 ] - [ 0.0028744200000000, -0.0027686300000000, 0.0000179100000000 ] - [ 0.0004892500000000, -0.0022884800000000, 0.0016348500000000 ] - [ 0.0014093800000000, -0.0000072000000000, -0.0000051100000000 ] - [ 0.0014169000000000, -0.0000060400000000, 0.0000428000000000 ] - [ 0.0013604500000000, 0.0004543200000000, -0.0001103200000000 ] - [ 0.0013133400000000, 0.0004619600000000, 0.0000109100000000 ] - [ 0.0030550600000000, 0.0012325800000000, 0.0028015500000000 ] - [ 0.0029051500000000, 0.0009472900000000, 0.0032528300000000 ] - [ 0.0070952700000000, 0.0198305300000000, -0.0100939800000000 ] - [ -0.0014975700000000, -0.0016400200000000, -0.0012090000000000 ] - [ -0.0013636000000000, 0.0013093300000000, -0.0011127500000000 ] - [ -0.0013646200000000, 0.0013193900000000, -0.0011087600000000 ] - [ -0.0006925100000000, -0.0001775900000000, -0.0007851500000000 ] - [ -0.0003693900000000, -0.0008693600000000, -0.0032354200000000 ] - [ -0.0013933200000000, -0.0003477100000000, -0.0002017100000000 ] - [ -0.0013917200000000, -0.0002345900000000, -0.0002720600000000 ] - [ -0.0009430400000000, -0.0004712200000000, -0.0009612200000000 ] - [ -0.0009458000000000, -0.0005013000000000, -0.0009789700000000 ] - [ -0.0013800100000000, 0.0004957200000000, -0.0000322400000000 ] - [ -0.0014062800000000, 0.0001664200000000, -0.0002846500000000 ] - [ -0.0022604400000000, -0.0011633900000000, -0.0003499000000000 ] - [ -0.0022612700000000, -0.0012545800000000, -0.0006522200000000 ] - [ -0.0020078900000000, -0.0007713300000000, 0.0011388800000000 ] - [ -0.0020004600000000, -0.0007595300000000, 0.0011013800000000 ] - [ -0.0022663200000000, 0.0012286000000000, -0.0004872900000000 ] - [ -0.0023001100000000, 0.0011550200000000, -0.0004556200000000 ] - [ -0.0020856200000000, 0.0010436800000000, 0.0004133500000000 ] - [ -0.0022112500000000, 0.0004481200000000, 0.0011060100000000 ] - [ -0.0004802100000000, 0.0009998400000000, 0.0002567000000000 ] - [ -0.0004867600000000, 0.0009896200000000, 0.0002509700000000 ] - [ -0.0007165600000000, -0.0011823600000000, -0.0003978300000000 ] - [ -0.0001727000000000, -0.0014485700000000, 0.0002018700000000 ]- atom: 81 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0061586700000000, 0.0024355000000000, 0.0072884500000000 ] - [ 0.0005737700000000, -0.0000574400000000, 0.0019413400000000 ] - [ 0.0003523300000000, -0.0003661700000000, -0.0003783500000000 ] - [ 0.0003312900000000, -0.0006035900000000, -0.0004328900000000 ] - [ 0.0006506300000000, 0.0005069900000000, 0.0004505400000000 ] - [ 0.0006517300000000, 0.0005052400000000, 0.0004269000000000 ] - [ 0.0003402200000000, 0.0005861900000000, -0.0007351300000000 ] - [ 0.0003343500000000, 0.0004715000000000, -0.0000985500000000 ] - [ -0.0006501100000000, -0.0009502300000000, -0.0005787500000000 ] - [ -0.0006538900000000, -0.0009023700000000, -0.0005534800000000 ] - [ -0.0000842100000000, -0.0010622400000000, 0.0003941800000000 ] - [ -0.0001771900000000, -0.0005448700000000, 0.0009040700000000 ] - [ -0.0006594600000000, 0.0009005100000000, 0.0003829300000000 ] - [ 0.0012610800000000, -0.0066951500000000, 0.0103340900000000 ] - [ -0.0002267900000000, 0.0007452000000000, 0.0007312500000000 ] - [ -0.0002409000000000, 0.0007901200000000, 0.0005546800000000 ] - [ 0.0035825800000000, 0.0022496200000000, -0.0012348200000000 ] - [ 0.0035301000000000, 0.0021596400000000, -0.0010771900000000 ] - [ -0.0031024400000000, -0.0056264400000000, 0.0089688800000000 ] - [ 0.0025848700000000, -0.0002500000000000, 0.0019747700000000 ] - [ 0.0037143900000000, -0.0025793100000000, -0.0011890800000000 ] - [ 0.0034545600000000, -0.0018964200000000, -0.0010841500000000 ] - [ 0.0023369300000000, -0.0001467000000000, 0.0002607200000000 ] - [ 0.0023334000000000, -0.0001204600000000, 0.0002811500000000 ] - [ -0.0019388700000000, 0.0002877200000000, -0.0003729900000000 ] - [ -0.0012612500000000, -0.0003872600000000, 0.0002715600000000 ] - [ 0.0004097200000000, -0.0023833900000000, -0.0019855000000000 ] - [ 0.0004189000000000, -0.0024163600000000, -0.0019342800000000 ] - [ -0.0013382000000000, 0.0000457800000000, -0.0002103200000000 ] - [ -0.0012985900000000, 0.0002693600000000, -0.0001238500000000 ] - [ 0.0000950100000000, 0.0010091200000000, 0.0005979200000000 ] - [ 0.0006501700000000, 0.0032459800000000, -0.0006565700000000 ] - [ -0.0053321200000000, 0.0014406100000000, -0.0036876300000000 ] - [ -0.0052733700000000, 0.0014689700000000, -0.0039775500000000 ] - [ -0.0009218900000000, 0.0006751300000000, -0.0002674600000000 ] - [ -0.0009338900000000, 0.0006369100000000, -0.0004020500000000 ] - [ 0.0010054900000000, 0.0012807900000000, 0.0025735700000000 ] - [ 0.0010068700000000, 0.0012772400000000, 0.0025394300000000 ] - [ -0.0052635300000000, -0.0013762100000000, -0.0036670600000000 ] - [ -0.0052532100000000, -0.0014044600000000, -0.0036524400000000 ] - [ -0.0009301900000000, -0.0005801700000000, -0.0003542700000000 ] - [ -0.0009533300000000, -0.0007139900000000, -0.0002675700000000 ] - [ -0.0008686600000000, 0.0012804400000000, -0.0034845300000000 ] - [ -0.0007343500000000, 0.0010313500000000, -0.0027918900000000 ] - [ 0.0010230000000000, -0.0011291000000000, 0.0022197300000000 ] - [ 0.0016196900000000, -0.0017046000000000, 0.0025162800000000 ] - [ 0.0028458600000000, -0.0002958400000000, 0.0031060500000000 ] - [ 0.0039193800000000, 0.0008482000000000, 0.0032439700000000 ] - [ -0.0006190400000000, -0.0016142000000000, -0.0018392100000000 ] - [ -0.0006193000000000, -0.0016112500000000, -0.0018467100000000 ] - [ 0.0012682400000000, -0.0005768300000000, 0.0018151300000000 ] - [ 0.0012928700000000, -0.0004726200000000, 0.0017233300000000 ] - [ 0.0036776300000000, -0.0003896500000000, 0.0033255100000000 ] - [ 0.0036877200000000, -0.0003947900000000, 0.0032997300000000 ] - [ 0.0012613300000000, 0.0006678600000000, 0.0019537400000000 ] - [ 0.0012922700000000, 0.0004165000000000, 0.0017087000000000 ] - [ -0.0008482300000000, -0.0001371200000000, -0.0022398000000000 ] - [ -0.0006365500000000, 0.0002525700000000, -0.0023573700000000 ] - [ -0.0026028900000000, -0.0006761800000000, -0.0006515900000000 ] - [ -0.0025870500000000, -0.0006393300000000, -0.0006394900000000 ] - [ -0.0007662600000000, -0.0000315900000000, -0.0022409800000000 ] - [ -0.0007413700000000, -0.0000981000000000, -0.0023133700000000 ] - [ -0.0044652800000000, 0.0010858800000000, 0.0011472000000000 ] - [ -0.0025363300000000, 0.0005719200000000, -0.0009379100000000 ] - [ 0.0016321700000000, 0.0008237300000000, 0.0010868500000000 ] - [ 0.0016355200000000, 0.0008115400000000, 0.0010592000000000 ] - [ 0.0025109200000000, -0.0003033800000000, 0.0022555100000000 ] - [ 0.0013646000000000, 0.0000655100000000, -0.0001446200000000 ] - [ 0.0012263700000000, -0.0003811600000000, 0.0004101000000000 ] - [ 0.0013197900000000, -0.0004722800000000, -0.0000250800000000 ] - [ 0.0032206200000000, -0.0012408100000000, 0.0032233500000000 ] - [ 0.0031982600000000, -0.0012512000000000, 0.0031520400000000 ] - [ 0.0017592100000000, -0.0001209300000000, 0.0001234800000000 ] - [ 0.0010740300000000, -0.0012016300000000, 0.0003054100000000 ] - [ 0.0014614300000000, 0.0000259800000000, 0.0001527300000000 ] - [ 0.0014490500000000, 0.0000040700000000, 0.0001720600000000 ] - [ 0.0013097700000000, 0.0005026300000000, 0.0000230200000000 ] - [ 0.0013084400000000, 0.0003834600000000, 0.0001079500000000 ] - [ 0.0031185900000000, 0.0013799800000000, 0.0028415500000000 ] - [ 0.0025004600000000, 0.0006550400000000, 0.0032005800000000 ] - [ -0.0023088000000000, 0.0080249300000000, -0.0326264100000000 ] - [ -0.0013973900000000, -0.0012681800000000, -0.0016726700000000 ] - [ -0.0013529600000000, 0.0013593000000000, -0.0009364900000000 ] - [ -0.0013511900000000, 0.0013633400000000, -0.0009306700000000 ] - [ -0.0006238100000000, -0.0000231500000000, -0.0011196000000000 ] - [ -0.0014978000000000, 0.0030865000000000, 0.0004183200000000 ] - [ -0.0013849700000000, -0.0003460900000000, -0.0001029800000000 ] - [ -0.0013934400000000, -0.0002244500000000, -0.0000803700000000 ] - [ -0.0009698700000000, -0.0004411800000000, -0.0008072400000000 ] - [ -0.0009690900000000, -0.0004536500000000, -0.0008379900000000 ] - [ -0.0013699900000000, 0.0003658400000000, 0.0001349700000000 ] - [ -0.0013955700000000, 0.0002619400000000, -0.0002480700000000 ] - [ -0.0021981300000000, -0.0013120800000000, -0.0003614000000000 ] - [ -0.0023878800000000, -0.0010475700000000, -0.0004134800000000 ] - [ -0.0020521900000000, -0.0007891800000000, 0.0012628300000000 ] - [ -0.0020565500000000, -0.0007636900000000, 0.0012366100000000 ] - [ -0.0022650600000000, 0.0012132100000000, -0.0003403500000000 ] - [ -0.0022846200000000, 0.0011474500000000, -0.0003773700000000 ] - [ -0.0002282000000000, 0.0019386000000000, 0.0025326000000000 ] - [ -0.0020249600000000, 0.0005584100000000, 0.0009339200000000 ] - [ -0.0004604700000000, 0.0009819000000000, 0.0004222200000000 ] - [ -0.0004644000000000, 0.0009804700000000, 0.0004054200000000 ] - [ -0.0006609500000000, -0.0010934400000000, -0.0006199400000000 ] - [ -0.0001372000000000, -0.0015081500000000, -0.0004870000000000 ]- atom: 81 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ -0.0049773300000000, -0.0035110900000000, -0.0055949200000000 ] - [ 0.0007434400000000, -0.0009235900000000, -0.0001909600000000 ] - [ 0.0003404700000000, -0.0006048500000000, 0.0003525000000000 ] - [ 0.0003618300000000, -0.0003664200000000, 0.0004067900000000 ] - [ 0.0006667500000000, 0.0004747900000000, 0.0013016500000000 ] - [ 0.0006656500000000, 0.0004766000000000, 0.0013252600000000 ] - [ 0.0003514900000000, 0.0003847500000000, 0.0007071700000000 ] - [ 0.0003578600000000, 0.0004998800000000, 0.0000751600000000 ] - [ -0.0006451800000000, -0.0008609400000000, 0.0001901800000000 ] - [ -0.0006414100000000, -0.0009088900000000, 0.0001649800000000 ] - [ -0.0003850600000000, -0.0004687200000000, 0.0016357300000000 ] - [ -0.0002913100000000, -0.0009878800000000, 0.0011279400000000 ] - [ -0.0006350700000000, 0.0009134500000000, -0.0007673200000000 ] - [ -0.0024828900000000, 0.0082127700000000, -0.0104083000000000 ] - [ -0.0002413600000000, 0.0007872100000000, 0.0013016800000000 ] - [ -0.0002274100000000, 0.0007424700000000, 0.0014771200000000 ] - [ 0.0035095100000000, 0.0021536700000000, -0.0002711200000000 ] - [ 0.0035624400000000, 0.0022436800000000, -0.0004293300000000 ] - [ 0.0079576000000000, 0.0060351900000000, -0.0076923600000000 ] - [ 0.0020930500000000, 0.0004731700000000, -0.0005651900000000 ] - [ 0.0033800900000000, -0.0018261900000000, -0.0003160300000000 ] - [ 0.0036375900000000, -0.0025045700000000, -0.0004222800000000 ] - [ 0.0023408700000000, -0.0000786900000000, 0.0011486500000000 ] - [ 0.0023444400000000, -0.0001047300000000, 0.0011282500000000 ] - [ -0.0006925200000000, -0.0006404800000000, 0.0011519400000000 ] - [ -0.0013750800000000, 0.0000336300000000, 0.0005073500000000 ] - [ 0.0004381500000000, -0.0024084700000000, -0.0008080600000000 ] - [ 0.0004288300000000, -0.0023754300000000, -0.0008594000000000 ] - [ -0.0012984300000000, 0.0003062500000000, 0.0009897200000000 ] - [ -0.0013378200000000, 0.0000841500000000, 0.0009036600000000 ] - [ 0.0007475700000000, 0.0037812200000000, -0.0033712700000000 ] - [ 0.0001976300000000, 0.0015471000000000, -0.0021250800000000 ] - [ -0.0052052400000000, 0.0013837800000000, -0.0040154400000000 ] - [ -0.0052647700000000, 0.0013579800000000, -0.0037289200000000 ] - [ -0.0009222900000000, 0.0005744600000000, -0.0006518000000000 ] - [ -0.0009099400000000, 0.0006133100000000, -0.0005174800000000 ] - [ 0.0010121400000000, 0.0013563100000000, 0.0021561900000000 ] - [ 0.0010107600000000, 0.0013599800000000, 0.0021903000000000 ] - [ -0.0052748400000000, -0.0014501900000000, -0.0040397000000000 ] - [ -0.0052851300000000, -0.0014222000000000, -0.0040542100000000 ] - [ -0.0009137800000000, -0.0006694000000000, -0.0005656800000000 ] - [ -0.0008907800000000, -0.0005364300000000, -0.0006516900000000 ] - [ -0.0004142600000000, 0.0017236600000000, -0.0007306700000000 ] - [ -0.0005521600000000, 0.0019812400000000, -0.0014187700000000 ] - [ 0.0009950800000000, -0.0015079400000000, 0.0025078600000000 ] - [ 0.0004032800000000, -0.0009347200000000, 0.0022133200000000 ] - [ 0.0045896700000000, 0.0009096300000000, 0.0030412700000000 ] - [ 0.0035130700000000, -0.0002337500000000, 0.0029050000000000 ] - [ -0.0006670900000000, -0.0013983700000000, -0.0023700600000000 ] - [ -0.0006667700000000, -0.0014014800000000, -0.0023623800000000 ] - [ 0.0012665600000000, -0.0003844700000000, 0.0013466900000000 ] - [ 0.0012417100000000, -0.0004888800000000, 0.0014388700000000 ] - [ 0.0037534400000000, -0.0002224100000000, 0.0028233000000000 ] - [ 0.0037433800000000, -0.0002172900000000, 0.0028490300000000 ] - [ 0.0012731300000000, 0.0002945800000000, 0.0012094000000000 ] - [ 0.0012426600000000, 0.0005440900000000, 0.0014530400000000 ] - [ -0.0006668200000000, 0.0003233400000000, -0.0025778000000000 ] - [ -0.0008785200000000, -0.0000666500000000, -0.0024590700000000 ] - [ -0.0026027700000000, -0.0007921000000000, -0.0009882900000000 ] - [ -0.0026187000000000, -0.0008289800000000, -0.0010003600000000 ] - [ -0.0007491600000000, -0.0001537100000000, -0.0025760300000000 ] - [ -0.0007739300000000, -0.0000877300000000, -0.0025042100000000 ] - [ -0.0007760300000000, 0.0003786600000000, -0.0027421400000000 ] - [ -0.0026689500000000, 0.0008958700000000, -0.0007037400000000 ] - [ 0.0016958800000000, 0.0006601700000000, 0.0006294300000000 ] - [ 0.0016925600000000, 0.0006723900000000, 0.0006571500000000 ] - [ 0.0002705000000000, 0.0003388700000000, -0.0023687500000000 ] - [ 0.0014356700000000, -0.0000384300000000, 0.0000798500000000 ] - [ 0.0014694400000000, -0.0005466500000000, -0.0005930900000000 ] - [ 0.0013751000000000, -0.0004545900000000, -0.0001550500000000 ] - [ 0.0030659400000000, -0.0012248900000000, 0.0027357200000000 ] - [ 0.0030883900000000, -0.0012144700000000, 0.0028072800000000 ] - [ 0.0015720800000000, -0.0013677200000000, 0.0015875100000000 ] - [ 0.0022559500000000, -0.0002798200000000, 0.0014035900000000 ] - [ 0.0013387400000000, -0.0000526700000000, -0.0002179900000000 ] - [ 0.0013509900000000, -0.0000309800000000, -0.0002370900000000 ] - [ 0.0013854400000000, 0.0004246500000000, -0.0002036300000000 ] - [ 0.0013866900000000, 0.0005430200000000, -0.0002877300000000 ] - [ 0.0031676200000000, 0.0010855200000000, 0.0031155300000000 ] - [ 0.0037802700000000, 0.0018073000000000, 0.0027589500000000 ] - [ -0.0005345000000000, -0.0103936300000000, 0.0301576300000000 ] - [ -0.0013389800000000, -0.0013297900000000, -0.0006747800000000 ] - [ -0.0013832100000000, 0.0012387300000000, -0.0014102900000000 ] - [ -0.0013849800000000, 0.0012346900000000, -0.0014160800000000 ] - [ -0.0012481600000000, 0.0010237000000000, -0.0009234100000000 ] - [ -0.0003706100000000, -0.0021163200000000, -0.0024788300000000 ] - [ -0.0013981600000000, -0.0002417100000000, -0.0004645600000000 ] - [ -0.0013897500000000, -0.0003637000000000, -0.0004870500000000 ] - [ -0.0009015700000000, -0.0005604300000000, -0.0012366600000000 ] - [ -0.0009023400000000, -0.0005480300000000, -0.0012060200000000 ] - [ -0.0014128400000000, 0.0002231800000000, -0.0007022200000000 ] - [ -0.0013877100000000, 0.0003256500000000, -0.0003206900000000 ] - [ -0.0023875900000000, -0.0010645900000000, -0.0006651400000000 ] - [ -0.0021965500000000, -0.0013286500000000, -0.0006132500000000 ] - [ -0.0019216600000000, -0.0007334800000000, 0.0008878200000000 ] - [ -0.0019173000000000, -0.0007589800000000, 0.0009142000000000 ] - [ -0.0023194500000000, 0.0011636700000000, -0.0006868500000000 ] - [ -0.0022999000000000, 0.0012289600000000, -0.0006499500000000 ] - [ -0.0037152100000000, -0.0004026500000000, -0.0003503800000000 ] - [ -0.0019481400000000, 0.0009636400000000, 0.0012147500000000 ] - [ -0.0005222500000000, 0.0010165900000000, -0.0000272700000000 ] - [ -0.0005183500000000, 0.0010180500000000, -0.0000104600000000 ] - [ -0.0003226200000000, -0.0009068900000000, 0.0010117600000000 ] - [ -0.0008467500000000, -0.0004889200000000, 0.0008761100000000 ]- atom: 85 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0006193200000000, -0.0002506100000000, 0.0007808200000000 ] - [ 0.0120709100000000, -0.0050934100000000, -0.0028322800000000 ] - [ 0.0003633100000000, -0.0004228900000000, -0.0001217200000000 ] - [ 0.0003140100000000, -0.0004531700000000, 0.0000222300000000 ] - [ 0.0006576100000000, 0.0004822100000000, 0.0009379500000000 ] - [ 0.0006599200000000, 0.0004947200000000, 0.0009368500000000 ] - [ 0.0003576100000000, 0.0005427200000000, 0.0000077000000000 ] - [ 0.0002969000000000, 0.0004392300000000, 0.0000778000000000 ] - [ -0.0006469000000000, -0.0008916900000000, -0.0001455700000000 ] - [ -0.0006463900000000, -0.0009222700000000, -0.0001237900000000 ] - [ -0.0001367400000000, -0.0005852800000000, 0.0009795800000000 ] - [ 0.0009607700000000, -0.0004785900000000, -0.0010016600000000 ] - [ -0.0003740200000000, 0.0006500200000000, 0.0000143800000000 ] - [ -0.0006982300000000, 0.0011178400000000, -0.0002627200000000 ] - [ -0.0002280900000000, 0.0007572800000000, 0.0010753700000000 ] - [ -0.0002366100000000, 0.0007776700000000, 0.0010615400000000 ] - [ 0.0035785100000000, 0.0022512500000000, -0.0004910600000000 ] - [ 0.0035610300000000, 0.0021797800000000, -0.0007339000000000 ] - [ 0.0045481900000000, -0.0059452300000000, 0.0018491500000000 ] - [ 0.0024967500000000, 0.0000687700000000, 0.0002808200000000 ] - [ 0.0035970200000000, -0.0022228900000000, -0.0007466000000000 ] - [ 0.0035362300000000, -0.0021688100000000, -0.0006409200000000 ] - [ 0.0023416700000000, -0.0001104100000000, 0.0007647900000000 ] - [ 0.0023388700000000, -0.0001090200000000, 0.0007667300000000 ] - [ -0.0019701400000000, -0.0004306500000000, 0.0004902300000000 ] - [ -0.0017703500000000, -0.0004108800000000, 0.0002163400000000 ] - [ 0.0004162600000000, -0.0023937100000000, -0.0013120800000000 ] - [ 0.0004246300000000, -0.0023926700000000, -0.0013278500000000 ] - [ -0.0013288400000000, 0.0001707000000000, 0.0004504400000000 ] - [ -0.0013158100000000, 0.0001844100000000, 0.0004822800000000 ] - [ -0.0002774700000000, 0.0021837000000000, -0.0014606900000000 ] - [ 0.0006005900000000, 0.0027959800000000, -0.0010119900000000 ] - [ -0.0050556600000000, 0.0013862000000000, -0.0039625200000000 ] - [ -0.0035479300000000, 0.0025377200000000, -0.0045760900000000 ] - [ -0.0008638000000000, 0.0005240300000000, -0.0005435900000000 ] - [ -0.0009259000000000, 0.0006662000000000, -0.0003846700000000 ] - [ 0.0010185600000000, 0.0013229900000000, 0.0023352400000000 ] - [ 0.0010203000000000, 0.0013239700000000, 0.0023470900000000 ] - [ -0.0052722600000000, -0.0014139700000000, -0.0038763500000000 ] - [ -0.0052695200000000, -0.0014185000000000, -0.0038826700000000 ] - [ -0.0009179500000000, -0.0006148000000000, -0.0004729400000000 ] - [ -0.0009233500000000, -0.0006314400000000, -0.0004836500000000 ] - [ -0.0003957700000000, 0.0016060800000000, -0.0017858400000000 ] - [ -0.0002994700000000, 0.0005550800000000, -0.0029863600000000 ] - [ 0.0010048500000000, -0.0012644500000000, 0.0024852600000000 ] - [ 0.0010455200000000, -0.0013833500000000, 0.0023171200000000 ] - [ 0.0056059700000000, 0.0003914400000000, 0.0030487500000000 ] - [ 0.0037361000000000, 0.0003142100000000, 0.0031821400000000 ] - [ -0.0006452100000000, -0.0014896900000000, -0.0021458500000000 ] - [ -0.0006475700000000, -0.0014925600000000, -0.0021393700000000 ] - [ 0.0014842800000000, -0.0003335700000000, 0.0015837400000000 ] - [ 0.0012314000000000, -0.0004517500000000, 0.0015602800000000 ] - [ 0.0037205000000000, -0.0002961300000000, 0.0030442300000000 ] - [ 0.0037199200000000, -0.0002926100000000, 0.0030389600000000 ] - [ 0.0012663100000000, 0.0004785700000000, 0.0015753700000000 ] - [ 0.0012609000000000, 0.0004677300000000, 0.0015317800000000 ] - [ -0.0002318400000000, 0.0002903300000000, -0.0013044700000000 ] - [ -0.0007253200000000, 0.0000652600000000, -0.0023140400000000 ] - [ -0.0026063700000000, -0.0007338000000000, -0.0008420900000000 ] - [ -0.0026057600000000, -0.0007493400000000, -0.0008440000000000 ] - [ -0.0007550700000000, -0.0001003400000000, -0.0024229700000000 ] - [ -0.0007600100000000, -0.0000942500000000, -0.0024299300000000 ] - [ -0.0025553700000000, 0.0006576800000000, -0.0007364800000000 ] - [ -0.0026122700000000, 0.0007798200000000, -0.0009107900000000 ] - [ 0.0016702800000000, 0.0007282500000000, 0.0008261100000000 ] - [ 0.0016665200000000, 0.0007346000000000, 0.0008327100000000 ] - [ 0.0014490000000000, 0.0000264600000000, -0.0000455300000000 ] - [ 0.0019627100000000, -0.0014812200000000, 0.0010242200000000 ] - [ 0.0013458500000000, -0.0004783800000000, -0.0001021300000000 ] - [ 0.0011265500000000, -0.0002895500000000, -0.0000822100000000 ] - [ 0.0031255200000000, -0.0012386900000000, 0.0029471800000000 ] - [ 0.0031285200000000, -0.0012325600000000, 0.0029690400000000 ] - [ 0.0022021500000000, -0.0002182500000000, 0.0000285100000000 ] - [ 0.0015973900000000, -0.0009012900000000, 0.0009225300000000 ] - [ 0.0013937600000000, -0.0000149000000000, -0.0000613600000000 ] - [ 0.0013909800000000, -0.0000193700000000, -0.0000624100000000 ] - [ 0.0013553000000000, 0.0004747800000000, -0.0001222600000000 ] - [ 0.0013595200000000, 0.0004554000000000, -0.0001160900000000 ] - [ 0.0031484700000000, 0.0012727100000000, 0.0028755800000000 ] - [ 0.0030942600000000, 0.0011800400000000, 0.0029448400000000 ] - [ -0.0016331900000000, -0.0015413000000000, -0.0008706400000000 ] - [ -0.0018396900000000, -0.0018667700000000, -0.0017574200000000 ] - [ -0.0013711800000000, 0.0012915300000000, -0.0012078300000000 ] - [ -0.0013698500000000, 0.0012888300000000, -0.0012069500000000 ] - [ -0.0214617700000000, 0.0132875200000000, 0.0031978400000000 ] - [ -0.0009273800000000, 0.0003336100000000, -0.0009468800000000 ] - [ -0.0014474100000000, -0.0002950900000000, -0.0004270500000000 ] - [ -0.0013950500000000, -0.0003130700000000, -0.0002934700000000 ] - [ -0.0009309300000000, -0.0005103800000000, -0.0010488100000000 ] - [ -0.0009307700000000, -0.0005067700000000, -0.0010505900000000 ] - [ -0.0013920300000000, 0.0002712500000000, -0.0002913300000000 ] - [ -0.0013941200000000, 0.0003171500000000, -0.0003346800000000 ] - [ -0.0017475300000000, -0.0017055900000000, -0.0012736800000000 ] - [ -0.0022855500000000, -0.0012273600000000, -0.0004666400000000 ] - [ -0.0019605900000000, -0.0007582900000000, 0.0010375500000000 ] - [ -0.0019800000000000, -0.0007631300000000, 0.0010566800000000 ] - [ -0.0022960400000000, 0.0011894200000000, -0.0005294000000000 ] - [ -0.0022955300000000, 0.0011898100000000, -0.0005420000000000 ] - [ -0.0019610500000000, 0.0007678700000000, 0.0011243000000000 ] - [ -0.0019655900000000, 0.0007149000000000, 0.0009512700000000 ] - [ -0.0004965300000000, 0.0009997000000000, 0.0001650700000000 ] - [ -0.0004941900000000, 0.0010034400000000, 0.0001686800000000 ] - [ 0.0003605900000000, -0.0014056700000000, 0.0015864800000000 ] - [ -0.0004101300000000, -0.0011804800000000, 0.0001932400000000 ]- atom: 85 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0006978300000000, -0.0007327400000000, 0.0009744700000000 ] - [ -0.0111761000000000, 0.0043190600000000, 0.0047505200000000 ] - [ 0.0003288900000000, -0.0005481600000000, 0.0000952500000000 ] - [ 0.0003786300000000, -0.0005183500000000, -0.0000474700000000 ] - [ 0.0006596700000000, 0.0004994400000000, 0.0008141100000000 ] - [ 0.0006573200000000, 0.0004868000000000, 0.0008153600000000 ] - [ 0.0003348500000000, 0.0004279200000000, -0.0000337100000000 ] - [ 0.0003957800000000, 0.0005318200000000, -0.0001040400000000 ] - [ -0.0006486600000000, -0.0009199400000000, -0.0002430400000000 ] - [ -0.0006491900000000, -0.0008889400000000, -0.0002654600000000 ] - [ -0.0003313500000000, -0.0009487200000000, 0.0010539100000000 ] - [ -0.0014401900000000, -0.0010611600000000, 0.0030621100000000 ] - [ -0.0009220700000000, 0.0011622600000000, -0.0004022100000000 ] - [ -0.0005970900000000, 0.0006927000000000, -0.0001253500000000 ] - [ -0.0002403300000000, 0.0007750200000000, 0.0009570200000000 ] - [ -0.0002318200000000, 0.0007545600000000, 0.0009709000000000 ] - [ 0.0035139800000000, 0.0021510100000000, -0.0010152100000000 ] - [ 0.0035316500000000, 0.0022244900000000, -0.0007720300000000 ] - [ 0.0001243600000000, 0.0061110600000000, -0.0004198700000000 ] - [ 0.0021833300000000, 0.0001584500000000, 0.0011338100000000 ] - [ 0.0034953400000000, -0.0021803600000000, -0.0007596600000000 ] - [ 0.0035563200000000, -0.0022347300000000, -0.0008658000000000 ] - [ 0.0023359000000000, -0.0001151400000000, 0.0006445800000000 ] - [ 0.0023388000000000, -0.0001164700000000, 0.0006426400000000 ] - [ -0.0006681700000000, 0.0000797600000000, 0.0002989300000000 ] - [ -0.0008680500000000, 0.0000576000000000, 0.0005692200000000 ] - [ 0.0004313100000000, -0.0023988600000000, -0.0014814400000000 ] - [ 0.0004228200000000, -0.0023992800000000, -0.0014656300000000 ] - [ -0.0013078700000000, 0.0001823600000000, 0.0003294600000000 ] - [ -0.0013210100000000, 0.0001684500000000, 0.0002975300000000 ] - [ 0.0011264400000000, 0.0026098100000000, -0.0013301600000000 ] - [ 0.0002446200000000, 0.0019920400000000, -0.0017852400000000 ] - [ -0.0054839600000000, 0.0014414900000000, -0.0037436800000000 ] - [ -0.0069735900000000, 0.0003129100000000, -0.0031517200000000 ] - [ -0.0009808100000000, 0.0007256000000000, -0.0003765700000000 ] - [ -0.0009224500000000, 0.0005817200000000, -0.0005349400000000 ] - [ 0.0009985800000000, 0.0013140700000000, 0.0023945400000000 ] - [ 0.0009968500000000, 0.0013128200000000, 0.0023828300000000 ] - [ -0.0052666500000000, -0.0014123400000000, -0.0038298500000000 ] - [ -0.0052694100000000, -0.0014078800000000, -0.0038235500000000 ] - [ -0.0009266400000000, -0.0006349800000000, -0.0004467500000000 ] - [ -0.0009212000000000, -0.0006182900000000, -0.0004359600000000 ] - [ -0.0008939900000000, 0.0014062200000000, -0.0024278300000000 ] - [ -0.0009919800000000, 0.0024682600000000, -0.0012133200000000 ] - [ 0.0010126700000000, -0.0013726200000000, 0.0022444600000000 ] - [ 0.0009715100000000, -0.0012531800000000, 0.0024129500000000 ] - [ 0.0018378600000000, 0.0001996100000000, 0.0030895000000000 ] - [ 0.0036952300000000, 0.0002981100000000, 0.0029662400000000 ] - [ -0.0006414300000000, -0.0015224600000000, -0.0020639600000000 ] - [ -0.0006390200000000, -0.0015197200000000, -0.0020704100000000 ] - [ 0.0010493900000000, -0.0006273700000000, 0.0015778600000000 ] - [ 0.0013029000000000, -0.0005098700000000, 0.0016006500000000 ] - [ 0.0037101200000000, -0.0003163100000000, 0.0031050900000000 ] - [ 0.0037106600000000, -0.0003198500000000, 0.0031104300000000 ] - [ 0.0012681400000000, 0.0004825600000000, 0.0015862900000000 ] - [ 0.0012735900000000, 0.0004934700000000, 0.0016301400000000 ] - [ -0.0012859300000000, -0.0001044500000000, -0.0035271100000000 ] - [ -0.0007891300000000, 0.0001219500000000, -0.0025040000000000 ] - [ -0.0025992600000000, -0.0007339000000000, -0.0007972100000000 ] - [ -0.0026000400000000, -0.0007186200000000, -0.0007955900000000 ] - [ -0.0007601800000000, -0.0000856300000000, -0.0023944600000000 ] - [ -0.0007552200000000, -0.0000917300000000, -0.0023875500000000 ] - [ -0.0026506700000000, 0.0008103000000000, -0.0009039500000000 ] - [ -0.0025930700000000, 0.0006874100000000, -0.0007286100000000 ] - [ 0.0016573800000000, 0.0007553100000000, 0.0008904500000000 ] - [ 0.0016612100000000, 0.0007488800000000, 0.0008838500000000 ] - [ 0.0013547000000000, 0.0000004000000000, -0.0000197000000000 ] - [ 0.0008408000000000, 0.0015160400000000, -0.0010926700000000 ] - [ 0.0013493800000000, -0.0004487900000000, -0.0000785400000000 ] - [ 0.0015696300000000, -0.0006390600000000, -0.0000992400000000 ] - [ 0.0031611000000000, -0.0012272500000000, 0.0030125400000000 ] - [ 0.0031581400000000, -0.0012337300000000, 0.0029907000000000 ] - [ 0.0011218700000000, -0.0012683500000000, 0.0016949600000000 ] - [ 0.0017312200000000, -0.0005810400000000, 0.0007927700000000 ] - [ 0.0014064700000000, -0.0000115100000000, -0.0000034200000000 ] - [ 0.0014092200000000, -0.0000070900000000, -0.0000023400000000 ] - [ 0.0013401100000000, 0.0004526200000000, -0.0000580000000000 ] - [ 0.0013355800000000, 0.0004719600000000, -0.0000642000000000 ] - [ 0.0031382300000000, 0.0011933100000000, 0.0030843200000000 ] - [ 0.0031929300000000, 0.0012864500000000, 0.0030150400000000 ] - [ -0.0011041400000000, -0.0010553900000000, -0.0014770900000000 ] - [ -0.0008916200000000, -0.0007353300000000, -0.0005944100000000 ] - [ -0.0013652600000000, 0.0013065800000000, -0.0011389100000000 ] - [ -0.0013666300000000, 0.0013092900000000, -0.0011398800000000 ] - [ 0.0200342000000000, -0.0124363400000000, -0.0054341000000000 ] - [ -0.0009443300000000, 0.0006695100000000, -0.0010980700000000 ] - [ -0.0013357700000000, -0.0002921800000000, -0.0001381600000000 ] - [ -0.0013885700000000, -0.0002746600000000, -0.0002746200000000 ] - [ -0.0009406000000000, -0.0004916800000000, -0.0009948900000000 ] - [ -0.0009407500000000, -0.0004953300000000, -0.0009930500000000 ] - [ -0.0013917600000000, 0.0003167100000000, -0.0002763500000000 ] - [ -0.0013893700000000, 0.0002704400000000, -0.0002328600000000 ] - [ -0.0028418800000000, -0.0006699300000000, 0.0002416000000000 ] - [ -0.0023001200000000, -0.0011491500000000, -0.0005615700000000 ] - [ -0.0020140800000000, -0.0007641500000000, 0.0011135800000000 ] - [ -0.0019944400000000, -0.0007595400000000, 0.0010943400000000 ] - [ -0.0022890700000000, 0.0011868800000000, -0.0004979200000000 ] - [ -0.0022894900000000, 0.0011865200000000, -0.0004852900000000 ] - [ -0.0020134900000000, 0.0007542000000000, 0.0010264000000000 ] - [ -0.0020095700000000, 0.0008078500000000, 0.0012004900000000 ] - [ -0.0004864800000000, 0.0009984200000000, 0.0002297200000000 ] - [ -0.0004889400000000, 0.0009945900000000, 0.0002261700000000 ] - [ -0.0013407000000000, -0.0005984700000000, -0.0011801300000000 ] - [ -0.0005739400000000, -0.0008160300000000, 0.0002009600000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005876400000000, -0.0015876700000000, 0.0007249900000000 ] - [ -0.0041873400000000, 0.0026604300000000, 0.0016337400000000 ] - [ 0.0003891800000000, -0.0001335100000000, 0.0001638300000000 ] - [ 0.0003537600000000, -0.0007970000000000, -0.0000188500000000 ] - [ 0.0006642400000000, 0.0005133500000000, 0.0009784100000000 ] - [ 0.0006562000000000, 0.0004619500000000, 0.0009683100000000 ] - [ 0.0003113900000000, 0.0003471600000000, 0.0001301300000000 ] - [ 0.0003851600000000, 0.0006446600000000, 0.0000207500000000 ] - [ -0.0006487000000000, -0.0009698800000000, -0.0001493000000000 ] - [ -0.0006429600000000, -0.0008472300000000, -0.0000421700000000 ] - [ -0.0002708100000000, -0.0015444800000000, 0.0005950000000000 ] - [ 0.0002081900000000, 0.0024474600000000, -0.0038666900000000 ] - [ -0.0008728500000000, 0.0017315200000000, -0.0003914900000000 ] - [ -0.0005354100000000, 0.0003726700000000, 0.0000252400000000 ] - [ -0.0002420500000000, 0.0007975100000000, 0.0010920000000000 ] - [ -0.0002297900000000, 0.0007392000000000, 0.0011065800000000 ] - [ 0.0034763000000000, 0.0023224800000000, -0.0010899800000000 ] - [ 0.0035385700000000, 0.0020343900000000, -0.0004416300000000 ] - [ -0.0032874600000000, 0.0153645600000000, -0.0028991600000000 ] - [ 0.0019827700000000, -0.0013213700000000, 0.0001977500000000 ] - [ 0.0035269800000000, -0.0021804100000000, -0.0005465700000000 ] - [ 0.0035715400000000, -0.0022441200000000, -0.0007895000000000 ] - [ 0.0023351500000000, -0.0001007300000000, 0.0007989800000000 ] - [ 0.0023447900000000, -0.0001156900000000, 0.0008037400000000 ] - [ -0.0012139500000000, 0.0003486900000000, -0.0007154900000000 ] - [ -0.0006359000000000, -0.0012160100000000, 0.0013330000000000 ] - [ 0.0004191200000000, -0.0023223200000000, -0.0013476200000000 ] - [ 0.0004244000000000, -0.0024571300000000, -0.0012050000000000 ] - [ -0.0013107100000000, 0.0001840000000000, 0.0005463200000000 ] - [ -0.0013258000000000, 0.0001650700000000, 0.0004709200000000 ] - [ 0.0006128000000000, 0.0024624400000000, -0.0006865500000000 ] - [ 0.0003126900000000, 0.0019879400000000, -0.0017962400000000 ] - [ -0.0056375500000000, 0.0017213000000000, -0.0032736200000000 ] - [ -0.0039285300000000, 0.0026201900000000, -0.0048668900000000 ] - [ -0.0009218300000000, 0.0007349700000000, -0.0002398200000000 ] - [ -0.0006817600000000, 0.0006703400000000, -0.0006514200000000 ] - [ 0.0010015900000000, 0.0013323900000000, 0.0023851300000000 ] - [ 0.0010156800000000, 0.0013309200000000, 0.0022687800000000 ] - [ -0.0052700500000000, -0.0014232300000000, -0.0039051300000000 ] - [ -0.0052731400000000, -0.0014118400000000, -0.0038913100000000 ] - [ -0.0009246200000000, -0.0006357600000000, -0.0005122100000000 ] - [ -0.0009136400000000, -0.0005986200000000, -0.0004913500000000 ] - [ -0.0013606700000000, 0.0015557000000000, -0.0028914300000000 ] - [ -0.0006522400000000, 0.0019750300000000, -0.0015212500000000 ] - [ 0.0010741000000000, -0.0014420500000000, 0.0021373100000000 ] - [ 0.0009543200000000, -0.0012156600000000, 0.0024116500000000 ] - [ 0.0030382200000000, 0.0000268100000000, 0.0033880800000000 ] - [ 0.0036316700000000, 0.0008643200000000, 0.0034642600000000 ] - [ -0.0006524600000000, -0.0014964000000000, -0.0021508000000000 ] - [ -0.0006452700000000, -0.0014679600000000, -0.0021769200000000 ] - [ 0.0010980000000000, -0.0006692200000000, 0.0017610400000000 ] - [ 0.0012730400000000, -0.0002720100000000, 0.0013722500000000 ] - [ 0.0037215100000000, -0.0002838900000000, 0.0030184400000000 ] - [ 0.0037236300000000, -0.0002905400000000, 0.0030254300000000 ] - [ 0.0012520500000000, 0.0004717200000000, 0.0014971000000000 ] - [ 0.0012737100000000, 0.0004742600000000, 0.0015879400000000 ] - [ -0.0011540800000000, -0.0006655300000000, -0.0022457100000000 ] - [ -0.0005182200000000, 0.0006755700000000, -0.0024942100000000 ] - [ -0.0026477000000000, -0.0008212000000000, -0.0008765800000000 ] - [ -0.0025778900000000, -0.0006916200000000, -0.0008404500000000 ] - [ -0.0007656900000000, -0.0000879000000000, -0.0024427200000000 ] - [ -0.0007493600000000, -0.0001127000000000, -0.0024324300000000 ] - [ -0.0027157100000000, 0.0009378500000000, -0.0010953000000000 ] - [ -0.0025844400000000, 0.0006071700000000, -0.0006495400000000 ] - [ 0.0016681000000000, 0.0007362400000000, 0.0008365800000000 ] - [ 0.0016731100000000, 0.0007146500000000, 0.0007864600000000 ] - [ 0.0019635000000000, 0.0008933500000000, 0.0006129200000000 ] - [ -0.0005356900000000, 0.0030205300000000, -0.0019908900000000 ] - [ 0.0012586500000000, -0.0003909600000000, 0.0001067800000000 ] - [ 0.0013455500000000, -0.0004077500000000, -0.0002322200000000 ] - [ 0.0031619600000000, -0.0012129200000000, 0.0030105800000000 ] - [ 0.0031017700000000, -0.0012395900000000, 0.0028745200000000 ] - [ 0.0018791300000000, -0.0010614400000000, 0.0006962800000000 ] - [ 0.0017521200000000, -0.0004625600000000, 0.0007926000000000 ] - [ 0.0013854800000000, -0.0000255900000000, -0.0000838000000000 ] - [ 0.0013909600000000, -0.0000132500000000, -0.0000695600000000 ] - [ 0.0013682500000000, 0.0004451000000000, -0.0001386400000000 ] - [ 0.0013501200000000, 0.0004890400000000, -0.0001164600000000 ] - [ 0.0030295300000000, 0.0011463900000000, 0.0028798700000000 ] - [ 0.0031963700000000, 0.0013170900000000, 0.0029923100000000 ] - [ -0.0008980200000000, -0.0006217200000000, -0.0016799100000000 ] - [ -0.0018592500000000, 0.0000722500000000, 0.0014291400000000 ] - [ -0.0013689700000000, 0.0012697300000000, -0.0012331200000000 ] - [ -0.0013742700000000, 0.0012997800000000, -0.0012209600000000 ] - [ 0.0118348100000000, -0.0265759300000000, 0.0072290800000000 ] - [ -0.0011033700000000, 0.0010284700000000, -0.0010134100000000 ] - [ -0.0014063400000000, -0.0005930400000000, -0.0006476500000000 ] - [ -0.0013996800000000, -0.0001300700000000, -0.0002814500000000 ] - [ -0.0009262800000000, -0.0005056500000000, -0.0010643400000000 ] - [ -0.0009299200000000, -0.0005203500000000, -0.0010682700000000 ] - [ -0.0013955500000000, 0.0003567300000000, -0.0003657900000000 ] - [ -0.0013908400000000, 0.0002319300000000, -0.0002906100000000 ] - [ -0.0025806600000000, -0.0011143300000000, 0.0005159200000000 ] - [ -0.0024813800000000, -0.0008758000000000, -0.0005376500000000 ] - [ -0.0019498100000000, -0.0008228600000000, 0.0010762200000000 ] - [ -0.0019825400000000, -0.0007166300000000, 0.0009995700000000 ] - [ -0.0022944900000000, 0.0011947500000000, -0.0005616600000000 ] - [ -0.0022999700000000, 0.0011879500000000, -0.0005334100000000 ] - [ -0.0018846800000000, 0.0007896400000000, 0.0009208200000000 ] - [ -0.0019860700000000, 0.0007915100000000, 0.0011849200000000 ] - [ -0.0004938300000000, 0.0009993000000000, 0.0001673300000000 ] - [ -0.0004999400000000, 0.0010066400000000, 0.0001314800000000 ] - [ -0.0009497600000000, -0.0011270300000000, -0.0007476000000000 ] - [ -0.0005478800000000, -0.0007338800000000, 0.0003622400000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007291800000000, 0.0006096900000000, 0.0010285400000000 ] - [ 0.0054382500000000, -0.0036414000000000, 0.0001441100000000 ] - [ 0.0003036800000000, -0.0008356700000000, -0.0001924900000000 ] - [ 0.0003389300000000, -0.0001740900000000, -0.0000051300000000 ] - [ 0.0006528700000000, 0.0004684800000000, 0.0007735800000000 ] - [ 0.0006608700000000, 0.0005198300000000, 0.0007838500000000 ] - [ 0.0003813900000000, 0.0006244600000000, -0.0001563900000000 ] - [ 0.0003072600000000, 0.0003262300000000, -0.0000461300000000 ] - [ -0.0006464000000000, -0.0008408800000000, -0.0002387300000000 ] - [ -0.0006521300000000, -0.0009632700000000, -0.0003464000000000 ] - [ -0.0001977000000000, 0.0000131400000000, 0.0014416900000000 ] - [ -0.0006651800000000, -0.0039799800000000, 0.0058366000000000 ] - [ -0.0004218200000000, 0.0000797900000000, 0.0000056100000000 ] - [ -0.0007604600000000, 0.0014408100000000, -0.0004154600000000 ] - [ -0.0002257600000000, 0.0007346400000000, 0.0009407100000000 ] - [ -0.0002380800000000, 0.0007930900000000, 0.0009259100000000 ] - [ 0.0036162600000000, 0.0020801400000000, -0.0004157500000000 ] - [ 0.0035546200000000, 0.0023708200000000, -0.0010639100000000 ] - [ 0.0082255200000000, -0.0156707300000000, 0.0044741000000000 ] - [ 0.0026942100000000, 0.0015465600000000, 0.0012095500000000 ] - [ 0.0035662200000000, -0.0022233900000000, -0.0009597000000000 ] - [ 0.0035213700000000, -0.0021589500000000, -0.0007161700000000 ] - [ 0.0023429400000000, -0.0001247000000000, 0.0006103300000000 ] - [ 0.0023333500000000, -0.0001096000000000, 0.0006056500000000 ] - [ -0.0014223300000000, -0.0007151500000000, 0.0015010400000000 ] - [ -0.0019932400000000, 0.0008678600000000, -0.0005467200000000 ] - [ 0.0004287000000000, -0.0024702200000000, -0.0014456800000000 ] - [ 0.0004233600000000, -0.0023343400000000, -0.0015881700000000 ] - [ -0.0013258200000000, 0.0001692400000000, 0.0002339000000000 ] - [ -0.0013106900000000, 0.0001883300000000, 0.0003095400000000 ] - [ 0.0002333300000000, 0.0023229500000000, -0.0021085200000000 ] - [ 0.0005364100000000, 0.0028075600000000, -0.0009947300000000 ] - [ -0.0048969400000000, 0.0011059700000000, -0.0044392300000000 ] - [ -0.0065905000000000, 0.0002143500000000, -0.0028500300000000 ] - [ -0.0009222600000000, 0.0005165300000000, -0.0006810100000000 ] - [ -0.0011650800000000, 0.0005777700000000, -0.0002667800000000 ] - [ 0.0010160900000000, 0.0013054700000000, 0.0023441600000000 ] - [ 0.0010020900000000, 0.0013062800000000, 0.0024609800000000 ] - [ -0.0052682900000000, -0.0014030600000000, -0.0038017400000000 ] - [ -0.0052652000000000, -0.0014145600000000, -0.0038156000000000 ] - [ -0.0009194800000000, -0.0006138100000000, -0.0004072700000000 ] - [ -0.0009305000000000, -0.0006512100000000, -0.0004280100000000 ] - [ 0.0000822200000000, 0.0014583400000000, -0.0013086900000000 ] - [ -0.0006313100000000, 0.0010323600000000, -0.0026937300000000 ] - [ 0.0009433900000000, -0.0011944900000000, 0.0025923700000000 ] - [ 0.0010638400000000, -0.0014217700000000, 0.0023176900000000 ] - [ 0.0043969300000000, 0.0005891300000000, 0.0027594700000000 ] - [ 0.0037972900000000, -0.0002538300000000, 0.0026843800000000 ] - [ -0.0006337900000000, -0.0015157800000000, -0.0020586900000000 ] - [ -0.0006409300000000, -0.0015444000000000, -0.0020325300000000 ] - [ 0.0014383300000000, -0.0002898100000000, 0.0014019400000000 ] - [ 0.0012614600000000, -0.0006897800000000, 0.0017885800000000 ] - [ 0.0037094700000000, -0.0003277300000000, 0.0031300800000000 ] - [ 0.0037073200000000, -0.0003211200000000, 0.0031231200000000 ] - [ 0.0012826400000000, 0.0004900600000000, 0.0016651200000000 ] - [ 0.0012609700000000, 0.0004870500000000, 0.0015739600000000 ] - [ -0.0003533200000000, 0.0008556000000000, -0.0025623000000000 ] - [ -0.0009971700000000, -0.0004892400000000, -0.0023244600000000 ] - [ -0.0025580900000000, -0.0006466200000000, -0.0007628300000000 ] - [ -0.0026279800000000, -0.0007767100000000, -0.0007995200000000 ] - [ -0.0007496100000000, -0.0000973700000000, -0.0023746100000000 ] - [ -0.0007659600000000, -0.0000726100000000, -0.0023850700000000 ] - [ -0.0024899300000000, 0.0005306800000000, -0.0005430700000000 ] - [ -0.0026216800000000, 0.0008613400000000, -0.0009905900000000 ] - [ 0.0016594100000000, 0.0007480600000000, 0.0008803300000000 ] - [ 0.0016544800000000, 0.0007695800000000, 0.0009305200000000 ] - [ 0.0008293100000000, -0.0008819900000000, -0.0006863600000000 ] - [ 0.0032942900000000, -0.0029344300000000, 0.0018862800000000 ] - [ 0.0014366100000000, -0.0005347100000000, -0.0002879300000000 ] - [ 0.0013523200000000, -0.0005219700000000, 0.0000534400000000 ] - [ 0.0031243800000000, -0.0012524200000000, 0.0029485500000000 ] - [ 0.0031844900000000, -0.0012263100000000, 0.0030849900000000 ] - [ 0.0014494100000000, -0.0004189700000000, 0.0010192300000000 ] - [ 0.0015750500000000, -0.0010225400000000, 0.0009247000000000 ] - [ 0.0014144500000000, -0.0000008400000000, 0.0000183700000000 ] - [ 0.0014089100000000, -0.0000132900000000, 0.0000041700000000 ] - [ 0.0013268800000000, 0.0004823900000000, -0.0000415100000000 ] - [ 0.0013450200000000, 0.0004382400000000, -0.0000635600000000 ] - [ 0.0032570400000000, 0.0013201700000000, 0.0030788600000000 ] - [ 0.0030898300000000, 0.0011487700000000, 0.0029670400000000 ] - [ -0.0018408900000000, -0.0019772800000000, -0.0006650200000000 ] - [ -0.0008890100000000, -0.0026528400000000, -0.0037428400000000 ] - [ -0.0013672800000000, 0.0013284800000000, -0.0011136300000000 ] - [ -0.0013619800000000, 0.0012984000000000, -0.0011259400000000 ] - [ -0.0138998400000000, 0.0280184000000000, -0.0093838200000000 ] - [ -0.0007676400000000, -0.0000274900000000, -0.0010313700000000 ] - [ -0.0013772600000000, 0.0000052100000000, 0.0000800900000000 ] - [ -0.0013834500000000, -0.0004575900000000, -0.0002868700000000 ] - [ -0.0009450500000000, -0.0004959500000000, -0.0009797600000000 ] - [ -0.0009414100000000, -0.0004812900000000, -0.0009758200000000 ] - [ -0.0013875200000000, 0.0002313000000000, -0.0002016600000000 ] - [ -0.0013923300000000, 0.0003563000000000, -0.0002772400000000 ] - [ -0.0020014600000000, -0.0012621800000000, -0.0015517300000000 ] - [ -0.0021041900000000, -0.0015015000000000, -0.0004897300000000 ] - [ -0.0020239900000000, -0.0006996900000000, 0.0010747900000000 ] - [ -0.0019911700000000, -0.0008061600000000, 0.0011512900000000 ] - [ -0.0022899900000000, 0.0011821500000000, -0.0004655800000000 ] - [ -0.0022844600000000, 0.0011889100000000, -0.0004939500000000 ] - [ -0.0020886700000000, 0.0007342900000000, 0.0012303100000000 ] - [ -0.0019875800000000, 0.0007313600000000, 0.0009650400000000 ] - [ -0.0004885300000000, 0.0009995500000000, 0.0002279800000000 ] - [ -0.0004825200000000, 0.0009920900000000, 0.0002639400000000 ] - [ -0.0000347200000000, -0.0008666300000000, 0.0011408200000000 ] - [ -0.0004340900000000, -0.0012658400000000, 0.0000328900000000 ]- atom: 85 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0006708600000000, -0.0001881200000000, 0.0017106200000000 ] - [ -0.0030563900000000, 0.0003368700000000, 0.0035095900000000 ] - [ 0.0003118800000000, -0.0004467500000000, -0.0005816300000000 ] - [ 0.0003926500000000, -0.0004510100000000, -0.0001100600000000 ] - [ 0.0006505300000000, 0.0005001400000000, 0.0005016400000000 ] - [ 0.0006539300000000, 0.0005070400000000, 0.0005222500000000 ] - [ 0.0003712100000000, 0.0005437800000000, -0.0003103000000000 ] - [ 0.0003329600000000, 0.0003782400000000, -0.0003797700000000 ] - [ -0.0006572300000000, -0.0009247100000000, -0.0004390200000000 ] - [ -0.0006500100000000, -0.0008945700000000, -0.0006087400000000 ] - [ -0.0002389000000000, -0.0007484600000000, 0.0015208600000000 ] - [ -0.0021600700000000, -0.0063639400000000, 0.0161059500000000 ] - [ -0.0006724400000000, 0.0006652500000000, -0.0007689300000000 ] - [ -0.0006964800000000, 0.0010833200000000, -0.0002224200000000 ] - [ -0.0002287900000000, 0.0007443200000000, 0.0006926100000000 ] - [ -0.0002338000000000, 0.0007743300000000, 0.0007196400000000 ] - [ 0.0034450000000000, 0.0019012200000000, -0.0010813200000000 ] - [ 0.0035821700000000, 0.0024652100000000, -0.0010471200000000 ] - [ 0.0033568100000000, -0.0029261300000000, 0.0023973200000000 ] - [ 0.0021612000000000, -0.0001618700000000, 0.0019311500000000 ] - [ 0.0035194700000000, -0.0021390000000000, -0.0011559300000000 ] - [ 0.0035399300000000, -0.0022457100000000, -0.0010231700000000 ] - [ 0.0023372000000000, -0.0001367000000000, 0.0003366400000000 ] - [ 0.0023336600000000, -0.0001224700000000, 0.0003494600000000 ] - [ -0.0010147200000000, -0.0012775600000000, 0.0016771300000000 ] - [ -0.0015595700000000, 0.0004497400000000, 0.0009562600000000 ] - [ 0.0004425100000000, -0.0025106400000000, -0.0018583900000000 ] - [ 0.0004098500000000, -0.0023128800000000, -0.0018685500000000 ] - [ -0.0013151200000000, 0.0001951500000000, -0.0000790700000000 ] - [ -0.0013144000000000, 0.0001584600000000, -0.0000389200000000 ] - [ 0.0005643600000000, 0.0034404600000000, -0.0019730900000000 ] - [ 0.0004231700000000, 0.0021162200000000, -0.0014156200000000 ] - [ -0.0050770100000000, 0.0013583400000000, -0.0045541100000000 ] - [ -0.0062403800000000, 0.0009239700000000, -0.0042869100000000 ] - [ -0.0009775300000000, 0.0008278400000000, -0.0005183000000000 ] - [ -0.0015639400000000, 0.0002668700000000, -0.0003460200000000 ] - [ 0.0010048500000000, 0.0013335100000000, 0.0024774400000000 ] - [ 0.0010100200000000, 0.0012397800000000, 0.0025506700000000 ] - [ -0.0052603400000000, -0.0013949400000000, -0.0036791900000000 ] - [ -0.0052602600000000, -0.0013962700000000, -0.0036969900000000 ] - [ -0.0009335900000000, -0.0006524000000000, -0.0002960000000000 ] - [ -0.0009339800000000, -0.0006454700000000, -0.0003361800000000 ] - [ -0.0005872600000000, 0.0012666400000000, -0.0023446700000000 ] - [ -0.0007372700000000, 0.0017569900000000, -0.0020530500000000 ] - [ 0.0009825600000000, -0.0012535600000000, 0.0026811500000000 ] - [ 0.0010093600000000, -0.0013068800000000, 0.0024177300000000 ] - [ 0.0035708200000000, 0.0000425300000000, 0.0022109700000000 ] - [ 0.0038592300000000, -0.0000535300000000, 0.0025596800000000 ] - [ -0.0006203000000000, -0.0015876800000000, -0.0018785200000000 ] - [ -0.0006254600000000, -0.0016014000000000, -0.0018927700000000 ] - [ 0.0012998100000000, -0.0002704900000000, 0.0017914600000000 ] - [ 0.0013140700000000, -0.0006926100000000, 0.0016585300000000 ] - [ 0.0036889200000000, -0.0003779600000000, 0.0032737000000000 ] - [ 0.0036887200000000, -0.0003761000000000, 0.0032699300000000 ] - [ 0.0012968800000000, 0.0004924200000000, 0.0017466200000000 ] - [ 0.0012721000000000, 0.0005421300000000, 0.0017325500000000 ] - [ 0.0005371000000000, 0.0007496800000000, -0.0012740700000000 ] - [ -0.0008071200000000, -0.0000542000000000, -0.0024932200000000 ] - [ -0.0025667000000000, -0.0006083700000000, -0.0006244900000000 ] - [ -0.0026065900000000, -0.0007164700000000, -0.0007181300000000 ] - [ -0.0007493700000000, -0.0000817800000000, -0.0023047100000000 ] - [ -0.0007642700000000, -0.0000514200000000, -0.0022976400000000 ] - [ -0.0024656700000000, 0.0004290500000000, -0.0006442500000000 ] - [ -0.0027089700000000, 0.0008283000000000, -0.0007541600000000 ] - [ 0.0016311000000000, 0.0008087900000000, 0.0010245600000000 ] - [ 0.0016453800000000, 0.0007978100000000, 0.0010404300000000 ] - [ 0.0011660100000000, 0.0001391100000000, -0.0005039600000000 ] - [ 0.0019662800000000, -0.0009917600000000, -0.0002453600000000 ] - [ 0.0013697100000000, -0.0003646900000000, -0.0001959300000000 ] - [ 0.0017761700000000, -0.0009260400000000, -0.0000629400000000 ] - [ 0.0031840400000000, -0.0012096400000000, 0.0030900600000000 ] - [ 0.0032012900000000, -0.0012845500000000, 0.0031649900000000 ] - [ 0.0008442000000000, -0.0010748900000000, 0.0017985200000000 ] - [ 0.0016447700000000, -0.0006249800000000, 0.0007371600000000 ] - [ 0.0014476900000000, 0.0000111100000000, 0.0001430000000000 ] - [ 0.0014434600000000, 0.0000082400000000, 0.0001234500000000 ] - [ 0.0012975500000000, 0.0004527600000000, 0.0000735500000000 ] - [ 0.0013112400000000, 0.0004487500000000, 0.0000319300000000 ] - [ 0.0032730300000000, 0.0012555600000000, 0.0032609300000000 ] - [ 0.0031705900000000, 0.0012385800000000, 0.0030402000000000 ] - [ -0.0015391100000000, -0.0015264100000000, -0.0012900700000000 ] - [ -0.0017035300000000, 0.0009348100000000, 0.0002923100000000 ] - [ -0.0013551100000000, 0.0013604000000000, -0.0009577400000000 ] - [ -0.0013542100000000, 0.0013428800000000, -0.0009883900000000 ] - [ 0.0040457100000000, 0.0082039800000000, -0.0262073900000000 ] - [ -0.0008608600000000, 0.0005158500000000, -0.0013585500000000 ] - [ -0.0013563300000000, -0.0001230900000000, 0.0002984900000000 ] - [ -0.0013819700000000, -0.0003319000000000, -0.0002633300000000 ] - [ -0.0009625300000000, -0.0004584200000000, -0.0008596800000000 ] - [ -0.0009644300000000, -0.0004544500000000, -0.0008533600000000 ] - [ -0.0013948900000000, 0.0002452700000000, -0.0001258700000000 ] - [ -0.0013822200000000, 0.0003397100000000, -0.0001102900000000 ] - [ -0.0033219100000000, 0.0000049800000000, 0.0003082400000000 ] - [ -0.0022760100000000, -0.0013581800000000, -0.0006694500000000 ] - [ -0.0020843800000000, -0.0007244800000000, 0.0012355100000000 ] - [ -0.0020248900000000, -0.0008037500000000, 0.0012064700000000 ] - [ -0.0022787900000000, 0.0011699500000000, -0.0003797400000000 ] - [ -0.0022723900000000, 0.0011873600000000, -0.0003919400000000 ] - [ -0.0022113000000000, 0.0005825800000000, 0.0012220900000000 ] - [ -0.0019308300000000, 0.0008865300000000, 0.0011521700000000 ] - [ -0.0004635700000000, 0.0009979100000000, 0.0003694200000000 ] - [ -0.0004734400000000, 0.0009714200000000, 0.0003848500000000 ] - [ 0.0009505100000000, -0.0020057100000000, 0.0020857100000000 ] - [ -0.0005258400000000, -0.0009871600000000, 0.0000337800000000 ]- atom: 85 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0006455900000000, -0.0007959700000000, 0.0000417600000000 ] - [ 0.0043451700000000, -0.0012997200000000, -0.0017695600000000 ] - [ 0.0003804800000000, -0.0005224400000000, 0.0005586000000000 ] - [ 0.0002995000000000, -0.0005205600000000, 0.0000839600000000 ] - [ 0.0006666900000000, 0.0004814200000000, 0.0012517200000000 ] - [ 0.0006632000000000, 0.0004744700000000, 0.0012311000000000 ] - [ 0.0003213100000000, 0.0004272800000000, 0.0002858300000000 ] - [ 0.0003593900000000, 0.0005919200000000, 0.0003554600000000 ] - [ -0.0006377800000000, -0.0008860900000000, 0.0000515900000000 ] - [ -0.0006450800000000, -0.0009160700000000, 0.0002226900000000 ] - [ -0.0002280800000000, -0.0007856300000000, 0.0005078200000000 ] - [ 0.0017852000000000, 0.0050893800000000, -0.0146367900000000 ] - [ -0.0006239400000000, 0.0011446700000000, 0.0003853800000000 ] - [ -0.0005987200000000, 0.0007273800000000, -0.0001633700000000 ] - [ -0.0002391000000000, 0.0007876500000000, 0.0013409400000000 ] - [ -0.0002341500000000, 0.0007578400000000, 0.0013138700000000 ] - [ 0.0036487700000000, 0.0025045700000000, -0.0004245900000000 ] - [ 0.0035105900000000, 0.0019360000000000, -0.0004566700000000 ] - [ 0.0013204500000000, 0.0031634100000000, -0.0010071400000000 ] - [ 0.0025179900000000, 0.0003925400000000, -0.0005232800000000 ] - [ 0.0035735100000000, -0.0022643700000000, -0.0003489100000000 ] - [ 0.0035531300000000, -0.0021578300000000, -0.0004809600000000 ] - [ 0.0023409200000000, -0.0000885800000000, 0.0010739200000000 ] - [ 0.0023445700000000, -0.0001030000000000, 0.0010612000000000 ] - [ -0.0016253300000000, 0.0009288900000000, -0.0009091100000000 ] - [ -0.0010776500000000, -0.0008047300000000, -0.0001844800000000 ] - [ 0.0004048800000000, -0.0022803800000000, -0.0009337100000000 ] - [ 0.0004377800000000, -0.0024797900000000, -0.0009230800000000 ] - [ -0.0013216800000000, 0.0001574300000000, 0.0008610100000000 ] - [ -0.0013224800000000, 0.0001938700000000, 0.0008211100000000 ] - [ 0.0002856600000000, 0.0013573200000000, -0.0008153100000000 ] - [ 0.0004254400000000, 0.0026772800000000, -0.0013743600000000 ] - [ -0.0054606700000000, 0.0014689800000000, -0.0031521100000000 ] - [ -0.0042959300000000, 0.0019031200000000, -0.0034161300000000 ] - [ -0.0008657900000000, 0.0004217500000000, -0.0004001500000000 ] - [ -0.0002720600000000, 0.0009864400000000, -0.0005744400000000 ] - [ 0.0010131600000000, 0.0013039300000000, 0.0022511600000000 ] - [ 0.0010080000000000, 0.0013982500000000, 0.0021771700000000 ] - [ -0.0052776200000000, -0.0014320300000000, -0.0040292800000000 ] - [ -0.0052777100000000, -0.0014307200000000, -0.0040115400000000 ] - [ -0.0009100800000000, -0.0005977300000000, -0.0006236000000000 ] - [ -0.0009097100000000, -0.0006047200000000, -0.0005834700000000 ] - [ -0.0007029300000000, 0.0017472600000000, -0.0018694100000000 ] - [ -0.0005469000000000, 0.0012511900000000, -0.0021607700000000 ] - [ 0.0010349400000000, -0.0013835700000000, 0.0020472800000000 ] - [ 0.0010089200000000, -0.0013309100000000, 0.0023102500000000 ] - [ 0.0038608600000000, 0.0005731200000000, 0.0039423500000000 ] - [ 0.0035715700000000, 0.0006661200000000, 0.0035892000000000 ] - [ -0.0006659200000000, -0.0014250700000000, -0.0023314400000000 ] - [ -0.0006606300000000, -0.0014112700000000, -0.0023170900000000 ] - [ 0.0012347300000000, -0.0006930100000000, 0.0013705600000000 ] - [ 0.0012201300000000, -0.0002673400000000, 0.0015037400000000 ] - [ 0.0037424200000000, -0.0002331100000000, 0.0028728700000000 ] - [ 0.0037425500000000, -0.0002349100000000, 0.0028766400000000 ] - [ 0.0012378100000000, 0.0004691900000000, 0.0014151500000000 ] - [ 0.0012624900000000, 0.0004195900000000, 0.0014290900000000 ] - [ -0.0020721200000000, -0.0005686700000000, -0.0035657500000000 ] - [ -0.0007083000000000, 0.0002403500000000, -0.0023230600000000 ] - [ -0.0026400300000000, -0.0008613600000000, -0.0010166900000000 ] - [ -0.0025997500000000, -0.0007522000000000, -0.0009222900000000 ] - [ -0.0007666000000000, -0.0001033700000000, -0.0025129800000000 ] - [ -0.0007517800000000, -0.0001336000000000, -0.0025201400000000 ] - [ -0.0027398100000000, 0.0010383100000000, -0.0009967600000000 ] - [ -0.0024973400000000, 0.0006410100000000, -0.0008873800000000 ] - [ 0.0016960600000000, 0.0006752000000000, 0.0006918100000000 ] - [ 0.0016817000000000, 0.0006862100000000, 0.0006757100000000 ] - [ 0.0016358300000000, -0.0001081400000000, 0.0004411100000000 ] - [ 0.0008342000000000, 0.0010211900000000, 0.0001848300000000 ] - [ 0.0013242600000000, -0.0005618000000000, 0.0000173700000000 ] - [ 0.0009129600000000, 0.0000032800000000, -0.0001166500000000 ] - [ 0.0031018700000000, -0.0012558200000000, 0.0028684900000000 ] - [ 0.0030843200000000, -0.0011805600000000, 0.0027927200000000 ] - [ 0.0024663300000000, -0.0004140300000000, -0.0000652300000000 ] - [ 0.0016820900000000, -0.0008586800000000, 0.0009790700000000 ] - [ 0.0013514700000000, -0.0000385200000000, -0.0002099100000000 ] - [ 0.0013556400000000, -0.0000357000000000, -0.0001903500000000 ] - [ 0.0013971400000000, 0.0004739400000000, -0.0002538000000000 ] - [ 0.0013834900000000, 0.0004778600000000, -0.0002122400000000 ] - [ 0.0030137200000000, 0.0012103200000000, 0.0026975900000000 ] - [ 0.0031151700000000, 0.0012268200000000, 0.0029177700000000 ] - [ -0.0011957300000000, -0.0010679800000000, -0.0010596500000000 ] - [ -0.0010417200000000, -0.0034990500000000, -0.0026205200000000 ] - [ -0.0013814700000000, 0.0012367600000000, -0.0013899600000000 ] - [ -0.0013824100000000, 0.0012544600000000, -0.0013591400000000 ] - [ -0.0059817600000000, -0.0075096700000000, 0.0247492600000000 ] - [ -0.0010111100000000, 0.0004858400000000, -0.0006861600000000 ] - [ -0.0014272800000000, -0.0004673400000000, -0.0008691100000000 ] - [ -0.0014015300000000, -0.0002555500000000, -0.0003040900000000 ] - [ -0.0009090200000000, -0.0005428300000000, -0.0011861100000000 ] - [ -0.0009070900000000, -0.0005467600000000, -0.0011924200000000 ] - [ -0.0013887200000000, 0.0003428900000000, -0.0004425300000000 ] - [ -0.0014011000000000, 0.0002488200000000, -0.0004582700000000 ] - [ -0.0012489700000000, -0.0023968400000000, -0.0013528100000000 ] - [ -0.0023078200000000, -0.0010175800000000, -0.0003565300000000 ] - [ -0.0018882400000000, -0.0007991500000000, 0.0009144100000000 ] - [ -0.0019481500000000, -0.0007190500000000, 0.0009434600000000 ] - [ -0.0023054400000000, 0.0012072300000000, -0.0006479200000000 ] - [ -0.0023117600000000, 0.0011899000000000, -0.0006358400000000 ] - [ -0.0017633000000000, 0.0009398600000000, 0.0009277700000000 ] - [ -0.0020421100000000, 0.0006367000000000, 0.0009970100000000 ] - [ -0.0005185900000000, 0.0010010100000000, 0.0000255700000000 ] - [ -0.0005086900000000, 0.0010277300000000, 0.0000099600000000 ] - [ -0.0019003600000000, -0.0000118800000000, -0.0016533300000000 ] - [ -0.0004560200000000, -0.0010122600000000, 0.0003610400000000 ]- atom: 87 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0006348600000000, -0.0004957500000000, 0.0008445300000000 ] - [ 0.0006559900000000, -0.0004775300000000, 0.0009326200000000 ] - [ 0.0154154900000000, -0.0033700500000000, 0.0005621900000000 ] - [ 0.0003161900000000, -0.0004053500000000, 0.0000370700000000 ] - [ 0.0006595000000000, 0.0004748600000000, 0.0008342700000000 ] - [ 0.0006449500000000, 0.0005025700000000, 0.0008841300000000 ] - [ 0.0003464200000000, 0.0004844800000000, -0.0000201300000000 ] - [ 0.0003466200000000, 0.0004851300000000, -0.0000207400000000 ] - [ -0.0005683900000000, -0.0008164900000000, -0.0001707800000000 ] - [ 0.0000834300000000, -0.0011269000000000, 0.0000792800000000 ] - [ -0.0001915300000000, -0.0006743600000000, 0.0009873400000000 ] - [ 0.0006946700000000, -0.0010234600000000, 0.0005411800000000 ] - [ -0.0006483800000000, 0.0009058100000000, -0.0001980400000000 ] - [ -0.0006476600000000, 0.0009042700000000, -0.0002040200000000 ] - [ -0.0002345300000000, 0.0007649600000000, 0.0010045600000000 ] - [ -0.0002338500000000, 0.0007672100000000, 0.0010141900000000 ] - [ 0.0040200500000000, 0.0014973000000000, -0.0008267800000000 ] - [ 0.0038954800000000, 0.0017531700000000, -0.0007035600000000 ] - [ 0.0023264600000000, 0.0000901000000000, 0.0006033900000000 ] - [ 0.0023661300000000, 0.0001261800000000, 0.0007016500000000 ] - [ 0.0035464100000000, -0.0022034100000000, -0.0007602300000000 ] - [ 0.0035459100000000, -0.0022003200000000, -0.0007611000000000 ] - [ 0.0023355800000000, -0.0001590300000000, 0.0007198200000000 ] - [ 0.0023435500000000, -0.0000917700000000, 0.0006957000000000 ] - [ -0.0019310000000000, -0.0006568800000000, 0.0002810400000000 ] - [ -0.0017565100000000, -0.0004603200000000, 0.0003953200000000 ] - [ -0.0003717000000000, -0.0028428200000000, -0.0013604400000000 ] - [ 0.0001535000000000, -0.0024595800000000, -0.0014535500000000 ] - [ -0.0013183700000000, 0.0001673800000000, 0.0003813900000000 ] - [ -0.0013175600000000, 0.0001843700000000, 0.0003780700000000 ] - [ 0.0004245300000000, 0.0023895900000000, -0.0014049300000000 ] - [ 0.0004254300000000, 0.0024024100000000, -0.0014106600000000 ] - [ -0.0052121600000000, 0.0013647600000000, -0.0037866400000000 ] - [ -0.0053059600000000, 0.0013915400000000, -0.0039132400000000 ] - [ -0.0007889200000000, 0.0006945400000000, -0.0004255800000000 ] - [ 0.0019892200000000, 0.0027548100000000, 0.0011736900000000 ] - [ 0.0010944400000000, 0.0013043100000000, 0.0022781100000000 ] - [ 0.0025914500000000, 0.0021760100000000, 0.0016428000000000 ] - [ -0.0052672900000000, -0.0014095900000000, -0.0038441900000000 ] - [ -0.0052692900000000, -0.0014174000000000, -0.0038551700000000 ] - [ -0.0009221200000000, -0.0006248200000000, -0.0004550200000000 ] - [ -0.0009214800000000, -0.0006268000000000, -0.0004572400000000 ] - [ -0.0006414800000000, 0.0015186000000000, -0.0020963700000000 ] - [ -0.0006412500000000, 0.0015044600000000, -0.0021011000000000 ] - [ 0.0010080200000000, -0.0013175100000000, 0.0023677000000000 ] - [ 0.0010097600000000, -0.0013183000000000, 0.0023691000000000 ] - [ 0.0038785200000000, 0.0004172000000000, 0.0029782900000000 ] - [ 0.0036892900000000, 0.0003199600000000, 0.0031173700000000 ] - [ -0.0005314200000000, -0.0014297700000000, -0.0020385700000000 ] - [ -0.0006686800000000, -0.0014898500000000, -0.0021345100000000 ] - [ 0.0023896700000000, -0.0004443000000000, 0.0016827700000000 ] - [ 0.0012929600000000, -0.0005051600000000, 0.0015561400000000 ] - [ 0.0037123800000000, -0.0002975400000000, 0.0030705100000000 ] - [ 0.0037162600000000, -0.0003136300000000, 0.0030849600000000 ] - [ 0.0012678200000000, 0.0004825800000000, 0.0015847700000000 ] - [ 0.0012684300000000, 0.0004806000000000, 0.0015853100000000 ] - [ 0.0000381200000000, 0.0006439400000000, -0.0033612100000000 ] - [ -0.0006806900000000, 0.0000575800000000, -0.0024696400000000 ] - [ -0.0018225900000000, 0.0001247200000000, 0.0002909800000000 ] - [ -0.0025690200000000, -0.0009029100000000, -0.0007997100000000 ] - [ -0.0007586300000000, -0.0000906900000000, -0.0024068800000000 ] - [ -0.0007578000000000, -0.0000929700000000, -0.0024056600000000 ] - [ -0.0026042400000000, 0.0007343000000000, -0.0008168300000000 ] - [ -0.0026014400000000, 0.0007312800000000, -0.0008164700000000 ] - [ 0.0016808000000000, 0.0007271000000000, 0.0008281000000000 ] - [ 0.0016729400000000, 0.0007556000000000, 0.0008983500000000 ] - [ 0.0013826600000000, 0.0000285300000000, -0.0000317600000000 ] - [ 0.0013912900000000, 0.0000320300000000, -0.0000568400000000 ] - [ 0.0013278000000000, -0.0005758700000000, 0.0000386600000000 ] - [ 0.0022017900000000, -0.0017137600000000, -0.0011095100000000 ] - [ 0.0030287400000000, -0.0012365400000000, 0.0028838400000000 ] - [ 0.0037318800000000, -0.0020915000000000, 0.0038164400000000 ] - [ 0.0016616100000000, -0.0007404100000000, 0.0008594700000000 ] - [ 0.0016620800000000, -0.0007475300000000, 0.0008680600000000 ] - [ 0.0014014600000000, -0.0000096800000000, -0.0000263900000000 ] - [ 0.0014008800000000, -0.0000167200000000, -0.0000314400000000 ] - [ 0.0013465000000000, 0.0004637000000000, -0.0000863400000000 ] - [ 0.0013456100000000, 0.0004620200000000, -0.0000865300000000 ] - [ 0.0031447000000000, 0.0012333800000000, 0.0029823700000000 ] - [ 0.0031448200000000, 0.0012328500000000, 0.0029843400000000 ] - [ -0.0013649800000000, -0.0012963500000000, -0.0011666100000000 ] - [ -0.0013733700000000, -0.0012982700000000, -0.0011753500000000 ] - [ -0.0013992000000000, 0.0013098000000000, -0.0011527200000000 ] - [ -0.0013708400000000, 0.0012835600000000, -0.0011772700000000 ] - [ -0.0009912200000000, 0.0004864300000000, -0.0009904700000000 ] - [ -0.0009391000000000, 0.0004923600000000, -0.0010129200000000 ] - [ -0.0272383300000000, 0.0048375900000000, -0.0007569400000000 ] - [ -0.0014767600000000, -0.0003882300000000, -0.0002926100000000 ] - [ -0.0009357200000000, -0.0004964000000000, -0.0010257900000000 ] - [ -0.0009381900000000, -0.0005013400000000, -0.0010134000000000 ] - [ -0.0013904800000000, 0.0002945400000000, -0.0002800800000000 ] - [ -0.0013921500000000, 0.0002936500000000, -0.0002796300000000 ] - [ -0.0018711700000000, -0.0016845400000000, 0.0001230900000000 ] - [ -0.0023022100000000, -0.0012715800000000, -0.0005400200000000 ] - [ -0.0010044300000000, -0.0017052500000000, -0.0001822100000000 ] - [ -0.0019906400000000, -0.0008386300000000, 0.0010769600000000 ] - [ -0.0022911600000000, 0.0011902400000000, -0.0005111600000000 ] - [ -0.0022915200000000, 0.0011863200000000, -0.0005094200000000 ] - [ -0.0019873400000000, 0.0007635300000000, 0.0010786600000000 ] - [ -0.0019893800000000, 0.0007597600000000, 0.0010788600000000 ] - [ -0.0004458800000000, 0.0009417600000000, 0.0001257500000000 ] - [ -0.0005053200000000, 0.0009789800000000, 0.0002671900000000 ] - [ -0.0004885200000000, -0.0009954600000000, 0.0001983300000000 ] - [ -0.0004912400000000, -0.0010013900000000, 0.0002056600000000 ]- atom: 87 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0006817300000000, -0.0004867400000000, 0.0009080000000000 ] - [ 0.0006599100000000, -0.0005034300000000, 0.0008200200000000 ] - [ -0.0153896100000000, 0.0025469700000000, -0.0006094100000000 ] - [ 0.0003760900000000, -0.0005663800000000, -0.0000617700000000 ] - [ 0.0006569700000000, 0.0005072400000000, 0.0009181500000000 ] - [ 0.0006713700000000, 0.0004784400000000, 0.0008686700000000 ] - [ 0.0003459200000000, 0.0004860300000000, -0.0000049200000000 ] - [ 0.0003457100000000, 0.0004853500000000, -0.0000042000000000 ] - [ -0.0007265700000000, -0.0009955800000000, -0.0002169400000000 ] - [ -0.0013764900000000, -0.0006807300000000, -0.0004756200000000 ] - [ -0.0002766300000000, -0.0008592700000000, 0.0010458100000000 ] - [ -0.0011585700000000, -0.0005064300000000, 0.0014969600000000 ] - [ -0.0006468400000000, 0.0009049200000000, -0.0001894500000000 ] - [ -0.0006475400000000, 0.0009061900000000, -0.0001835400000000 ] - [ -0.0002334500000000, 0.0007669600000000, 0.0010284500000000 ] - [ -0.0002341100000000, 0.0007645800000000, 0.0010187800000000 ] - [ 0.0030706700000000, 0.0029108800000000, -0.0006773700000000 ] - [ 0.0032023100000000, 0.0026594200000000, -0.0008015900000000 ] - [ 0.0023517200000000, 0.0001348500000000, 0.0008070900000000 ] - [ 0.0023124800000000, 0.0000993500000000, 0.0007075200000000 ] - [ 0.0035464100000000, -0.0022002700000000, -0.0007449700000000 ] - [ 0.0035469300000000, -0.0022033400000000, -0.0007440500000000 ] - [ 0.0023426200000000, -0.0000666700000000, 0.0006896300000000 ] - [ 0.0023347800000000, -0.0001337900000000, 0.0007145900000000 ] - [ -0.0007037200000000, 0.0003040100000000, 0.0004957900000000 ] - [ -0.0008847800000000, 0.0001040000000000, 0.0003841400000000 ] - [ 0.0012203400000000, -0.0019496300000000, -0.0014334300000000 ] - [ 0.0006904600000000, -0.0023351400000000, -0.0013362500000000 ] - [ -0.0013182900000000, 0.0001854700000000, 0.0003996100000000 ] - [ -0.0013191300000000, 0.0001684800000000, 0.0004031700000000 ] - [ 0.0004232000000000, 0.0024024700000000, -0.0013872600000000 ] - [ 0.0004223100000000, 0.0023896900000000, -0.0013819200000000 ] - [ -0.0053261800000000, 0.0014626000000000, -0.0039213700000000 ] - [ -0.0052334900000000, 0.0014344200000000, -0.0037935900000000 ] - [ -0.0010565500000000, 0.0005569000000000, -0.0004949400000000 ] - [ -0.0038036800000000, -0.0014578300000000, -0.0020506100000000 ] - [ 0.0009222300000000, 0.0013344700000000, 0.0024520900000000 ] - [ -0.0005618500000000, 0.0004857300000000, 0.0030604600000000 ] - [ -0.0052708900000000, -0.0014175300000000, -0.0038633400000000 ] - [ -0.0052688900000000, -0.0014097100000000, -0.0038525400000000 ] - [ -0.0009215900000000, -0.0006255900000000, -0.0004643000000000 ] - [ -0.0009224800000000, -0.0006236200000000, -0.0004619300000000 ] - [ -0.0006449800000000, 0.0014943200000000, -0.0021128500000000 ] - [ -0.0006450900000000, 0.0015083700000000, -0.0021079200000000 ] - [ 0.0010099800000000, -0.0013201800000000, 0.0023614100000000 ] - [ 0.0010082600000000, -0.0013193800000000, 0.0023600300000000 ] - [ 0.0035518100000000, 0.0001941500000000, 0.0031691100000000 ] - [ 0.0037413300000000, 0.0002921200000000, 0.0030315600000000 ] - [ -0.0007551100000000, -0.0015833900000000, -0.0021701300000000 ] - [ -0.0006179200000000, -0.0015224100000000, -0.0020756500000000 ] - [ 0.0001598200000000, -0.0005343800000000, 0.0014861200000000 ] - [ 0.0012417300000000, -0.0004567000000000, 0.0016056600000000 ] - [ 0.0037186000000000, -0.0003139800000000, 0.0030772600000000 ] - [ 0.0037148000000000, -0.0002980000000000, 0.0030627600000000 ] - [ 0.0012667300000000, 0.0004787800000000, 0.0015773200000000 ] - [ 0.0012661400000000, 0.0004807500000000, 0.0015767900000000 ] - [ -0.0015587600000000, -0.0004598700000000, -0.0014465500000000 ] - [ -0.0008343200000000, 0.0001295000000000, -0.0023479800000000 ] - [ -0.0033888200000000, -0.0015970200000000, -0.0019405700000000 ] - [ -0.0026369700000000, -0.0005651600000000, -0.0008400500000000 ] - [ -0.0007574100000000, -0.0000944700000000, -0.0024104600000000 ] - [ -0.0007582100000000, -0.0000922700000000, -0.0024118000000000 ] - [ -0.0026020100000000, 0.0007345200000000, -0.0008234100000000 ] - [ -0.0026047500000000, 0.0007374200000000, -0.0008236800000000 ] - [ 0.0016460200000000, 0.0007573100000000, 0.0008893400000000 ] - [ 0.0016553900000000, 0.0007275000000000, 0.0008185600000000 ] - [ 0.0014166400000000, -0.0000012700000000, -0.0000344000000000 ] - [ 0.0014090200000000, -0.0000059400000000, -0.0000091600000000 ] - [ 0.0013694100000000, -0.0003509200000000, -0.0002192600000000 ] - [ 0.0004933100000000, 0.0007932300000000, 0.0009324800000000 ] - [ 0.0032583200000000, -0.0012281800000000, 0.0030758500000000 ] - [ 0.0025557200000000, -0.0003708100000000, 0.0021406000000000 ] - [ 0.0016658100000000, -0.0007437700000000, 0.0008572900000000 ] - [ 0.0016652200000000, -0.0007366300000000, 0.0008489700000000 ] - [ 0.0013977300000000, -0.0000175300000000, -0.0000396000000000 ] - [ 0.0013982100000000, -0.0000104800000000, -0.0000346400000000 ] - [ 0.0013480900000000, 0.0004628900000000, -0.0000935100000000 ] - [ 0.0013489700000000, 0.0004645700000000, -0.0000933100000000 ] - [ 0.0031412500000000, 0.0012321800000000, 0.0029765200000000 ] - [ 0.0031410300000000, 0.0012329200000000, 0.0029745000000000 ] - [ -0.0013715800000000, -0.0013009500000000, -0.0011800900000000 ] - [ -0.0013633600000000, -0.0012994300000000, -0.0011713100000000 ] - [ -0.0013371400000000, 0.0012880700000000, -0.0011930300000000 ] - [ -0.0013658700000000, 0.0013139800000000, -0.0011694800000000 ] - [ -0.0008800200000000, 0.0005156100000000, -0.0010560900000000 ] - [ -0.0009328300000000, 0.0005091100000000, -0.0010317100000000 ] - [ 0.0250957300000000, -0.0056386300000000, 0.0001973000000000 ] - [ -0.0013064000000000, -0.0002000200000000, -0.0002752900000000 ] - [ -0.0009356200000000, -0.0005048300000000, -0.0010189300000000 ] - [ -0.0009335900000000, -0.0005003100000000, -0.0010313800000000 ] - [ -0.0013928200000000, 0.0002936100000000, -0.0002877100000000 ] - [ -0.0013911500000000, 0.0002944300000000, -0.0002881400000000 ] - [ -0.0027182500000000, -0.0006910100000000, -0.0011512100000000 ] - [ -0.0022830400000000, -0.0011043200000000, -0.0004873200000000 ] - [ -0.0029721300000000, 0.0001771400000000, 0.0023260100000000 ] - [ -0.0019839100000000, -0.0006832000000000, 0.0010739300000000 ] - [ -0.0022929300000000, 0.0011866200000000, -0.0005161700000000 ] - [ -0.0022925200000000, 0.0011905200000000, -0.0005179700000000 ] - [ -0.0019862600000000, 0.0007595300000000, 0.0010717800000000 ] - [ -0.0019842800000000, 0.0007632600000000, 0.0010716300000000 ] - [ -0.0005363700000000, 0.0010570900000000, 0.0002699100000000 ] - [ -0.0004782700000000, 0.0010191900000000, 0.0001275100000000 ] - [ -0.0004939400000000, -0.0010034600000000, 0.0001969700000000 ] - [ -0.0004912600000000, -0.0009975200000000, 0.0001899900000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006717400000000, -0.0007686700000000, 0.0009372000000000 ] - [ 0.0006874000000000, -0.0001677100000000, 0.0008108600000000 ] - [ -0.0023756900000000, 0.0020078300000000, -0.0001184000000000 ] - [ 0.0004101000000000, -0.0015426000000000, -0.0000214700000000 ] - [ 0.0007352200000000, 0.0007723800000000, 0.0009003800000000 ] - [ 0.0006084200000000, 0.0002594000000000, 0.0008458500000000 ] - [ 0.0003412700000000, 0.0004613300000000, -0.0000210600000000 ] - [ 0.0003521100000000, 0.0005088600000000, -0.0000230800000000 ] - [ -0.0007270800000000, -0.0016256500000000, -0.0003482600000000 ] - [ -0.0007163000000000, 0.0005770900000000, 0.0006019700000000 ] - [ -0.0003569900000000, -0.0015253700000000, 0.0012578700000000 ] - [ -0.0002302000000000, 0.0010774100000000, 0.0005290700000000 ] - [ -0.0006584900000000, 0.0009628700000000, -0.0002174500000000 ] - [ -0.0006372900000000, 0.0008517500000000, -0.0001906100000000 ] - [ -0.0002486300000000, 0.0008077000000000, 0.0010241200000000 ] - [ -0.0002216000000000, 0.0007259800000000, 0.0009936000000000 ] - [ 0.0028518900000000, 0.0102011600000000, -0.0004990600000000 ] - [ 0.0029093400000000, -0.0006757000000000, -0.0006209600000000 ] - [ 0.0022547000000000, 0.0001783900000000, 0.0010305700000000 ] - [ 0.0023501300000000, 0.0000156900000000, 0.0004886500000000 ] - [ 0.0035422700000000, -0.0021973500000000, -0.0007620500000000 ] - [ 0.0035491300000000, -0.0022058900000000, -0.0007627400000000 ] - [ 0.0022566300000000, -0.0000811500000000, 0.0005336200000000 ] - [ 0.0023906800000000, -0.0001657000000000, 0.0008449000000000 ] - [ -0.0008727900000000, -0.0000758300000000, 0.0011083900000000 ] - [ -0.0006670900000000, -0.0012375900000000, -0.0006360700000000 ] - [ 0.0008956200000000, -0.0025149000000000, -0.0021165100000000 ] - [ 0.0009554600000000, -0.0031447000000000, -0.0002795000000000 ] - [ -0.0013066300000000, 0.0001930500000000, 0.0003305000000000 ] - [ -0.0013284900000000, 0.0001575900000000, 0.0004241400000000 ] - [ 0.0004385100000000, 0.0024312900000000, -0.0013549900000000 ] - [ 0.0004090900000000, 0.0023645600000000, -0.0014606900000000 ] - [ -0.0052910000000000, 0.0015697300000000, -0.0041052200000000 ] - [ -0.0053148000000000, 0.0013282000000000, -0.0036578900000000 ] - [ -0.0012959400000000, 0.0009824500000000, -0.0008842100000000 ] - [ 0.0013851200000000, 0.0023912900000000, 0.0013777600000000 ] - [ 0.0006934900000000, 0.0016201000000000, 0.0028176700000000 ] - [ 0.0021567600000000, 0.0022386300000000, 0.0011321100000000 ] - [ -0.0052741300000000, -0.0014348900000000, -0.0038238700000000 ] - [ -0.0052628700000000, -0.0013915900000000, -0.0038705900000000 ] - [ -0.0009188300000000, -0.0006343200000000, -0.0004456900000000 ] - [ -0.0009255700000000, -0.0006168500000000, -0.0004645700000000 ] - [ -0.0006583400000000, 0.0014942700000000, -0.0021609300000000 ] - [ -0.0006280900000000, 0.0015246100000000, -0.0020411900000000 ] - [ 0.0010136100000000, -0.0013281600000000, 0.0023599700000000 ] - [ 0.0010046100000000, -0.0013072200000000, 0.0023793100000000 ] - [ 0.0036319500000000, 0.0001226100000000, 0.0027650500000000 ] - [ 0.0037239200000000, 0.0005311200000000, 0.0033623200000000 ] - [ -0.0006756000000000, -0.0016737100000000, -0.0017324200000000 ] - [ -0.0006446500000000, -0.0012754200000000, -0.0023859700000000 ] - [ 0.0004055900000000, -0.0008687000000000, 0.0013764600000000 ] - [ 0.0014082700000000, -0.0001387100000000, 0.0015122300000000 ] - [ 0.0037015200000000, -0.0003079200000000, 0.0031328600000000 ] - [ 0.0037272800000000, -0.0003027900000000, 0.0030274100000000 ] - [ 0.0012665800000000, 0.0004837900000000, 0.0015889600000000 ] - [ 0.0012690900000000, 0.0004795400000000, 0.0015822900000000 ] - [ -0.0006853400000000, -0.0005040700000000, -0.0026991600000000 ] - [ -0.0005286000000000, 0.0007880500000000, -0.0024659000000000 ] - [ -0.0023361900000000, -0.0011412100000000, -0.0004869100000000 ] - [ -0.0024335900000000, -0.0000622600000000, -0.0006999200000000 ] - [ -0.0007668000000000, -0.0000777400000000, -0.0023940200000000 ] - [ -0.0007495800000000, -0.0001056500000000, -0.0024176200000000 ] - [ -0.0026108000000000, 0.0007456500000000, -0.0008329600000000 ] - [ -0.0025953300000000, 0.0007195100000000, -0.0007998800000000 ] - [ 0.0015334500000000, 0.0009240500000000, 0.0011206400000000 ] - [ 0.0017574900000000, 0.0005472800000000, 0.0005868700000000 ] - [ 0.0013274000000000, 0.0000974400000000, -0.0002270200000000 ] - [ 0.0015157600000000, -0.0000903700000000, 0.0002229900000000 ] - [ 0.0016354700000000, -0.0000977000000000, -0.0004275300000000 ] - [ -0.0008855700000000, 0.0014806300000000, 0.0018673900000000 ] - [ 0.0034697500000000, -0.0009703300000000, 0.0032933100000000 ] - [ 0.0014041700000000, -0.0000841800000000, 0.0013430100000000 ] - [ 0.0016470300000000, -0.0007787500000000, 0.0008685900000000 ] - [ 0.0016752000000000, -0.0007102900000000, 0.0008574600000000 ] - [ 0.0014123500000000, -0.0000372700000000, -0.0000225400000000 ] - [ 0.0013910600000000, 0.0000107200000000, -0.0000353800000000 ] - [ 0.0013416900000000, 0.0004542200000000, -0.0000810500000000 ] - [ 0.0013508000000000, 0.0004722800000000, -0.0000916500000000 ] - [ 0.0031387100000000, 0.0012247500000000, 0.0029791600000000 ] - [ 0.0031505600000000, 0.0012416600000000, 0.0029885400000000 ] - [ -0.0013551600000000, -0.0012451100000000, -0.0012252000000000 ] - [ -0.0013770200000000, -0.0013583400000000, -0.0011041900000000 ] - [ -0.0013423400000000, 0.0010981400000000, -0.0012430400000000 ] - [ -0.0013932700000000, 0.0014262100000000, -0.0011428700000000 ] - [ -0.0009369600000000, 0.0002026900000000, -0.0008511100000000 ] - [ -0.0009550900000000, 0.0006647400000000, -0.0010606200000000 ] - [ 0.0037779700000000, -0.0168461000000000, -0.0023537500000000 ] - [ -0.0014863400000000, 0.0005646200000000, -0.0002848500000000 ] - [ -0.0009129300000000, -0.0004383000000000, -0.0009726700000000 ] - [ -0.0009591000000000, -0.0005634800000000, -0.0010684500000000 ] - [ -0.0013919400000000, 0.0003040300000000, -0.0002792100000000 ] - [ -0.0013911700000000, 0.0002831800000000, -0.0002792400000000 ] - [ -0.0029688400000000, -0.0007597200000000, -0.0018016100000000 ] - [ -0.0024478000000000, -0.0008712400000000, -0.0003957000000000 ] - [ -0.0031895300000000, -0.0001343500000000, 0.0026769200000000 ] - [ -0.0020499300000000, -0.0004389300000000, 0.0008980000000000 ] - [ -0.0022858100000000, 0.0011886100000000, -0.0004984200000000 ] - [ -0.0022972500000000, 0.0011879900000000, -0.0005224100000000 ] - [ -0.0019826600000000, 0.0007624500000000, 0.0010677600000000 ] - [ -0.0019936600000000, 0.0007618800000000, 0.0010906200000000 ] - [ -0.0004271900000000, 0.0011087900000000, 0.0004067800000000 ] - [ -0.0005746300000000, 0.0009458800000000, 0.0000193100000000 ] - [ -0.0004826100000000, -0.0010320800000000, 0.0001667500000000 ] - [ -0.0004962400000000, -0.0009695500000000, 0.0002401500000000 ]- atom: 87 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006455000000000, -0.0002130200000000, 0.0008149900000000 ] - [ 0.0006297200000000, -0.0008131300000000, 0.0009431600000000 ] - [ 0.0030722100000000, -0.0029913100000000, 0.0000935400000000 ] - [ 0.0002828400000000, 0.0005732900000000, -0.0000031800000000 ] - [ 0.0005818600000000, 0.0002097500000000, 0.0008520400000000 ] - [ 0.0007088500000000, 0.0007223600000000, 0.0009078600000000 ] - [ 0.0003514000000000, 0.0005097500000000, -0.0000041300000000 ] - [ 0.0003405400000000, 0.0004621400000000, -0.0000019900000000 ] - [ -0.0005677100000000, -0.0001843800000000, -0.0000366500000000 ] - [ -0.0005782600000000, -0.0023848200000000, -0.0010072000000000 ] - [ -0.0001108100000000, -0.0000061200000000, 0.0007721500000000 ] - [ -0.0002368700000000, -0.0026061500000000, 0.0015252700000000 ] - [ -0.0006368200000000, 0.0008486800000000, -0.0001704500000000 ] - [ -0.0006580800000000, 0.0009596800000000, -0.0001975500000000 ] - [ -0.0002193100000000, 0.0007246100000000, 0.0010092800000000 ] - [ -0.0002463900000000, 0.0008063400000000, 0.0010400200000000 ] - [ 0.0043421900000000, -0.0062331800000000, -0.0010202400000000 ] - [ 0.0041820300000000, 0.0050784300000000, -0.0008832100000000 ] - [ 0.0024231100000000, 0.0000460000000000, 0.0003793200000000 ] - [ 0.0023275800000000, 0.0002113200000000, 0.0009211200000000 ] - [ 0.0035505000000000, -0.0022059500000000, -0.0007433400000000 ] - [ 0.0035436200000000, -0.0021973000000000, -0.0007426000000000 ] - [ 0.0024213600000000, -0.0001452700000000, 0.0008765200000000 ] - [ 0.0022869700000000, -0.0000589300000000, 0.0005654800000000 ] - [ -0.0017651600000000, -0.0002879500000000, -0.0003297100000000 ] - [ -0.0019634400000000, 0.0008884300000000, 0.0014160100000000 ] - [ -0.0000490300000000, -0.0022869700000000, -0.0006738100000000 ] - [ -0.0001039700000000, -0.0016430900000000, -0.0025110200000000 ] - [ -0.0013298400000000, 0.0001600700000000, 0.0004507400000000 ] - [ -0.0013079200000000, 0.0001958600000000, 0.0003571500000000 ] - [ 0.0004093500000000, 0.0023607700000000, -0.0014370700000000 ] - [ 0.0004389000000000, 0.0024281200000000, -0.0013316300000000 ] - [ -0.0052472700000000, 0.0012579500000000, -0.0036010400000000 ] - [ -0.0052251500000000, 0.0014974700000000, -0.0040503000000000 ] - [ -0.0005433000000000, 0.0002681600000000, -0.0000302800000000 ] - [ -0.0032004100000000, -0.0011366700000000, -0.0022849200000000 ] - [ 0.0013281900000000, 0.0010182100000000, 0.0019057300000000 ] - [ -0.0001250700000000, 0.0003993800000000, 0.0035922100000000 ] - [ -0.0052642000000000, -0.0013917800000000, -0.0038834100000000 ] - [ -0.0052755300000000, -0.0014352800000000, -0.0038369300000000 ] - [ -0.0009251800000000, -0.0006157200000000, -0.0004738000000000 ] - [ -0.0009184200000000, -0.0006332600000000, -0.0004549000000000 ] - [ -0.0006280000000000, 0.0015190700000000, -0.0020481000000000 ] - [ -0.0006581700000000, 0.0014881000000000, -0.0021682200000000 ] - [ 0.0010043600000000, -0.0013092900000000, 0.0023693200000000 ] - [ 0.0010134100000000, -0.0013302700000000, 0.0023499900000000 ] - [ 0.0038004000000000, 0.0004908900000000, 0.0033819700000000 ] - [ 0.0037070000000000, 0.0000807100000000, 0.0027864100000000 ] - [ -0.0006099300000000, -0.0013378000000000, -0.0024764500000000 ] - [ -0.0006414800000000, -0.0017373500000000, -0.0018238000000000 ] - [ 0.0021354800000000, -0.0000876900000000, 0.0017858100000000 ] - [ 0.0011281800000000, -0.0008243600000000, 0.0016506200000000 ] - [ 0.0037294800000000, -0.0003032800000000, 0.0030147500000000 ] - [ 0.0037038500000000, -0.0003088500000000, 0.0031205300000000 ] - [ 0.0012680300000000, 0.0004777500000000, 0.0015731000000000 ] - [ 0.0012655700000000, 0.0004819200000000, 0.0015798100000000 ] - [ -0.0008234700000000, 0.0006967200000000, -0.0021230700000000 ] - [ -0.0009869600000000, -0.0006033000000000, -0.0023510200000000 ] - [ -0.0028665200000000, -0.0003188600000000, -0.0011486900000000 ] - [ -0.0027725000000000, -0.0014073900000000, -0.0009406200000000 ] - [ -0.0007488300000000, -0.0001071400000000, -0.0024236400000000 ] - [ -0.0007660200000000, -0.0000793300000000, -0.0024001200000000 ] - [ -0.0025953700000000, 0.0007233800000000, -0.0008071800000000 ] - [ -0.0026107700000000, 0.0007493800000000, -0.0008402500000000 ] - [ 0.0017935600000000, 0.0005603200000000, 0.0005956300000000 ] - [ 0.0015709600000000, 0.0009354900000000, 0.0011303700000000 ] - [ 0.0014725500000000, -0.0000697900000000, 0.0001619100000000 ] - [ 0.0012854500000000, 0.0001155600000000, -0.0002892700000000 ] - [ 0.0010572300000000, -0.0008274300000000, 0.0002490200000000 ] - [ 0.0035469000000000, -0.0023809200000000, -0.0020196800000000 ] - [ 0.0028144800000000, -0.0014930300000000, 0.0026641100000000 ] - [ 0.0048603300000000, -0.0023683800000000, 0.0045975000000000 ] - [ 0.0016803700000000, -0.0007048000000000, 0.0008481900000000 ] - [ 0.0016520000000000, -0.0007735200000000, 0.0008598400000000 ] - [ 0.0013874000000000, 0.0000108300000000, -0.0000431800000000 ] - [ 0.0014085400000000, -0.0000373700000000, -0.0000305800000000 ] - [ 0.0013532600000000, 0.0004731600000000, -0.0000990900000000 ] - [ 0.0013440900000000, 0.0004550300000000, -0.0000884800000000 ] - [ 0.0031474700000000, 0.0012414200000000, 0.0029799600000000 ] - [ 0.0031355000000000, 0.0012246700000000, 0.0029705500000000 ] - [ -0.0013813900000000, -0.0013519100000000, -0.0011210600000000 ] - [ -0.0013597700000000, -0.0012391100000000, -0.0012423300000000 ] - [ -0.0013942700000000, 0.0015006700000000, -0.0011016100000000 ] - [ -0.0013433800000000, 0.0011709700000000, -0.0012044000000000 ] - [ -0.0009343900000000, 0.0008006800000000, -0.0011958700000000 ] - [ -0.0009165200000000, 0.0003368300000000, -0.0009833800000000 ] - [ -0.0066933900000000, 0.0166317100000000, 0.0017728300000000 ] - [ -0.0012983800000000, -0.0011523000000000, -0.0002828100000000 ] - [ -0.0009583300000000, -0.0005631000000000, -0.0010721300000000 ] - [ -0.0009123000000000, -0.0004382300000000, -0.0009760600000000 ] - [ -0.0013913000000000, 0.0002841400000000, -0.0002886900000000 ] - [ -0.0013920700000000, 0.0003049300000000, -0.0002886500000000 ] - [ -0.0016110400000000, -0.0016192300000000, 0.0007844400000000 ] - [ -0.0021362600000000, -0.0015063700000000, -0.0006309700000000 ] - [ -0.0007762600000000, -0.0013916800000000, -0.0005387900000000 ] - [ -0.0019223200000000, -0.0010852200000000, 0.0012515700000000 ] - [ -0.0022980800000000, 0.0011883400000000, -0.0005291600000000 ] - [ -0.0022866100000000, 0.0011888500000000, -0.0005051700000000 ] - [ -0.0019907900000000, 0.0007609600000000, 0.0010827400000000 ] - [ -0.0019798700000000, 0.0007613900000000, 0.0010598400000000 ] - [ -0.0005549000000000, 0.0008910900000000, -0.0000122600000000 ] - [ -0.0004090500000000, 0.0010514800000000, 0.0003770300000000 ] - [ -0.0004997100000000, -0.0009664000000000, 0.0002283900000000 ] - [ -0.0004860700000000, -0.0010292000000000, 0.0001553300000000 ]- atom: 87 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0006112400000000, -0.0004599200000000, 0.0006289100000000 ] - [ 0.0007310400000000, -0.0006108700000000, 0.0004045000000000 ] - [ 0.0000617100000000, -0.0004504900000000, 0.0024343900000000 ] - [ 0.0002967100000000, -0.0005688900000000, 0.0008681700000000 ] - [ 0.0006402000000000, 0.0006038000000000, 0.0004189800000000 ] - [ 0.0006721400000000, 0.0004423300000000, 0.0006009400000000 ] - [ 0.0003574300000000, 0.0004705700000000, -0.0003434300000000 ] - [ 0.0003564200000000, 0.0004705000000000, -0.0003541000000000 ] - [ -0.0006323200000000, -0.0010526600000000, 0.0000921800000000 ] - [ -0.0004634000000000, -0.0002827000000000, -0.0021887400000000 ] - [ -0.0002206500000000, -0.0006332400000000, 0.0013277800000000 ] - [ -0.0002953700000000, -0.0007211900000000, 0.0012485000000000 ] - [ -0.0006525000000000, 0.0009028500000000, -0.0005339100000000 ] - [ -0.0006555000000000, 0.0009318700000000, -0.0004849500000000 ] - [ -0.0002341800000000, 0.0007728000000000, 0.0006862100000000 ] - [ -0.0002297200000000, 0.0007484200000000, 0.0007192600000000 ] - [ 0.0035236000000000, 0.0023448800000000, 0.0012643000000000 ] - [ 0.0036417000000000, 0.0023858400000000, 0.0007054300000000 ] - [ 0.0023604000000000, 0.0003649100000000, 0.0002736000000000 ] - [ 0.0023175500000000, -0.0000340700000000, 0.0004302800000000 ] - [ 0.0035325500000000, -0.0022000300000000, -0.0011030900000000 ] - [ 0.0035341500000000, -0.0022024000000000, -0.0010872400000000 ] - [ 0.0023535000000000, -0.0002566700000000, 0.0002652400000000 ] - [ 0.0023156200000000, -0.0000335100000000, 0.0004000400000000 ] - [ -0.0016902500000000, 0.0009985800000000, 0.0010377300000000 ] - [ -0.0009822200000000, -0.0008771900000000, 0.0004430500000000 ] - [ 0.0009012400000000, -0.0037773800000000, -0.0014997200000000 ] - [ 0.0000622300000000, -0.0017453000000000, -0.0015868900000000 ] - [ -0.0013233300000000, 0.0001507600000000, -0.0000825900000000 ] - [ -0.0013069500000000, 0.0001971800000000, -0.0000465500000000 ] - [ 0.0004301300000000, 0.0024554000000000, -0.0018989200000000 ] - [ 0.0004160400000000, 0.0023611900000000, -0.0018461300000000 ] - [ -0.0051930500000000, 0.0012037100000000, -0.0037504600000000 ] - [ -0.0050694000000000, 0.0015817300000000, -0.0038090100000000 ] - [ -0.0009957100000000, 0.0005218900000000, -0.0008775600000000 ] - [ 0.0010159400000000, 0.0021115300000000, 0.0002742900000000 ] - [ 0.0011138700000000, 0.0014634200000000, 0.0019162500000000 ] - [ -0.0002598500000000, 0.0003148200000000, 0.0028732200000000 ] - [ -0.0052565100000000, -0.0013908500000000, -0.0036622900000000 ] - [ -0.0052635300000000, -0.0013998900000000, -0.0037068500000000 ] - [ -0.0009345600000000, -0.0006487700000000, -0.0003067800000000 ] - [ -0.0009337000000000, -0.0006482300000000, -0.0003234400000000 ] - [ -0.0006095600000000, 0.0015527100000000, -0.0019040500000000 ] - [ -0.0006372900000000, 0.0016270500000000, -0.0018773600000000 ] - [ 0.0010061000000000, -0.0012832500000000, 0.0025412100000000 ] - [ 0.0010052500000000, -0.0012837100000000, 0.0025219500000000 ] - [ 0.0036253300000000, 0.0002319500000000, 0.0033721100000000 ] - [ 0.0036866600000000, 0.0004361300000000, 0.0031833600000000 ] - [ -0.0005779100000000, -0.0015388500000000, -0.0017241500000000 ] - [ -0.0006251400000000, -0.0016728000000000, -0.0019727200000000 ] - [ 0.0012123400000000, -0.0003799200000000, 0.0009393600000000 ] - [ 0.0011518300000000, -0.0002708800000000, 0.0010916300000000 ] - [ 0.0036693100000000, -0.0003409300000000, 0.0032669300000000 ] - [ 0.0037044300000000, -0.0004086700000000, 0.0032773900000000 ] - [ 0.0012842500000000, 0.0005197400000000, 0.0017464600000000 ] - [ 0.0012842900000000, 0.0005180900000000, 0.0017419500000000 ] - [ -0.0023458800000000, -0.0006768500000000, -0.0016631200000000 ] - [ -0.0007302700000000, 0.0003118600000000, -0.0025697800000000 ] - [ -0.0011796800000000, 0.0002093800000000, -0.0000183700000000 ] - [ -0.0026364200000000, -0.0010986800000000, -0.0010326400000000 ] - [ -0.0007627100000000, -0.0000564600000000, -0.0022980800000000 ] - [ -0.0007511600000000, -0.0000758200000000, -0.0023015000000000 ] - [ -0.0025882600000000, 0.0006571300000000, -0.0006708000000000 ] - [ -0.0026033200000000, 0.0006799100000000, -0.0006751800000000 ] - [ 0.0015076500000000, 0.0009277200000000, 0.0009877600000000 ] - [ 0.0018082000000000, 0.0006123100000000, 0.0009295200000000 ] - [ 0.0014172400000000, -0.0001020600000000, -0.0000267100000000 ] - [ 0.0012922300000000, 0.0002045200000000, 0.0000204500000000 ] - [ 0.0015182900000000, -0.0005846100000000, -0.0004281300000000 ] - [ 0.0003807100000000, 0.0008084600000000, 0.0003193700000000 ] - [ 0.0029603200000000, -0.0010713500000000, 0.0026028900000000 ] - [ 0.0040574900000000, -0.0022407500000000, 0.0032969900000000 ] - [ 0.0016209500000000, -0.0008217600000000, 0.0010740100000000 ] - [ 0.0016445300000000, -0.0007905500000000, 0.0010091000000000 ] - [ 0.0014576900000000, 0.0000141200000000, 0.0001625900000000 ] - [ 0.0014362900000000, 0.0000038900000000, 0.0001093000000000 ] - [ 0.0013019100000000, 0.0004497900000000, 0.0000638900000000 ] - [ 0.0013054000000000, 0.0004511100000000, 0.0000454100000000 ] - [ 0.0032000300000000, 0.0012441700000000, 0.0031568200000000 ] - [ 0.0031950800000000, 0.0012453400000000, 0.0031356300000000 ] - [ -0.0013785100000000, -0.0013811800000000, -0.0009935600000000 ] - [ -0.0013381400000000, -0.0013105000000000, -0.0009691100000000 ] - [ -0.0013201700000000, 0.0015482900000000, -0.0007549900000000 ] - [ -0.0013630600000000, 0.0012989500000000, -0.0011365600000000 ] - [ -0.0010782800000000, 0.0001356600000000, -0.0004422700000000 ] - [ -0.0009449600000000, 0.0005041500000000, -0.0010024400000000 ] - [ -0.0010026700000000, -0.0025660200000000, -0.0095649600000000 ] - [ -0.0013972400000000, -0.0002912600000000, -0.0006849400000000 ] - [ -0.0009429800000000, -0.0004190700000000, -0.0008636500000000 ] - [ -0.0009861500000000, -0.0004941200000000, -0.0008498400000000 ] - [ -0.0013877500000000, 0.0002892500000000, -0.0001145900000000 ] - [ -0.0013872000000000, 0.0002892900000000, -0.0001113400000000 ] - [ -0.0011807000000000, -0.0027230400000000, 0.0004630500000000 ] - [ -0.0023688800000000, -0.0010842800000000, -0.0007191900000000 ] - [ -0.0037909300000000, 0.0012875500000000, 0.0025757700000000 ] - [ -0.0018305900000000, -0.0008419900000000, 0.0008352400000000 ] - [ -0.0022719500000000, 0.0011867600000000, -0.0003825400000000 ] - [ -0.0022787600000000, 0.0011710100000000, -0.0003851700000000 ] - [ -0.0020535200000000, 0.0007626300000000, 0.0012243600000000 ] - [ -0.0020359600000000, 0.0007837300000000, 0.0012205200000000 ] - [ -0.0004128900000000, 0.0012149400000000, 0.0003326300000000 ] - [ -0.0006603500000000, 0.0007989600000000, 0.0003045000000000 ] - [ -0.0004519800000000, -0.0009987800000000, 0.0004088200000000 ] - [ -0.0004752600000000, -0.0009731000000000, 0.0003561500000000 ]- atom: 87 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0007056800000000, -0.0005217600000000, 0.0011247000000000 ] - [ 0.0005869800000000, -0.0003706500000000, 0.0013477500000000 ] - [ 0.0006695500000000, -0.0005201800000000, -0.0024595800000000 ] - [ 0.0003957900000000, -0.0004032600000000, -0.0008940900000000 ] - [ 0.0006773900000000, 0.0003775900000000, 0.0013341400000000 ] - [ 0.0006448500000000, 0.0005392600000000, 0.0011513600000000 ] - [ 0.0003350500000000, 0.0004998500000000, 0.0003186300000000 ] - [ 0.0003360100000000, 0.0004997000000000, 0.0003293800000000 ] - [ -0.0006623700000000, -0.0007582400000000, -0.0004817000000000 ] - [ -0.0008312500000000, -0.0015169400000000, 0.0017527400000000 ] - [ -0.0002467900000000, -0.0008993600000000, 0.0007073400000000 ] - [ -0.0001661400000000, -0.0007659400000000, 0.0009312400000000 ] - [ -0.0006423900000000, 0.0009075300000000, 0.0001468300000000 ] - [ -0.0006394000000000, 0.0008786000000000, 0.0000982400000000 ] - [ -0.0002335100000000, 0.0007590900000000, 0.0013468100000000 ] - [ -0.0002379800000000, 0.0007835900000000, 0.0013135500000000 ] - [ 0.0035699600000000, 0.0020722800000000, -0.0027679300000000 ] - [ 0.0034516000000000, 0.0020225600000000, -0.0022109500000000 ] - [ 0.0023179100000000, -0.0001378900000000, 0.0011369500000000 ] - [ 0.0023609100000000, 0.0002582700000000, 0.0009797800000000 ] - [ 0.0035607400000000, -0.0022035900000000, -0.0004015400000000 ] - [ 0.0035591900000000, -0.0022013100000000, -0.0004173400000000 ] - [ 0.0023244700000000, 0.0000321100000000, 0.0011450500000000 ] - [ 0.0023631800000000, -0.0001923700000000, 0.0010100100000000 ] - [ -0.0009482400000000, -0.0013479700000000, -0.0002482300000000 ] - [ -0.0016537200000000, 0.0005255300000000, 0.0003430400000000 ] - [ -0.0000560300000000, -0.0010111600000000, -0.0012966600000000 ] - [ 0.0007862100000000, -0.0030477500000000, -0.0012101900000000 ] - [ -0.0013131900000000, 0.0002018600000000, 0.0008639500000000 ] - [ -0.0013297700000000, 0.0001550200000000, 0.0008278900000000 ] - [ 0.0004178000000000, 0.0023372100000000, -0.0008935700000000 ] - [ 0.0004317700000000, 0.0024305600000000, -0.0009462400000000 ] - [ -0.0053435100000000, 0.0016227700000000, -0.0039582400000000 ] - [ -0.0054653700000000, 0.0012470600000000, -0.0039003200000000 ] - [ -0.0008487700000000, 0.0007301300000000, -0.0000429300000000 ] - [ -0.0028446200000000, -0.0008535300000000, -0.0011922200000000 ] - [ 0.0009029800000000, 0.0011752800000000, 0.0028153800000000 ] - [ 0.0022925100000000, 0.0023317700000000, 0.0018512700000000 ] - [ -0.0052806600000000, -0.0014364600000000, -0.0040460500000000 ] - [ -0.0052736400000000, -0.0014273500000000, -0.0040013700000000 ] - [ -0.0009085700000000, -0.0006017700000000, -0.0006114700000000 ] - [ -0.0009096900000000, -0.0006023300000000, -0.0005946300000000 ] - [ -0.0006761600000000, 0.0014607500000000, -0.0023044100000000 ] - [ -0.0006485900000000, 0.0013868300000000, -0.0023307800000000 ] - [ 0.0010126500000000, -0.0013544600000000, 0.0021876100000000 ] - [ 0.0010135300000000, -0.0013539700000000, 0.0022067400000000 ] - [ 0.0038055400000000, 0.0003778300000000, 0.0027741900000000 ] - [ 0.0037446200000000, 0.0001751000000000, 0.0029627400000000 ] - [ -0.0007080900000000, -0.0014749600000000, -0.0024836800000000 ] - [ -0.0006604500000000, -0.0013402800000000, -0.0022349500000000 ] - [ 0.0013205700000000, -0.0005792700000000, 0.0022206500000000 ] - [ 0.0013826300000000, -0.0006915700000000, 0.0020712200000000 ] - [ 0.0037622900000000, -0.0002698300000000, 0.0028798900000000 ] - [ 0.0037269600000000, -0.0002017800000000, 0.0028693400000000 ] - [ 0.0012505300000000, 0.0004425200000000, 0.0014168300000000 ] - [ 0.0012504700000000, 0.0004442100000000, 0.0014213800000000 ] - [ 0.0008108000000000, 0.0008550500000000, -0.0031422700000000 ] - [ -0.0007861700000000, -0.0001265900000000, -0.0022470100000000 ] - [ -0.0040437900000000, -0.0016865700000000, -0.0016303900000000 ] - [ -0.0025700000000000, -0.0003698400000000, -0.0006066900000000 ] - [ -0.0007537800000000, -0.0001280300000000, -0.0025183800000000 ] - [ -0.0007653900000000, -0.0001085700000000, -0.0025150400000000 ] - [ -0.0026184400000000, 0.0008123300000000, -0.0009696300000000 ] - [ -0.0026035000000000, 0.0007897000000000, -0.0009653000000000 ] - [ 0.0018196700000000, 0.0005564100000000, 0.0007303200000000 ] - [ 0.0015165100000000, 0.0008742400000000, 0.0007893700000000 ] - [ 0.0013813300000000, 0.0001301100000000, -0.0000413300000000 ] - [ 0.0015046800000000, -0.0001746200000000, -0.0000885000000000 ] - [ 0.0011777300000000, -0.0003395400000000, 0.0002474200000000 ] - [ 0.0023091100000000, -0.0017278800000000, -0.0004976500000000 ] - [ 0.0033275600000000, -0.0013923800000000, 0.0033585000000000 ] - [ 0.0022245300000000, -0.0002188000000000, 0.0026626800000000 ] - [ 0.0017057100000000, -0.0006631400000000, 0.0006439400000000 ] - [ 0.0016822800000000, -0.0006940600000000, 0.0007084400000000 ] - [ 0.0013410200000000, -0.0000421800000000, -0.0002296800000000 ] - [ 0.0013624900000000, -0.0000318700000000, -0.0001760800000000 ] - [ 0.0013925100000000, 0.0004761900000000, -0.0002425500000000 ] - [ 0.0013889800000000, 0.0004748800000000, -0.0002239700000000 ] - [ 0.0030854300000000, 0.0012207900000000, 0.0028018300000000 ] - [ 0.0030904200000000, 0.0012196700000000, 0.0028229300000000 ] - [ -0.0013583200000000, -0.0012159800000000, -0.0013532800000000 ] - [ -0.0013985200000000, -0.0012863900000000, -0.0013774700000000 ] - [ -0.0014168500000000, 0.0010461600000000, -0.0015935400000000 ] - [ -0.0013736000000000, 0.0012986000000000, -0.0012093200000000 ] - [ -0.0007948200000000, 0.0008609800000000, -0.0015991200000000 ] - [ -0.0009268100000000, 0.0004971800000000, -0.0010435000000000 ] - [ -0.0018538600000000, 0.0019253700000000, 0.0088765600000000 ] - [ -0.0013852500000000, -0.0002959000000000, 0.0001177400000000 ] - [ -0.0009284900000000, -0.0005818400000000, -0.0011814600000000 ] - [ -0.0008854000000000, -0.0005066100000000, -0.0011953000000000 ] - [ -0.0013953900000000, 0.0002989100000000, -0.0004528000000000 ] - [ -0.0013959300000000, 0.0002989000000000, -0.0004560500000000 ] - [ -0.0033915800000000, 0.0003257200000000, -0.0014724300000000 ] - [ -0.0022149100000000, -0.0012935700000000, -0.0003080300000000 ] - [ -0.0001552700000000, -0.0028423200000000, -0.0004543600000000 ] - [ -0.0021422400000000, -0.0006821300000000, 0.0013168100000000 ] - [ -0.0023118200000000, 0.0011911200000000, -0.0006439100000000 ] - [ -0.0023049200000000, 0.0012069600000000, -0.0006413400000000 ] - [ -0.0019188900000000, 0.0007613100000000, 0.0009263500000000 ] - [ -0.0019363100000000, 0.0007403900000000, 0.0009301600000000 ] - [ -0.0005685500000000, 0.0007829900000000, 0.0000643900000000 ] - [ -0.0003183300000000, 0.0012019800000000, 0.0000930800000000 ] - [ -0.0005290400000000, -0.0010003200000000, -0.0000121000000000 ] - [ -0.0005059900000000, -0.0010257800000000, 0.0000404000000000 ]- atom: 93 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0005655800000000, -0.0003273900000000, 0.0007663000000000 ] - [ 0.0002169900000000, -0.0009987900000000, 0.0008791900000000 ] - [ -0.0001020100000000, -0.0010697600000000, 0.0000450000000000 ] - [ 0.0001759200000000, -0.0004412700000000, 0.0000426900000000 ] - [ 0.0006570200000000, 0.0004803100000000, 0.0008343900000000 ] - [ 0.0006626400000000, 0.0005036300000000, 0.0008459800000000 ] - [ 0.0003502100000000, 0.0004969000000000, -0.0000507900000000 ] - [ 0.0003465400000000, 0.0004682000000000, -0.0000405000000000 ] - [ -0.0006440000000000, -0.0008686700000000, -0.0001638100000000 ] - [ -0.0006828700000000, -0.0009377700000000, -0.0004958200000000 ] - [ -0.0000761200000000, -0.0013233800000000, 0.0011902000000000 ] - [ -0.0001438400000000, -0.0020620800000000, 0.0010518300000000 ] - [ -0.0006495800000000, 0.0008245500000000, -0.0001760100000000 ] - [ -0.0006527700000000, 0.0009601800000000, -0.0002425300000000 ] - [ -0.0002327600000000, 0.0007607800000000, 0.0009843300000000 ] - [ -0.0002345300000000, 0.0007692400000000, 0.0009860200000000 ] - [ 0.0045029300000000, 0.0015523200000000, -0.0015340400000000 ] - [ 0.0035841300000000, 0.0024898800000000, -0.0008026200000000 ] - [ 0.0028007400000000, -0.0003852000000000, 0.0012897800000000 ] - [ 0.0023736900000000, 0.0003095400000000, 0.0008004400000000 ] - [ 0.0035443400000000, -0.0022062000000000, -0.0007976300000000 ] - [ 0.0035433300000000, -0.0021969600000000, -0.0007758000000000 ] - [ 0.0023412200000000, -0.0001225800000000, 0.0006723700000000 ] - [ 0.0023335100000000, -0.0001046500000000, 0.0006623400000000 ] - [ 0.0167862600000000, -0.0061313100000000, 0.0017829000000000 ] - [ -0.0014115000000000, 0.0001605800000000, 0.0005091800000000 ] - [ 0.0005053900000000, -0.0024271000000000, -0.0012968900000000 ] - [ 0.0003820900000000, -0.0023052400000000, -0.0015079500000000 ] - [ -0.0013185700000000, 0.0001733100000000, 0.0003434200000000 ] - [ -0.0013160400000000, 0.0001803800000000, 0.0003466200000000 ] - [ 0.0004370300000000, 0.0023350200000000, -0.0015197500000000 ] - [ 0.0004310500000000, 0.0024434100000000, -0.0013971800000000 ] - [ -0.0051056000000000, -0.0001899700000000, -0.0024910200000000 ] - [ -0.0054365100000000, 0.0013128000000000, -0.0040219800000000 ] - [ -0.0003658200000000, -0.0020738200000000, -0.0020477900000000 ] - [ -0.0010712000000000, 0.0004235400000000, -0.0003637400000000 ] - [ 0.0009048500000000, 0.0013812800000000, 0.0023823000000000 ] - [ 0.0009649400000000, 0.0012771500000000, 0.0024214600000000 ] - [ -0.0052672800000000, -0.0014096700000000, -0.0038367800000000 ] - [ -0.0052680100000000, -0.0014139000000000, -0.0038379700000000 ] - [ -0.0009224400000000, -0.0006248700000000, -0.0004451600000000 ] - [ -0.0009234900000000, -0.0006300200000000, -0.0004452700000000 ] - [ -0.0006610700000000, 0.0015478900000000, -0.0020111800000000 ] - [ -0.0006534200000000, 0.0014848800000000, -0.0021362400000000 ] - [ 0.0010033600000000, -0.0013038700000000, 0.0023866600000000 ] - [ 0.0010145100000000, -0.0013261300000000, 0.0023727500000000 ] - [ 0.0058617600000000, 0.0014737400000000, 0.0071630100000000 ] - [ 0.0037690000000000, 0.0000893300000000, 0.0029788800000000 ] - [ -0.0006506100000000, -0.0015075200000000, -0.0020779300000000 ] - [ -0.0006424100000000, -0.0015332500000000, -0.0020710800000000 ] - [ 0.0039666400000000, -0.0002429200000000, -0.0026328500000000 ] - [ 0.0013252700000000, -0.0006286400000000, 0.0015792400000000 ] - [ 0.0037134800000000, -0.0003107200000000, 0.0030904500000000 ] - [ 0.0037130800000000, -0.0003147700000000, 0.0030962900000000 ] - [ 0.0012697800000000, 0.0004848500000000, 0.0016008300000000 ] - [ 0.0012684300000000, 0.0004842200000000, 0.0015932600000000 ] - [ 0.0015489600000000, 0.0015499400000000, -0.0026437900000000 ] - [ -0.0007695100000000, -0.0000136200000000, -0.0024195200000000 ] - [ -0.0024676800000000, -0.0005882500000000, -0.0009016200000000 ] - [ -0.0026364300000000, -0.0007926500000000, -0.0008245000000000 ] - [ -0.0007567000000000, -0.0000909800000000, -0.0023976900000000 ] - [ -0.0007580600000000, -0.0000884600000000, -0.0023980700000000 ] - [ -0.0025967200000000, 0.0007188100000000, -0.0007887200000000 ] - [ -0.0026055200000000, 0.0007410600000000, -0.0008259400000000 ] - [ 0.0016534000000000, 0.0007451100000000, 0.0008596700000000 ] - [ 0.0016647300000000, 0.0007552300000000, 0.0008942100000000 ] - [ 0.0034241100000000, 0.0001265300000000, 0.0006395500000000 ] - [ 0.0016557200000000, -0.0001645400000000, -0.0002443500000000 ] - [ 0.0046133100000000, 0.0006538900000000, -0.0001441800000000 ] - [ 0.0016100100000000, -0.0005657000000000, 0.0000293000000000 ] - [ 0.0032477800000000, -0.0012578400000000, 0.0029293100000000 ] - [ 0.0032538100000000, -0.0012839000000000, 0.0030687800000000 ] - [ 0.0017108800000000, -0.0006877200000000, 0.0009179300000000 ] - [ 0.0016468400000000, -0.0007766400000000, 0.0008858000000000 ] - [ 0.0014034300000000, -0.0000089600000000, -0.0000149300000000 ] - [ 0.0014043000000000, -0.0000136100000000, -0.0000184600000000 ] - [ 0.0013422300000000, 0.0004649800000000, -0.0000733000000000 ] - [ 0.0013433700000000, 0.0004596800000000, -0.0000763300000000 ] - [ 0.0031565400000000, 0.0012418100000000, 0.0030134700000000 ] - [ 0.0031414900000000, 0.0012261000000000, 0.0029914900000000 ] - [ -0.0013428400000000, -0.0013300100000000, -0.0010773000000000 ] - [ -0.0013294500000000, -0.0013294800000000, -0.0012679100000000 ] - [ -0.0013597700000000, 0.0013242800000000, -0.0011458100000000 ] - [ -0.0013669100000000, 0.0012905000000000, -0.0011657300000000 ] - [ -0.0003865100000000, 0.0002111800000000, -0.0020411600000000 ] - [ -0.0009282800000000, 0.0003113900000000, -0.0010060300000000 ] - [ -0.0009646800000000, -0.0009725800000000, 0.0008374400000000 ] - [ -0.0014012000000000, -0.0004503000000000, -0.0003612700000000 ] - [ -0.0009390500000000, -0.0004986700000000, -0.0010090600000000 ] - [ -0.0009386400000000, -0.0004932700000000, -0.0010027500000000 ] - [ -0.0013907500000000, 0.0002876200000000, -0.0002635600000000 ] - [ -0.0013911800000000, 0.0002991200000000, -0.0002704900000000 ] - [ -0.0353811000000000, 0.0105105100000000, -0.0019145200000000 ] - [ -0.0023085400000000, -0.0013153900000000, -0.0005371600000000 ] - [ -0.0021399400000000, -0.0007458100000000, 0.0011692400000000 ] - [ -0.0019692500000000, -0.0008039900000000, 0.0010887300000000 ] - [ -0.0022907600000000, 0.0011879200000000, -0.0005002100000000 ] - [ -0.0022887000000000, 0.0011875100000000, -0.0005014500000000 ] - [ -0.0019958800000000, 0.0007684100000000, 0.0011067700000000 ] - [ -0.0019910200000000, 0.0007591400000000, 0.0010768600000000 ] - [ -0.0004897000000000, 0.0010086500000000, 0.0002001900000000 ] - [ -0.0004925000000000, 0.0009875400000000, 0.0002304900000000 ] - [ -0.0005412100000000, -0.0009624900000000, 0.0002262400000000 ] - [ -0.0004856600000000, -0.0010314900000000, 0.0001925100000000 ]- atom: 93 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0007533500000000, -0.0006515400000000, 0.0009847000000000 ] - [ 0.0010988100000000, 0.0000154100000000, 0.0008736900000000 ] - [ 0.0007948300000000, 0.0000972400000000, -0.0000670500000000 ] - [ 0.0005182900000000, -0.0005271900000000, -0.0000654800000000 ] - [ 0.0006603100000000, 0.0005014200000000, 0.0009179200000000 ] - [ 0.0006546500000000, 0.0004779000000000, 0.0009065400000000 ] - [ 0.0003427400000000, 0.0004737700000000, 0.0000250500000000 ] - [ 0.0003463700000000, 0.0005021900000000, 0.0000149600000000 ] - [ -0.0006511400000000, -0.0009427800000000, -0.0002237500000000 ] - [ -0.0006123400000000, -0.0008727200000000, 0.0001068200000000 ] - [ -0.0003962300000000, -0.0002147800000000, 0.0008442100000000 ] - [ -0.0003348700000000, 0.0005554100000000, 0.0009831600000000 ] - [ -0.0006455100000000, 0.0009863100000000, -0.0002119900000000 ] - [ -0.0006423600000000, 0.0008513600000000, -0.0001459100000000 ] - [ -0.0002350300000000, 0.0007712300000000, 0.0010483200000000 ] - [ -0.0002332900000000, 0.0007628200000000, 0.0010465800000000 ] - [ 0.0025856700000000, 0.0028472300000000, 0.0000252500000000 ] - [ 0.0035083000000000, 0.0019152500000000, -0.0007029400000000 ] - [ 0.0018750000000000, 0.0006056300000000, 0.0001293000000000 ] - [ 0.0023040400000000, -0.0000829200000000, 0.0006097700000000 ] - [ 0.0035485700000000, -0.0021970600000000, -0.0007082100000000 ] - [ 0.0035495800000000, -0.0022062000000000, -0.0007298600000000 ] - [ 0.0023370300000000, -0.0001028900000000, 0.0007368700000000 ] - [ 0.0023445800000000, -0.0001205300000000, 0.0007473000000000 ] - [ -0.0185367600000000, 0.0054408800000000, -0.0009251300000000 ] - [ -0.0012238900000000, -0.0005108700000000, 0.0002731300000000 ] - [ 0.0003438200000000, -0.0023654300000000, -0.0014954300000000 ] - [ 0.0004658700000000, -0.0024863800000000, -0.0012847700000000 ] - [ -0.0013176900000000, 0.0001798400000000, 0.0004371200000000 ] - [ -0.0013202600000000, 0.0001726800000000, 0.0004339800000000 ] - [ 0.0004112800000000, 0.0024570900000000, -0.0012732500000000 ] - [ 0.0004173000000000, 0.0023493000000000, -0.0013954500000000 ] - [ -0.0054413800000000, 0.0030091900000000, -0.0052104500000000 ] - [ -0.0051018300000000, 0.0015133200000000, -0.0036859300000000 ] - [ -0.0014884000000000, 0.0033071300000000, 0.0011194600000000 ] - [ -0.0007735900000000, 0.0008252100000000, -0.0005560200000000 ] - [ 0.0011125400000000, 0.0012570300000000, 0.0023471200000000 ] - [ 0.0010528700000000, 0.0013604000000000, 0.0023077700000000 ] - [ -0.0052707100000000, -0.0014171800000000, -0.0038703400000000 ] - [ -0.0052700100000000, -0.0014130300000000, -0.0038692100000000 ] - [ -0.0009213100000000, -0.0006253800000000, -0.0004742700000000 ] - [ -0.0009202800000000, -0.0006203100000000, -0.0004741000000000 ] - [ -0.0006253600000000, 0.0014650800000000, -0.0021982500000000 ] - [ -0.0006326800000000, 0.0015274700000000, -0.0020737000000000 ] - [ 0.0010148000000000, -0.0013335900000000, 0.0023426600000000 ] - [ 0.0010037400000000, -0.0013114600000000, 0.0023565100000000 ] - [ 0.0015936300000000, -0.0008518200000000, -0.0009643200000000 ] - [ 0.0036623600000000, 0.0005213900000000, 0.0031683500000000 ] - [ -0.0006354700000000, -0.0015050000000000, -0.0021312900000000 ] - [ -0.0006435200000000, -0.0014793400000000, -0.0021384100000000 ] - [ -0.0013982900000000, -0.0007193300000000, 0.0057384400000000 ] - [ 0.0012094700000000, -0.0003343400000000, 0.0015829400000000 ] - [ 0.0037178400000000, -0.0003011100000000, 0.0030577300000000 ] - [ 0.0037182200000000, -0.0002971000000000, 0.0030519300000000 ] - [ 0.0012652200000000, 0.0004765500000000, 0.0015611700000000 ] - [ 0.0012665700000000, 0.0004771700000000, 0.0015687400000000 ] - [ -0.0030725300000000, -0.0013438200000000, -0.0021783600000000 ] - [ -0.0007466900000000, 0.0001979900000000, -0.0023980000000000 ] - [ -0.0027372500000000, -0.0008796100000000, -0.0007389700000000 ] - [ -0.0025693100000000, -0.0006763700000000, -0.0008159200000000 ] - [ -0.0007587600000000, -0.0000943200000000, -0.0024196600000000 ] - [ -0.0007572000000000, -0.0000967700000000, -0.0024195000000000 ] - [ -0.0026090100000000, 0.0007497600000000, -0.0008513100000000 ] - [ -0.0026002100000000, 0.0007275400000000, -0.0008142400000000 ] - [ 0.0016740600000000, 0.0007388600000000, 0.0008572000000000 ] - [ 0.0016629900000000, 0.0007286200000000, 0.0008226700000000 ] - [ -0.0006233600000000, -0.0001130400000000, -0.0006813100000000 ] - [ 0.0011458600000000, 0.0001895800000000, 0.0001771600000000 ] - [ -0.0019399200000000, -0.0016153800000000, -0.0000676900000000 ] - [ 0.0010866800000000, -0.0003625700000000, -0.0002086700000000 ] - [ 0.0030404900000000, -0.0012073400000000, 0.0030303100000000 ] - [ 0.0030332800000000, -0.0011823500000000, 0.0028905400000000 ] - [ 0.0016171200000000, -0.0007957700000000, 0.0007990400000000 ] - [ 0.0016808400000000, -0.0007075400000000, 0.0008313800000000 ] - [ 0.0013966100000000, -0.0000177500000000, -0.0000508600000000 ] - [ 0.0013956600000000, -0.0000131800000000, -0.0000473500000000 ] - [ 0.0013529900000000, 0.0004621500000000, -0.0001067100000000 ] - [ 0.0013518100000000, 0.0004673500000000, -0.0001036400000000 ] - [ 0.0031301100000000, 0.0012242400000000, 0.0029457900000000 ] - [ 0.0031451300000000, 0.0012398800000000, 0.0029676800000000 ] - [ -0.0013929100000000, -0.0012675500000000, -0.0012686000000000 ] - [ -0.0014068500000000, -0.0012682200000000, -0.0010792800000000 ] - [ -0.0013764100000000, 0.0012733900000000, -0.0012008400000000 ] - [ -0.0013693700000000, 0.0013071900000000, -0.0011810900000000 ] - [ -0.0014803200000000, 0.0007919600000000, -0.0000038200000000 ] - [ -0.0009427300000000, 0.0006889800000000, -0.0010385000000000 ] - [ -0.0018120200000000, 0.0003832100000000, -0.0014037300000000 ] - [ -0.0013815000000000, -0.0001386200000000, -0.0002078300000000 ] - [ -0.0009320800000000, -0.0005030700000000, -0.0010353900000000 ] - [ -0.0009325000000000, -0.0005085500000000, -0.0010416900000000 ] - [ -0.0013921500000000, 0.0003001700000000, -0.0003044000000000 ] - [ -0.0013917100000000, 0.0002886800000000, -0.0002975200000000 ] - [ 0.0298876800000000, -0.0125165700000000, 0.0008219500000000 ] - [ -0.0022750000000000, -0.0010621500000000, -0.0004907400000000 ] - [ -0.0018348400000000, -0.0007775400000000, 0.0009831800000000 ] - [ -0.0020039500000000, -0.0007190900000000, 0.0010617900000000 ] - [ -0.0022931300000000, 0.0011890200000000, -0.0005273300000000 ] - [ -0.0022951200000000, 0.0011894100000000, -0.0005261300000000 ] - [ -0.0019776000000000, 0.0007547500000000, 0.0010438500000000 ] - [ -0.0019824700000000, 0.0007639200000000, 0.0010735700000000 ] - [ -0.0004924300000000, 0.0009901100000000, 0.0001950500000000 ] - [ -0.0004897800000000, 0.0010110100000000, 0.0001647200000000 ] - [ -0.0004411700000000, -0.0010359500000000, 0.0001686700000000 ] - [ -0.0004965200000000, -0.0009672800000000, 0.0002025400000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009454600000000, -0.0007937000000000, 0.0014142200000000 ] - [ 0.0008988500000000, -0.0005002000000000, 0.0005222900000000 ] - [ 0.0005954800000000, -0.0001911400000000, 0.0003640100000000 ] - [ 0.0007581300000000, -0.0009978600000000, -0.0005992800000000 ] - [ 0.0006685600000000, 0.0005203100000000, 0.0008757300000000 ] - [ 0.0006497200000000, 0.0004646600000000, 0.0008362400000000 ] - [ 0.0003429300000000, 0.0004780900000000, -0.0000159700000000 ] - [ 0.0003509700000000, 0.0004884200000000, -0.0000475900000000 ] - [ -0.0006597200000000, -0.0010123100000000, -0.0003547200000000 ] - [ -0.0006813500000000, -0.0008207900000000, 0.0001428500000000 ] - [ -0.0009123400000000, -0.0025102500000000, 0.0012809700000000 ] - [ -0.0026263900000000, 0.0079918300000000, 0.0018100700000000 ] - [ -0.0006729500000000, 0.0009410000000000, -0.0003103800000000 ] - [ -0.0006309700000000, 0.0008583800000000, -0.0001283400000000 ] - [ -0.0002362000000000, 0.0007704100000000, 0.0009997200000000 ] - [ -0.0002321300000000, 0.0007604200000000, 0.0009970800000000 ] - [ 0.0034758800000000, 0.0041928400000000, -0.0000045500000000 ] - [ 0.0035190200000000, 0.0016254400000000, -0.0004999900000000 ] - [ 0.0022106900000000, 0.0011796300000000, 0.0010637600000000 ] - [ 0.0022977000000000, -0.0003673200000000, 0.0005632700000000 ] - [ 0.0035370500000000, -0.0021828900000000, -0.0007677400000000 ] - [ 0.0035521700000000, -0.0022190700000000, -0.0007768500000000 ] - [ 0.0023263400000000, -0.0000838200000000, 0.0006686700000000 ] - [ 0.0023483400000000, -0.0001431300000000, 0.0006985600000000 ] - [ -0.0062238100000000, 0.0048992300000000, 0.0004653200000000 ] - [ -0.0012598100000000, -0.0013870100000000, 0.0003579700000000 ] - [ 0.0004592900000000, -0.0021073400000000, -0.0015680800000000 ] - [ 0.0004448700000000, -0.0026674600000000, -0.0012856100000000 ] - [ -0.0013137600000000, 0.0001892800000000, 0.0003608100000000 ] - [ -0.0013222100000000, 0.0001628600000000, 0.0003677200000000 ] - [ 0.0004918700000000, 0.0026239900000000, -0.0013955700000000 ] - [ 0.0003726900000000, 0.0022282400000000, -0.0014345700000000 ] - [ -0.0070200600000000, 0.0040130900000000, -0.0064300100000000 ] - [ -0.0050369900000000, 0.0016174000000000, -0.0037140800000000 ] - [ -0.0040670100000000, 0.0058486200000000, 0.0026848800000000 ] - [ -0.0006383400000000, 0.0009959300000000, -0.0005880700000000 ] - [ 0.0009898600000000, 0.0012332700000000, 0.0025229400000000 ] - [ 0.0010274900000000, 0.0014047100000000, 0.0022393200000000 ] - [ -0.0052701400000000, -0.0014180900000000, -0.0038435700000000 ] - [ -0.0052672800000000, -0.0014069800000000, -0.0038435300000000 ] - [ -0.0009227100000000, -0.0006316000000000, -0.0004491500000000 ] - [ -0.0009226400000000, -0.0006214800000000, -0.0004541400000000 ] - [ -0.0006380600000000, 0.0013328300000000, -0.0022642800000000 ] - [ -0.0006574200000000, 0.0016325500000000, -0.0019721400000000 ] - [ 0.0010196900000000, -0.0013333500000000, 0.0023775800000000 ] - [ 0.0009990700000000, -0.0013021400000000, 0.0023709700000000 ] - [ 0.0047029000000000, -0.0004811900000000, 0.0039206800000000 ] - [ 0.0037133400000000, 0.0007637500000000, 0.0032414100000000 ] - [ -0.0006572700000000, -0.0015501700000000, -0.0020658700000000 ] - [ -0.0006329500000000, -0.0014701800000000, -0.0021125700000000 ] - [ 0.0013283300000000, -0.0014648400000000, 0.0016177300000000 ] - [ 0.0013174600000000, 0.0000279600000000, 0.0014212200000000 ] - [ 0.0037148500000000, -0.0003173800000000, 0.0030957000000000 ] - [ 0.0037128500000000, -0.0003038000000000, 0.0030769100000000 ] - [ 0.0012694100000000, 0.0004764000000000, 0.0015848100000000 ] - [ 0.0012675400000000, 0.0004881000000000, 0.0015947200000000 ] - [ -0.0016035300000000, -0.0009410700000000, -0.0024095300000000 ] - [ -0.0005791800000000, 0.0006374600000000, -0.0025233300000000 ] - [ -0.0027171900000000, -0.0009466700000000, -0.0009093500000000 ] - [ -0.0025435500000000, -0.0005054500000000, -0.0006679800000000 ] - [ -0.0007570700000000, -0.0000935100000000, -0.0024025800000000 ] - [ -0.0007577800000000, -0.0000897900000000, -0.0024027000000000 ] - [ -0.0025942700000000, 0.0007172500000000, -0.0008367500000000 ] - [ -0.0026142200000000, 0.0007441000000000, -0.0007918000000000 ] - [ 0.0016626700000000, 0.0007536700000000, 0.0009161100000000 ] - [ 0.0016549200000000, 0.0007407600000000, 0.0008202300000000 ] - [ 0.0016500400000000, 0.0004603300000000, -0.0008514000000000 ] - [ 0.0009696100000000, 0.0004992800000000, 0.0003197000000000 ] - [ 0.0027148000000000, 0.0005392100000000, 0.0008728500000000 ] - [ 0.0009595500000000, -0.0000500600000000, -0.0004672200000000 ] - [ 0.0032578200000000, -0.0012877900000000, 0.0031295600000000 ] - [ 0.0030370300000000, -0.0011352300000000, 0.0028253400000000 ] - [ 0.0016032800000000, -0.0008393600000000, 0.0009902900000000 ] - [ 0.0017008100000000, -0.0006213300000000, 0.0007491400000000 ] - [ 0.0014030200000000, -0.0000174300000000, -0.0000248200000000 ] - [ 0.0014029200000000, -0.0000065400000000, -0.0000206200000000 ] - [ 0.0013445900000000, 0.0004589600000000, -0.0000788500000000 ] - [ 0.0013460400000000, 0.0004669800000000, -0.0000849600000000 ] - [ 0.0031419900000000, 0.0012197400000000, 0.0030121900000000 ] - [ 0.0031529400000000, 0.0012456000000000, 0.0029714400000000 ] - [ -0.0014328400000000, -0.0013236300000000, -0.0013001200000000 ] - [ -0.0013403000000000, -0.0012331600000000, -0.0010313600000000 ] - [ -0.0013628900000000, 0.0012585400000000, -0.0011979800000000 ] - [ -0.0013738300000000, 0.0013323900000000, -0.0011328200000000 ] - [ -0.0014549300000000, 0.0005746500000000, 0.0001674700000000 ] - [ -0.0009745800000000, 0.0008149600000000, -0.0011938400000000 ] - [ -0.0018925100000000, 0.0001377300000000, -0.0018360700000000 ] - [ -0.0014744900000000, 0.0000249200000000, -0.0001828000000000 ] - [ -0.0009367600000000, -0.0004950900000000, -0.0010033000000000 ] - [ -0.0009371300000000, -0.0005020400000000, -0.0010207700000000 ] - [ -0.0013934200000000, 0.0002939200000000, -0.0002824600000000 ] - [ -0.0013895300000000, 0.0002934000000000, -0.0002664400000000 ] - [ 0.0092460700000000, -0.0245370800000000, -0.0042130000000000 ] - [ -0.0024186200000000, -0.0007391600000000, -0.0005130500000000 ] - [ -0.0019830400000000, -0.0009900300000000, 0.0012357800000000 ] - [ -0.0020263000000000, -0.0006512000000000, 0.0010496800000000 ] - [ -0.0022915600000000, 0.0011842200000000, -0.0005054900000000 ] - [ -0.0022909900000000, 0.0011901400000000, -0.0005071900000000 ] - [ -0.0020069600000000, 0.0007261900000000, 0.0010631900000000 ] - [ -0.0019743300000000, 0.0007946800000000, 0.0011002000000000 ] - [ -0.0004893100000000, 0.0009717600000000, 0.0002612600000000 ] - [ -0.0004822800000000, 0.0010255300000000, 0.0001627700000000 ] - [ -0.0004537600000000, -0.0010990700000000, 0.0001999100000000 ] - [ -0.0005072800000000, -0.0009258600000000, 0.0001999800000000 ]- atom: 93 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003704300000000, -0.0001925400000000, 0.0003391200000000 ] - [ 0.0004212700000000, -0.0004753600000000, 0.0012292500000000 ] - [ 0.0001000200000000, -0.0007695200000000, -0.0003867200000000 ] - [ -0.0000684600000000, 0.0000208300000000, 0.0005760800000000 ] - [ 0.0006487500000000, 0.0004615600000000, 0.0008770800000000 ] - [ 0.0006673700000000, 0.0005160600000000, 0.0009166000000000 ] - [ 0.0003498200000000, 0.0004921700000000, -0.0000094400000000 ] - [ 0.0003418500000000, 0.0004821600000000, 0.0000221800000000 ] - [ -0.0006355700000000, -0.0008013600000000, -0.0000334100000000 ] - [ -0.0006138700000000, -0.0009886700000000, -0.0005284900000000 ] - [ 0.0004456500000000, 0.0009795500000000, 0.0007516300000000 ] - [ 0.0020094800000000, -0.0091652200000000, 0.0002639600000000 ] - [ -0.0006224500000000, 0.0008710300000000, -0.0000781100000000 ] - [ -0.0006641700000000, 0.0009516300000000, -0.0002594400000000 ] - [ -0.0002318900000000, 0.0007615000000000, 0.0010331800000000 ] - [ -0.0002359300000000, 0.0007713000000000, 0.0010357600000000 ] - [ 0.0036120500000000, 0.0002120800000000, -0.0015274400000000 ] - [ 0.0035738900000000, 0.0027757600000000, -0.0010010200000000 ] - [ 0.0024642000000000, -0.0009529900000000, 0.0003600000000000 ] - [ 0.0023797500000000, 0.0005902700000000, 0.0008438600000000 ] - [ 0.0035556000000000, -0.0022206800000000, -0.0007378400000000 ] - [ 0.0035405200000000, -0.0021845700000000, -0.0007289700000000 ] - [ 0.0023517200000000, -0.0001422500000000, 0.0007405700000000 ] - [ 0.0023297400000000, -0.0000825800000000, 0.0007117900000000 ] - [ 0.0036759200000000, -0.0052365300000000, 0.0003232700000000 ] - [ -0.0013752900000000, 0.0010288600000000, 0.0004224600000000 ] - [ 0.0003883500000000, -0.0026848000000000, -0.0012274000000000 ] - [ 0.0004031300000000, -0.0021255900000000, -0.0015051300000000 ] - [ -0.0013227600000000, 0.0001633100000000, 0.0004198200000000 ] - [ -0.0013144600000000, 0.0001895600000000, 0.0004130400000000 ] - [ 0.0003560700000000, 0.0021686100000000, -0.0013961500000000 ] - [ 0.0004749900000000, 0.0025632400000000, -0.0013590700000000 ] - [ -0.0034867700000000, -0.0012222200000000, -0.0012396500000000 ] - [ -0.0055002700000000, 0.0012073200000000, -0.0039914800000000 ] - [ 0.0022932900000000, -0.0046967000000000, -0.0036669400000000 ] - [ -0.0012034200000000, 0.0002571000000000, -0.0003335800000000 ] - [ 0.0010266600000000, 0.0014054200000000, 0.0022083500000000 ] - [ 0.0009902000000000, 0.0012321400000000, 0.0024892000000000 ] - [ -0.0052683700000000, -0.0014088100000000, -0.0038629800000000 ] - [ -0.0052712300000000, -0.0014199200000000, -0.0038631100000000 ] - [ -0.0009214000000000, -0.0006187900000000, -0.0004704700000000 ] - [ -0.0009214800000000, -0.0006288900000000, -0.0004654000000000 ] - [ -0.0006489200000000, 0.0016794300000000, -0.0019467400000000 ] - [ -0.0006288700000000, 0.0013797700000000, -0.0022368600000000 ] - [ 0.0009981600000000, -0.0013044300000000, 0.0023518200000000 ] - [ 0.0010186500000000, -0.0013353400000000, 0.0023587200000000 ] - [ 0.0027181300000000, 0.0010801700000000, 0.0022111000000000 ] - [ 0.0037168900000000, -0.0001497800000000, 0.0029084600000000 ] - [ -0.0006292100000000, -0.0014626900000000, -0.0021434500000000 ] - [ -0.0006533800000000, -0.0015421100000000, -0.0020977700000000 ] - [ 0.0011842500000000, 0.0004990900000000, 0.0015686600000000 ] - [ 0.0012169300000000, -0.0009872000000000, 0.0017390000000000 ] - [ 0.0037161600000000, -0.0002950600000000, 0.0030531800000000 ] - [ 0.0037181700000000, -0.0003086400000000, 0.0030718300000000 ] - [ 0.0012653900000000, 0.0004845200000000, 0.0015770100000000 ] - [ 0.0012673000000000, 0.0004728000000000, 0.0015672500000000 ] - [ 0.0000767700000000, 0.0011196700000000, -0.0024081800000000 ] - [ -0.0009351100000000, -0.0004491300000000, -0.0022943600000000 ] - [ -0.0024899800000000, -0.0005240300000000, -0.0007298000000000 ] - [ -0.0026617800000000, -0.0009627000000000, -0.0009722900000000 ] - [ -0.0007583600000000, -0.0000923800000000, -0.0024148400000000 ] - [ -0.0007574000000000, -0.0000961200000000, -0.0024149700000000 ] - [ -0.0026115000000000, 0.0007509000000000, -0.0008034600000000 ] - [ -0.0025913700000000, 0.0007236300000000, -0.0008478100000000 ] - [ 0.0016649200000000, 0.0007300000000000, 0.0008012100000000 ] - [ 0.0016730000000000, 0.0007421700000000, 0.0008958500000000 ] - [ 0.0011401100000000, -0.0004335200000000, 0.0007837100000000 ] - [ 0.0018257500000000, -0.0004690500000000, -0.0003797900000000 ] - [ -0.0000414400000000, -0.0014675200000000, -0.0010570500000000 ] - [ 0.0017314000000000, -0.0008749000000000, 0.0002816300000000 ] - [ 0.0030304300000000, -0.0011769200000000, 0.0028316300000000 ] - [ 0.0032487900000000, -0.0013313800000000, 0.0031327000000000 ] - [ 0.0017241700000000, -0.0006452600000000, 0.0007260800000000 ] - [ 0.0016271200000000, -0.0008623000000000, 0.0009676900000000 ] - [ 0.0013971800000000, -0.0000094100000000, -0.0000404100000000 ] - [ 0.0013971900000000, -0.0000202700000000, -0.0000446200000000 ] - [ 0.0013507200000000, 0.0004679800000000, -0.0001014500000000 ] - [ 0.0013492200000000, 0.0004599900000000, -0.0000952600000000 ] - [ 0.0031446700000000, 0.0012460300000000, 0.0029471200000000 ] - [ 0.0031339900000000, 0.0012204200000000, 0.0029881000000000 ] - [ -0.0013026300000000, -0.0012730200000000, -0.0010480100000000 ] - [ -0.0013962600000000, -0.0013655300000000, -0.0013144100000000 ] - [ -0.0013733000000000, 0.0013387100000000, -0.0011490100000000 ] - [ -0.0013624500000000, 0.0012655900000000, -0.0012141500000000 ] - [ -0.0004213000000000, 0.0004266600000000, -0.0022000100000000 ] - [ -0.0008965600000000, 0.0001890800000000, -0.0008506000000000 ] - [ -0.0008968200000000, -0.0007217400000000, 0.0012503400000000 ] - [ -0.0013075800000000, -0.0006100200000000, -0.0003851300000000 ] - [ -0.0009343600000000, -0.0005072400000000, -0.0010405500000000 ] - [ -0.0009340700000000, -0.0005006000000000, -0.0010232200000000 ] - [ -0.0013897800000000, 0.0002936100000000, -0.0002854900000000 ] - [ -0.0013936600000000, 0.0002939100000000, -0.0003013900000000 ] - [ -0.0137778500000000, 0.0219438400000000, 0.0031697400000000 ] - [ -0.0021656700000000, -0.0016362300000000, -0.0005145600000000 ] - [ -0.0019908600000000, -0.0005343700000000, 0.0009167900000000 ] - [ -0.0019475600000000, -0.0008712100000000, 0.0011003100000000 ] - [ -0.0022927900000000, 0.0011920700000000, -0.0005219900000000 ] - [ -0.0022933000000000, 0.0011861600000000, -0.0005203100000000 ] - [ -0.0019669600000000, 0.0007963600000000, 0.0010872800000000 ] - [ -0.0019997000000000, 0.0007279200000000, 0.0010506700000000 ] - [ -0.0004931200000000, 0.0010264300000000, 0.0001339700000000 ] - [ -0.0005004700000000, 0.0009725500000000, 0.0002316700000000 ] - [ -0.0005286000000000, -0.0009004100000000, 0.0001940200000000 ] - [ -0.0004754200000000, -0.0010724000000000, 0.0001953800000000 ]- atom: 93 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0004192700000000, -0.0002243700000000, 0.0007656900000000 ] - [ 0.0007446400000000, -0.0013445400000000, 0.0007397400000000 ] - [ 0.0002580900000000, 0.0002499900000000, 0.0003968800000000 ] - [ 0.0005097400000000, -0.0008194800000000, 0.0002090700000000 ] - [ 0.0006605400000000, 0.0005550800000000, 0.0005884300000000 ] - [ 0.0006473900000000, 0.0004510100000000, 0.0006039400000000 ] - [ 0.0003592500000000, 0.0004963500000000, -0.0002647700000000 ] - [ 0.0003519500000000, 0.0004489600000000, -0.0002700000000000 ] - [ -0.0006569100000000, -0.0011411300000000, -0.0003642100000000 ] - [ -0.0006233500000000, -0.0006981100000000, -0.0004972400000000 ] - [ -0.0001501200000000, -0.0005475300000000, 0.0018888700000000 ] - [ -0.0004200900000000, -0.0000304000000000, 0.0021357400000000 ] - [ -0.0006591200000000, 0.0008081500000000, -0.0004649300000000 ] - [ -0.0006708300000000, 0.0009952600000000, -0.0003949800000000 ] - [ -0.0002343100000000, 0.0007646400000000, 0.0007773500000000 ] - [ -0.0002306500000000, 0.0007579700000000, 0.0007795500000000 ] - [ 0.0038145200000000, 0.0031925100000000, 0.0031224800000000 ] - [ 0.0035904100000000, 0.0023163200000000, -0.0004202300000000 ] - [ 0.0026319700000000, 0.0007516900000000, -0.0010493700000000 ] - [ 0.0023201000000000, -0.0000129600000000, 0.0008578200000000 ] - [ 0.0035310900000000, -0.0021936200000000, -0.0010338200000000 ] - [ 0.0035372200000000, -0.0022075200000000, -0.0009895200000000 ] - [ 0.0023286700000000, -0.0001346900000000, 0.0003913600000000 ] - [ 0.0023437800000000, -0.0001209100000000, 0.0004635200000000 ] - [ -0.0014837800000000, 0.0001491400000000, 0.0044450300000000 ] - [ -0.0013300900000000, -0.0002694900000000, 0.0011826800000000 ] - [ 0.0004901200000000, -0.0024632800000000, -0.0020017000000000 ] - [ 0.0003655200000000, -0.0023611600000000, -0.0015730500000000 ] - [ -0.0013146800000000, 0.0001785100000000, 0.0000284500000000 ] - [ -0.0013158200000000, 0.0001729400000000, 0.0000624100000000 ] - [ 0.0004688900000000, 0.0024749700000000, -0.0018914700000000 ] - [ 0.0004310500000000, 0.0023525800000000, -0.0016376000000000 ] - [ -0.0039408400000000, -0.0006427200000000, -0.0027922400000000 ] - [ -0.0052972600000000, 0.0015331200000000, -0.0041395900000000 ] - [ -0.0022618700000000, 0.0028071400000000, 0.0000009200000000 ] - [ -0.0008586600000000, 0.0005539600000000, -0.0007345000000000 ] - [ 0.0008613300000000, 0.0014917500000000, 0.0024930900000000 ] - [ 0.0009820100000000, 0.0012326500000000, 0.0023695300000000 ] - [ -0.0052628300000000, -0.0014026300000000, -0.0037190900000000 ] - [ -0.0052614900000000, -0.0013974500000000, -0.0037355300000000 ] - [ -0.0009303800000000, -0.0006432200000000, -0.0003449500000000 ] - [ -0.0009320000000000, -0.0006424000000000, -0.0003571900000000 ] - [ -0.0005579700000000, 0.0014951000000000, -0.0019196400000000 ] - [ -0.0006826100000000, 0.0016143500000000, -0.0019949700000000 ] - [ 0.0010002800000000, -0.0012827000000000, 0.0025164400000000 ] - [ 0.0010108600000000, -0.0013027800000000, 0.0024595100000000 ] - [ 0.0079845300000000, 0.0012689200000000, 0.0071991000000000 ] - [ 0.0037575700000000, 0.0001393600000000, 0.0028599200000000 ] - [ -0.0006410000000000, -0.0015970700000000, -0.0018666500000000 ] - [ -0.0006279500000000, -0.0015530800000000, -0.0019964000000000 ] - [ -0.0030314600000000, -0.0003961200000000, 0.0048767200000000 ] - [ 0.0012204700000000, -0.0003665300000000, 0.0013878000000000 ] - [ 0.0036908700000000, -0.0003573000000000, 0.0032348000000000 ] - [ 0.0036991800000000, -0.0003631300000000, 0.0032162400000000 ] - [ 0.0012826100000000, 0.0005052800000000, 0.0017090200000000 ] - [ 0.0012773400000000, 0.0005133100000000, 0.0016978200000000 ] - [ -0.0007317300000000, 0.0001830900000000, -0.0027017500000000 ] - [ -0.0007913600000000, 0.0002068600000000, -0.0026044500000000 ] - [ -0.0026691500000000, -0.0008098900000000, -0.0006788600000000 ] - [ -0.0025708200000000, -0.0006573900000000, -0.0007806400000000 ] - [ -0.0007571700000000, -0.0000728100000000, -0.0023242700000000 ] - [ -0.0007568200000000, -0.0000726500000000, -0.0023279600000000 ] - [ -0.0025723600000000, 0.0006447800000000, -0.0006855600000000 ] - [ -0.0026242300000000, 0.0007275100000000, -0.0007363100000000 ] - [ 0.0016132900000000, 0.0008261000000000, 0.0010303100000000 ] - [ 0.0016717800000000, 0.0007416000000000, 0.0009374300000000 ] - [ 0.0004060700000000, -0.0002998100000000, -0.0002279800000000 ] - [ 0.0013673400000000, 0.0001030500000000, -0.0003116800000000 ] - [ 0.0027002200000000, -0.0001477200000000, -0.0005342400000000 ] - [ 0.0013081900000000, -0.0004344300000000, -0.0004445500000000 ] - [ 0.0033752200000000, -0.0010391900000000, 0.0031877200000000 ] - [ 0.0032083200000000, -0.0013465500000000, 0.0030140200000000 ] - [ 0.0016502300000000, -0.0007604100000000, 0.0011095900000000 ] - [ 0.0016451600000000, -0.0008018900000000, 0.0009462800000000 ] - [ 0.0014388100000000, 0.0000014500000000, 0.0001013700000000 ] - [ 0.0014311500000000, 0.0000072700000000, 0.0000877600000000 ] - [ 0.0013109500000000, 0.0004542000000000, 0.0000271000000000 ] - [ 0.0013174300000000, 0.0004528000000000, 0.0000122600000000 ] - [ 0.0031982600000000, 0.0012469500000000, 0.0031461400000000 ] - [ 0.0031740400000000, 0.0012367300000000, 0.0030802500000000 ] - [ -0.0014493000000000, -0.0014626100000000, -0.0010281000000000 ] - [ -0.0013071200000000, -0.0011589600000000, -0.0010686500000000 ] - [ -0.0013521500000000, 0.0013246300000000, -0.0010010400000000 ] - [ -0.0013625300000000, 0.0013571800000000, -0.0010377000000000 ] - [ -0.0017185600000000, 0.0015530800000000, -0.0001736300000000 ] - [ -0.0008885100000000, 0.0004837800000000, -0.0011778100000000 ] - [ -0.0007733200000000, -0.0015552500000000, 0.0006589800000000 ] - [ -0.0014177500000000, -0.0001715300000000, -0.0004870500000000 ] - [ -0.0009511500000000, -0.0004529600000000, -0.0008889800000000 ] - [ -0.0009637900000000, -0.0004813400000000, -0.0009016500000000 ] - [ -0.0013890500000000, 0.0002789200000000, -0.0001538700000000 ] - [ -0.0013873000000000, 0.0003025400000000, -0.0001561000000000 ] - [ -0.0025606800000000, -0.0052250000000000, -0.0184366400000000 ] - [ -0.0023152000000000, -0.0011834800000000, -0.0007281500000000 ] - [ -0.0021924600000000, -0.0009499500000000, 0.0013831400000000 ] - [ -0.0019892900000000, -0.0007370300000000, 0.0010529300000000 ] - [ -0.0022788400000000, 0.0011800700000000, -0.0004112700000000 ] - [ -0.0022800700000000, 0.0011818300000000, -0.0004194400000000 ] - [ -0.0020581900000000, 0.0007453200000000, 0.0011999500000000 ] - [ -0.0020048700000000, 0.0007947200000000, 0.0011682700000000 ] - [ -0.0004533900000000, 0.0010169300000000, 0.0003546300000000 ] - [ -0.0004967200000000, 0.0009635700000000, 0.0002926400000000 ] - [ -0.0004579600000000, -0.0009455800000000, 0.0003939100000000 ] - [ -0.0004898600000000, -0.0010031800000000, 0.0002373800000000 ]- atom: 93 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0008978600000000, -0.0007574400000000, 0.0009891900000000 ] - [ 0.0005741800000000, 0.0003592500000000, 0.0010149900000000 ] - [ 0.0004361600000000, -0.0012212800000000, -0.0004269700000000 ] - [ 0.0001838100000000, -0.0001506200000000, -0.0002377300000000 ] - [ 0.0006565000000000, 0.0004263300000000, 0.0011645100000000 ] - [ 0.0006697600000000, 0.0005310600000000, 0.0011491500000000 ] - [ 0.0003334500000000, 0.0004744900000000, 0.0002395300000000 ] - [ 0.0003407100000000, 0.0005214300000000, 0.0002448400000000 ] - [ -0.0006384000000000, -0.0006682400000000, -0.0000229700000000 ] - [ -0.0006719100000000, -0.0011141500000000, 0.0001095500000000 ] - [ -0.0003194100000000, -0.0009865500000000, 0.0001437900000000 ] - [ -0.0000426700000000, -0.0015306200000000, -0.0001122400000000 ] - [ -0.0006362100000000, 0.0010023900000000, 0.0000772900000000 ] - [ -0.0006245900000000, 0.0008161900000000, 0.0000076000000000 ] - [ -0.0002339900000000, 0.0007676600000000, 0.0012554600000000 ] - [ -0.0002377200000000, 0.0007745200000000, 0.0012532500000000 ] - [ 0.0032431100000000, 0.0011261400000000, -0.0048657900000000 ] - [ 0.0035017300000000, 0.0020877100000000, -0.0010869200000000 ] - [ 0.0020456800000000, -0.0005242100000000, 0.0024590900000000 ] - [ 0.0023578500000000, 0.0002377800000000, 0.0005540300000000 ] - [ 0.0035614300000000, -0.0022096400000000, -0.0004715500000000 ] - [ 0.0035553800000000, -0.0021957800000000, -0.0005156500000000 ] - [ 0.0023497700000000, -0.0000911000000000, 0.0010185500000000 ] - [ 0.0023343200000000, -0.0001043400000000, 0.0009464700000000 ] - [ -0.0011873600000000, -0.0004973200000000, -0.0036678000000000 ] - [ -0.0013062800000000, -0.0000814800000000, -0.0004011700000000 ] - [ 0.0003575000000000, -0.0023294000000000, -0.0007886800000000 ] - [ 0.0004825600000000, -0.0024303200000000, -0.0012205100000000 ] - [ -0.0013218600000000, 0.0001740300000000, 0.0007524800000000 ] - [ -0.0013207200000000, 0.0001795300000000, 0.0007184500000000 ] - [ 0.0003793600000000, 0.0023172800000000, -0.0009013700000000 ] - [ 0.0004168300000000, 0.0024388400000000, -0.0011543200000000 ] - [ -0.0065859600000000, 0.0034526700000000, -0.0049121400000000 ] - [ -0.0052424500000000, 0.0012926600000000, -0.0035682600000000 ] - [ 0.0004227400000000, -0.0015647400000000, -0.0009160300000000 ] - [ -0.0009861800000000, 0.0006950800000000, -0.0001854600000000 ] - [ 0.0011579300000000, 0.0011446300000000, 0.0022367700000000 ] - [ 0.0010356100000000, 0.0014042900000000, 0.0023608200000000 ] - [ -0.0052756900000000, -0.0014238500000000, -0.0039877800000000 ] - [ -0.0052770600000000, -0.0014291500000000, -0.0039713200000000 ] - [ -0.0009137600000000, -0.0006066500000000, -0.0005749300000000 ] - [ -0.0009121300000000, -0.0006075500000000, -0.0005626300000000 ] - [ -0.0007273800000000, 0.0015162400000000, -0.0022910400000000 ] - [ -0.0006041000000000, 0.0013977600000000, -0.0022154200000000 ] - [ 0.0010173500000000, -0.0013545000000000, 0.0022130600000000 ] - [ 0.0010069000000000, -0.0013345100000000, 0.0022697200000000 ] - [ -0.0004781700000000, -0.0006408300000000, -0.0009926000000000 ] - [ 0.0036737600000000, 0.0004721600000000, 0.0032882300000000 ] - [ -0.0006451500000000, -0.0014146400000000, -0.0023440300000000 ] - [ -0.0006582700000000, -0.0014591800000000, -0.0022132900000000 ] - [ 0.0056343300000000, -0.0005677600000000, -0.0017661600000000 ] - [ 0.0013144200000000, -0.0005954600000000, 0.0017743400000000 ] - [ 0.0037403200000000, -0.0002550700000000, 0.0029141200000000 ] - [ 0.0037319100000000, -0.0002492000000000, 0.0029328400000000 ] - [ 0.0012521800000000, 0.0004557500000000, 0.0014521600000000 ] - [ 0.0012574300000000, 0.0004477800000000, 0.0014634000000000 ] - [ -0.0007926700000000, -0.0000019300000000, -0.0021144000000000 ] - [ -0.0007236600000000, -0.0000209600000000, -0.0022124800000000 ] - [ -0.0025358500000000, -0.0006571300000000, -0.0009608000000000 ] - [ -0.0026349000000000, -0.0008111800000000, -0.0008590500000000 ] - [ -0.0007582900000000, -0.0001132500000000, -0.0024928900000000 ] - [ -0.0007584700000000, -0.0001132300000000, -0.0024893700000000 ] - [ -0.0026331300000000, 0.0008231500000000, -0.0009546800000000 ] - [ -0.0025814800000000, 0.0007407800000000, -0.0009041500000000 ] - [ 0.0017152500000000, 0.0006571100000000, 0.0006848500000000 ] - [ 0.0016565100000000, 0.0007420500000000, 0.0007784200000000 ] - [ 0.0023803400000000, 0.0003254500000000, 0.0001592800000000 ] - [ 0.0014342800000000, -0.0000772900000000, 0.0002451200000000 ] - [ -0.0000140900000000, -0.0007776500000000, 0.0003584300000000 ] - [ 0.0013874300000000, -0.0004938000000000, 0.0002649600000000 ] - [ 0.0029083000000000, -0.0014278000000000, 0.0027698600000000 ] - [ 0.0030783100000000, -0.0011189300000000, 0.0029457500000000 ] - [ 0.0016782500000000, -0.0007230400000000, 0.0006064600000000 ] - [ 0.0016833200000000, -0.0006816500000000, 0.0007689600000000 ] - [ 0.0013614900000000, -0.0000283300000000, -0.0001665600000000 ] - [ 0.0013691300000000, -0.0000342700000000, -0.0001529000000000 ] - [ 0.0013842600000000, 0.0004725800000000, -0.0002075900000000 ] - [ 0.0013777400000000, 0.0004738900000000, -0.0001927300000000 ] - [ 0.0030887700000000, 0.0012186900000000, 0.0028132500000000 ] - [ 0.0031129500000000, 0.0012288800000000, 0.0028788000000000 ] - [ -0.0012880600000000, -0.0011365700000000, -0.0013192600000000 ] - [ -0.0014288600000000, -0.0014380500000000, -0.0012789100000000 ] - [ -0.0013839800000000, 0.0012733000000000, -0.0013463800000000 ] - [ -0.0013735600000000, 0.0012404300000000, -0.0013098100000000 ] - [ -0.0001671100000000, -0.0005334000000000, -0.0018527900000000 ] - [ -0.0009825500000000, 0.0005186400000000, -0.0008670600000000 ] - [ -0.0020187400000000, 0.0009821900000000, -0.0012432700000000 ] - [ -0.0013653700000000, -0.0004173700000000, -0.0000796600000000 ] - [ -0.0009200900000000, -0.0005490200000000, -0.0011551000000000 ] - [ -0.0009073600000000, -0.0005204500000000, -0.0011422400000000 ] - [ -0.0013942000000000, 0.0003091200000000, -0.0004142300000000 ] - [ -0.0013959500000000, 0.0002856300000000, -0.0004119700000000 ] - [ -0.0020685400000000, 0.0029505900000000, 0.0176541000000000 ] - [ -0.0022698800000000, -0.0011934400000000, -0.0002989700000000 ] - [ -0.0017799300000000, -0.0005705200000000, 0.0007663600000000 ] - [ -0.0019849500000000, -0.0007857400000000, 0.0010982400000000 ] - [ -0.0023061200000000, 0.0011963900000000, -0.0006161200000000 ] - [ -0.0023047700000000, 0.0011946800000000, -0.0006079700000000 ] - [ -0.0019160900000000, 0.0007769800000000, 0.0009504100000000 ] - [ -0.0019691800000000, 0.0007278400000000, 0.0009820100000000 ] - [ -0.0005297500000000, 0.0009810000000000, 0.0000392100000000 ] - [ -0.0004862800000000, 0.0010346000000000, 0.0001016800000000 ] - [ -0.0005246100000000, -0.0010519500000000, 0.0000000600000000 ] - [ -0.0004932900000000, -0.0009951100000000, 0.0001561800000000 ]- atom: 95 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0006619800000000, -0.0004886400000000, 0.0009846200000000 ] - [ 0.0006519700000000, -0.0004807700000000, 0.0010098700000000 ] - [ 0.0000009400000000, -0.0006884100000000, -0.0004570700000000 ] - [ 0.0001203600000000, -0.0004603800000000, -0.0003776400000000 ] - [ 0.0001386900000000, 0.0001268400000000, 0.0008404900000000 ] - [ 0.0008293200000000, 0.0009822400000000, 0.0012336400000000 ] - [ 0.0003464100000000, 0.0005062200000000, 0.0001111000000000 ] - [ 0.0003342500000000, 0.0004762000000000, 0.0000912000000000 ] - [ -0.0005202400000000, -0.0007920800000000, -0.0007836200000000 ] - [ 0.0006062100000000, -0.0047691700000000, 0.0002778200000000 ] - [ -0.0002233300000000, -0.0008200800000000, 0.0010275300000000 ] - [ -0.0002213500000000, -0.0007057200000000, 0.0014869100000000 ] - [ -0.0006440700000000, 0.0008978000000000, -0.0000864400000000 ] - [ -0.0006455900000000, 0.0009025500000000, -0.0000874300000000 ] - [ -0.0001884500000000, 0.0007083400000000, 0.0010550800000000 ] - [ -0.0002502500000000, 0.0008354100000000, 0.0011909500000000 ] - [ 0.0048459500000000, 0.0022070200000000, -0.0025132400000000 ] - [ 0.0036092200000000, 0.0025706100000000, -0.0008495300000000 ] - [ 0.0023400600000000, 0.0000728000000000, 0.0008469500000000 ] - [ 0.0023433700000000, 0.0001310200000000, 0.0008183300000000 ] - [ 0.0035598300000000, -0.0022111200000000, -0.0006221100000000 ] - [ 0.0035467000000000, -0.0021923500000000, -0.0006516500000000 ] - [ 0.0027907100000000, -0.0003894100000000, 0.0009431700000000 ] - [ 0.0022734300000000, 0.0000701200000000, 0.0006416500000000 ] - [ -0.0012339500000000, -0.0001931900000000, 0.0002685900000000 ] - [ -0.0013883500000000, -0.0000357900000000, 0.0005042200000000 ] - [ 0.0125743500000000, -0.0096789800000000, -0.0052185700000000 ] - [ 0.0002661200000000, -0.0018350100000000, -0.0016548800000000 ] - [ -0.0014024700000000, 0.0000917700000000, 0.0006299600000000 ] - [ -0.0012975900000000, 0.0002489800000000, 0.0004706100000000 ] - [ 0.0004203000000000, 0.0023847600000000, -0.0012310400000000 ] - [ 0.0004265000000000, 0.0024035900000000, -0.0012405300000000 ] - [ -0.0052844500000000, 0.0014270600000000, -0.0038781100000000 ] - [ -0.0052868100000000, 0.0013986300000000, -0.0039136300000000 ] - [ -0.0011014300000000, 0.0008252900000000, -0.0004888200000000 ] - [ -0.0009737900000000, 0.0005463200000000, -0.0005022300000000 ] - [ 0.0010044100000000, -0.0021612800000000, 0.0038651500000000 ] - [ 0.0009178800000000, 0.0012700700000000, 0.0025314300000000 ] - [ -0.0052708900000000, -0.0013680700000000, -0.0039630800000000 ] - [ -0.0052927500000000, -0.0014826200000000, -0.0039097000000000 ] - [ -0.0009250500000000, -0.0006028700000000, -0.0005298900000000 ] - [ -0.0009080300000000, -0.0006336400000000, -0.0005005000000000 ] - [ -0.0006515300000000, 0.0014823600000000, -0.0021757000000000 ] - [ -0.0006488000000000, 0.0014716400000000, -0.0021802800000000 ] - [ 0.0010110900000000, -0.0013282100000000, 0.0023059400000000 ] - [ 0.0010096300000000, -0.0013340700000000, 0.0023089900000000 ] - [ 0.0037061400000000, 0.0003063500000000, 0.0029926200000000 ] - [ 0.0037211500000000, 0.0002694900000000, 0.0030157400000000 ] - [ 0.0004329800000000, -0.0004510500000000, -0.0052750800000000 ] - [ -0.0006434700000000, -0.0017690200000000, -0.0019154300000000 ] - [ 0.0013413200000000, -0.0007768800000000, 0.0027888000000000 ] - [ 0.0012734200000000, -0.0005778800000000, 0.0016509100000000 ] - [ 0.0037112500000000, -0.0002477500000000, 0.0028657000000000 ] - [ 0.0037207700000000, -0.0003505300000000, 0.0031258600000000 ] - [ 0.0012612800000000, 0.0004689600000000, 0.0015147300000000 ] - [ 0.0012618500000000, 0.0004663900000000, 0.0015379200000000 ] - [ -0.0005970800000000, 0.0002435800000000, -0.0024291200000000 ] - [ -0.0007829100000000, 0.0000588400000000, -0.0023964700000000 ] - [ 0.0034543400000000, 0.0022224200000000, -0.0004488900000000 ] - [ -0.0026751300000000, -0.0009215000000000, -0.0007590600000000 ] - [ -0.0007504700000000, -0.0001082900000000, -0.0024693100000000 ] - [ -0.0007636900000000, -0.0000927400000000, -0.0024232800000000 ] - [ -0.0026058800000000, 0.0007583600000000, -0.0008713300000000 ] - [ -0.0026048800000000, 0.0007550600000000, -0.0008682500000000 ] - [ 0.0035026100000000, -0.0008177400000000, -0.0009627700000000 ] - [ 0.0021301000000000, 0.0005540000000000, 0.0011966600000000 ] - [ 0.0013980600000000, 0.0000253300000000, -0.0000680000000000 ] - [ 0.0013942400000000, 0.0000053100000000, -0.0000935900000000 ] - [ 0.0015227900000000, -0.0003650900000000, -0.0001600600000000 ] - [ 0.0014951600000000, -0.0005880900000000, -0.0001928900000000 ] - [ 0.0048456000000000, -0.0008171800000000, 0.0034581100000000 ] - [ 0.0034113100000000, -0.0014103200000000, 0.0029347700000000 ] - [ 0.0016751400000000, -0.0007177800000000, 0.0007929500000000 ] - [ 0.0016701100000000, -0.0007240200000000, 0.0008024200000000 ] - [ 0.0014302400000000, 0.0000461300000000, -0.0000064900000000 ] - [ 0.0014034000000000, -0.0000820400000000, -0.0000944700000000 ] - [ 0.0013683100000000, 0.0004783100000000, -0.0001251600000000 ] - [ 0.0013507100000000, 0.0004520500000000, -0.0001324000000000 ] - [ 0.0031241200000000, 0.0012316100000000, 0.0029237800000000 ] - [ 0.0031257200000000, 0.0012256900000000, 0.0029247400000000 ] - [ -0.0013703900000000, -0.0012770400000000, -0.0012391200000000 ] - [ -0.0013751000000000, -0.0012846500000000, -0.0012435700000000 ] - [ -0.0006170600000000, 0.0012024100000000, 0.0005905500000000 ] - [ -0.0012910200000000, 0.0010736300000000, -0.0012090100000000 ] - [ -0.0009092400000000, 0.0005374600000000, -0.0011196300000000 ] - [ -0.0009287300000000, 0.0005049800000000, -0.0010607200000000 ] - [ -0.0004076400000000, -0.0014981400000000, -0.0020598500000000 ] - [ -0.0013952000000000, -0.0003578900000000, -0.0001266500000000 ] - [ -0.0009097000000000, -0.0006029600000000, -0.0012462200000000 ] - [ -0.0009135600000000, -0.0005010400000000, -0.0009658200000000 ] - [ -0.0013924300000000, 0.0002900900000000, -0.0003509600000000 ] - [ -0.0013945500000000, 0.0003010200000000, -0.0003334900000000 ] - [ -0.0024450800000000, -0.0011849200000000, -0.0007263800000000 ] - [ -0.0022749800000000, -0.0012275800000000, -0.0005152300000000 ] - [ -0.0286369800000000, 0.0138159000000000, 0.0088248600000000 ] - [ -0.0019802100000000, -0.0010376900000000, 0.0011320100000000 ] - [ -0.0023013700000000, 0.0012082500000000, -0.0005854500000000 ] - [ -0.0022964000000000, 0.0011755800000000, -0.0005318500000000 ] - [ -0.0019658000000000, 0.0007587400000000, 0.0010229000000000 ] - [ -0.0019685100000000, 0.0007559100000000, 0.0010282400000000 ] - [ -0.0011846600000000, 0.0003816200000000, -0.0004071300000000 ] - [ -0.0006211100000000, 0.0008398400000000, 0.0003881000000000 ] - [ -0.0005015400000000, -0.0010022300000000, 0.0001333400000000 ] - [ -0.0004978600000000, -0.0010070800000000, 0.0001388800000000 ]- atom: 95 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0006546600000000, -0.0004933900000000, 0.0007689800000000 ] - [ 0.0006650300000000, -0.0005005300000000, 0.0007438600000000 ] - [ 0.0006984400000000, -0.0002798200000000, 0.0004297000000000 ] - [ 0.0005727300000000, -0.0005101100000000, 0.0003498000000000 ] - [ 0.0011769800000000, 0.0008537000000000, 0.0009120300000000 ] - [ 0.0004891600000000, 0.0000024800000000, 0.0005214800000000 ] - [ 0.0003459200000000, 0.0004645400000000, -0.0001355300000000 ] - [ 0.0003580100000000, 0.0004942600000000, -0.0001155700000000 ] - [ -0.0007777500000000, -0.0010169100000000, 0.0003925800000000 ] - [ -0.0019399300000000, 0.0030501600000000, -0.0006877500000000 ] - [ -0.0002448500000000, -0.0007132500000000, 0.0010058600000000 ] - [ -0.0002466600000000, -0.0008251200000000, 0.0005446200000000 ] - [ -0.0006511900000000, 0.0009128000000000, -0.0003005000000000 ] - [ -0.0006497000000000, 0.0009080000000000, -0.0002994600000000 ] - [ -0.0002795600000000, 0.0008234000000000, 0.0009784500000000 ] - [ -0.0002179700000000, 0.0006969100000000, 0.0008428800000000 ] - [ 0.0022436400000000, 0.0021890100000000, 0.0010225700000000 ] - [ 0.0034817000000000, 0.0018335800000000, -0.0006551200000000 ] - [ 0.0023379600000000, 0.0001526900000000, 0.0005640800000000 ] - [ 0.0023346900000000, 0.0000942800000000, 0.0005919400000000 ] - [ 0.0035328000000000, -0.0021924000000000, -0.0008824300000000 ] - [ 0.0035459400000000, -0.0022111200000000, -0.0008529700000000 ] - [ 0.0018874700000000, 0.0001636100000000, 0.0004663900000000 ] - [ 0.0024041700000000, -0.0002953300000000, 0.0007677900000000 ] - [ -0.0014032300000000, -0.0001594900000000, 0.0005171800000000 ] - [ -0.0012482600000000, -0.0003169100000000, 0.0002770400000000 ] - [ -0.0112265200000000, 0.0045223900000000, 0.0021849200000000 ] - [ 0.0005838000000000, -0.0029543500000000, -0.0011433100000000 ] - [ -0.0012345400000000, 0.0002606500000000, 0.0001524600000000 ] - [ -0.0013392300000000, 0.0001036900000000, 0.0003112100000000 ] - [ 0.0004272300000000, 0.0024073800000000, -0.0015604000000000 ] - [ 0.0004210400000000, 0.0023883800000000, -0.0015511400000000 ] - [ -0.0052539500000000, 0.0013998100000000, -0.0038297700000000 ] - [ -0.0052515600000000, 0.0014279700000000, -0.0037938900000000 ] - [ -0.0007417700000000, 0.0004251600000000, -0.0004307100000000 ] - [ -0.0008700400000000, 0.0007033900000000, -0.0004176300000000 ] - [ 0.0009950800000000, 0.0047872100000000, 0.0008675700000000 ] - [ 0.0010976000000000, 0.0013617200000000, 0.0021996800000000 ] - [ -0.0052676900000000, -0.0014586100000000, -0.0037448300000000 ] - [ -0.0052461000000000, -0.0013444300000000, -0.0037982000000000 ] - [ -0.0009190700000000, -0.0006471000000000, -0.0003901100000000 ] - [ -0.0009360100000000, -0.0006164900000000, -0.0004192900000000 ] - [ -0.0006350400000000, 0.0015300100000000, -0.0020344600000000 ] - [ -0.0006377700000000, 0.0015407300000000, -0.0020297600000000 ] - [ 0.0010067000000000, -0.0013092700000000, 0.0024228200000000 ] - [ 0.0010081900000000, -0.0013034200000000, 0.0024197500000000 ] - [ 0.0037246400000000, 0.0003050300000000, 0.0031544200000000 ] - [ 0.0037097600000000, 0.0003423100000000, 0.0031319600000000 ] - [ -0.0017114300000000, -0.0025557500000000, 0.0010329200000000 ] - [ -0.0006429300000000, -0.0012444400000000, -0.0022926700000000 ] - [ 0.0011944600000000, -0.0001853200000000, 0.0003795000000000 ] - [ 0.0012607400000000, -0.0003842000000000, 0.0015107200000000 ] - [ 0.0037196200000000, -0.0003639100000000, 0.0032813500000000 ] - [ 0.0037101500000000, -0.0002612000000000, 0.0030220700000000 ] - [ 0.0012732400000000, 0.0004922400000000, 0.0016466500000000 ] - [ 0.0012726800000000, 0.0004948400000000, 0.0016236100000000 ] - [ -0.0009194600000000, -0.0000592000000000, -0.0023888000000000 ] - [ -0.0007327700000000, 0.0001270900000000, -0.0024208200000000 ] - [ -0.0085607500000000, -0.0036466000000000, -0.0011905200000000 ] - [ -0.0025322500000000, -0.0005475300000000, -0.0008805600000000 ] - [ -0.0007653800000000, -0.0000773400000000, -0.0023484500000000 ] - [ -0.0007522800000000, -0.0000927400000000, -0.0023944300000000 ] - [ -0.0026004100000000, 0.0007103200000000, -0.0007693200000000 ] - [ -0.0026014300000000, 0.0007136100000000, -0.0007723500000000 ] - [ -0.0001561200000000, 0.0022909600000000, 0.0026642000000000 ] - [ 0.0011968100000000, 0.0009294600000000, 0.0005211100000000 ] - [ 0.0014013100000000, 0.0000017300000000, 0.0000016400000000 ] - [ 0.0014052900000000, 0.0000213600000000, 0.0000275600000000 ] - [ 0.0011745400000000, -0.0005598400000000, -0.0000226900000000 ] - [ 0.0011991700000000, -0.0003388200000000, 0.0000128200000000 ] - [ 0.0014311600000000, -0.0016584800000000, 0.0025117900000000 ] - [ 0.0028744100000000, -0.0010557100000000, 0.0030247900000000 ] - [ 0.0016523300000000, -0.0007660000000000, 0.0009231300000000 ] - [ 0.0016573400000000, -0.0007596900000000, 0.0009137400000000 ] - [ 0.0013691900000000, -0.0000730900000000, -0.0000596600000000 ] - [ 0.0013961300000000, 0.0000547100000000, 0.0000282800000000 ] - [ 0.0013265900000000, 0.0004485600000000, -0.0000554800000000 ] - [ 0.0013440600000000, 0.0004746600000000, -0.0000481300000000 ] - [ 0.0031619400000000, 0.0012340100000000, 0.0030348300000000 ] - [ 0.0031604000000000, 0.0012399400000000, 0.0030338800000000 ] - [ -0.0013662800000000, -0.0013201400000000, -0.0011082500000000 ] - [ -0.0013616200000000, -0.0013127000000000, -0.0011037300000000 ] - [ -0.0021226500000000, 0.0013995700000000, -0.0029488200000000 ] - [ -0.0014451100000000, 0.0015226900000000, -0.0011378100000000 ] - [ -0.0009624300000000, 0.0004635900000000, -0.0009253600000000 ] - [ -0.0009429000000000, 0.0004966000000000, -0.0009845600000000 ] - [ -0.0023743100000000, 0.0009175800000000, 0.0015100600000000 ] - [ -0.0013882500000000, -0.0002302200000000, -0.0004400700000000 ] - [ -0.0009614800000000, -0.0003991600000000, -0.0007997400000000 ] - [ -0.0009576600000000, -0.0005000300000000, -0.0010790500000000 ] - [ -0.0013909800000000, 0.0002980200000000, -0.0002174300000000 ] - [ -0.0013888500000000, 0.0002871500000000, -0.0002348300000000 ] - [ -0.0021396100000000, -0.0011925900000000, -0.0003025900000000 ] - [ -0.0023095300000000, -0.0011491900000000, -0.0005121000000000 ] - [ 0.0241273700000000, -0.0150883300000000, -0.0063974400000000 ] - [ -0.0019928800000000, -0.0004873600000000, 0.0010192800000000 ] - [ -0.0022832500000000, 0.0011685500000000, -0.0004423800000000 ] - [ -0.0022880700000000, 0.0012011800000000, -0.0004958100000000 ] - [ -0.0020078800000000, 0.0007641600000000, 0.0011270900000000 ] - [ -0.0020051600000000, 0.0007670200000000, 0.0011217900000000 ] - [ 0.0001956900000000, 0.0016224200000000, 0.0008075800000000 ] - [ -0.0003597300000000, 0.0011585400000000, 0.0000073800000000 ] - [ -0.0004809900000000, -0.0009965300000000, 0.0002611500000000 ] - [ -0.0004847600000000, -0.0009916500000000, 0.0002557500000000 ]- atom: 95 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006604800000000, -0.0005352800000000, 0.0009363700000000 ] - [ 0.0006631400000000, -0.0004433600000000, 0.0008714900000000 ] - [ 0.0004327100000000, -0.0002295900000000, -0.0005578700000000 ] - [ 0.0008723200000000, -0.0010538200000000, 0.0006465200000000 ] - [ 0.0008990400000000, 0.0004776100000000, 0.0012845600000000 ] - [ 0.0006051000000000, 0.0000805500000000, 0.0005014500000000 ] - [ 0.0003421500000000, 0.0004780500000000, -0.0000032600000000 ] - [ 0.0003511100000000, 0.0004921300000000, 0.0000269000000000 ] - [ -0.0011147300000000, -0.0019940600000000, -0.0003816300000000 ] - [ -0.0045505200000000, 0.0065283800000000, -0.0019862600000000 ] - [ -0.0002648400000000, -0.0009146500000000, 0.0012222800000000 ] - [ -0.0002692300000000, -0.0006564200000000, 0.0005723100000000 ] - [ -0.0006494800000000, 0.0009140700000000, -0.0001725700000000 ] - [ -0.0006453400000000, 0.0008952400000000, -0.0001693500000000 ] - [ -0.0002558900000000, 0.0007939700000000, 0.0011360800000000 ] - [ -0.0002155100000000, 0.0007157500000000, 0.0009235900000000 ] - [ 0.0042153100000000, 0.0058552200000000, -0.0047938700000000 ] - [ 0.0035794200000000, 0.0015460200000000, -0.0010952000000000 ] - [ 0.0023342000000000, 0.0001571800000000, 0.0007773700000000 ] - [ 0.0023390700000000, 0.0000663300000000, 0.0006992600000000 ] - [ 0.0035389800000000, -0.0021833400000000, -0.0007328700000000 ] - [ 0.0035520800000000, -0.0022188200000000, -0.0007216500000000 ] - [ 0.0020864000000000, 0.0006269600000000, 0.0006322900000000 ] - [ 0.0024334100000000, -0.0004725600000000, 0.0008278000000000 ] - [ -0.0012730400000000, 0.0001564100000000, 0.0006391800000000 ] - [ -0.0012914000000000, -0.0004644800000000, 0.0002488500000000 ] - [ -0.0063250700000000, 0.0043826800000000, -0.0003218700000000 ] - [ 0.0004646600000000, -0.0039214700000000, -0.0012940800000000 ] - [ -0.0012535100000000, 0.0003289400000000, 0.0003783100000000 ] - [ -0.0013527200000000, 0.0000485600000000, 0.0004695900000000 ] - [ 0.0004295000000000, 0.0024164500000000, -0.0013532400000000 ] - [ 0.0004194400000000, 0.0023764800000000, -0.0013678700000000 ] - [ -0.0052667800000000, 0.0014026400000000, -0.0039400500000000 ] - [ -0.0052585200000000, 0.0014287000000000, -0.0038014200000000 ] - [ -0.0009317700000000, 0.0005560300000000, -0.0006232200000000 ] - [ -0.0009159800000000, 0.0007414600000000, -0.0003351300000000 ] - [ -0.0020602800000000, 0.0097027500000000, -0.0006306000000000 ] - [ 0.0015784400000000, 0.0027525800000000, 0.0025463200000000 ] - [ -0.0053076000000000, -0.0014840700000000, -0.0038952400000000 ] - [ -0.0052464000000000, -0.0013338400000000, -0.0038245100000000 ] - [ -0.0009115400000000, -0.0006413400000000, -0.0004754300000000 ] - [ -0.0009330600000000, -0.0006051200000000, -0.0004636600000000 ] - [ -0.0006459000000000, 0.0014885000000000, -0.0021365800000000 ] - [ -0.0006438000000000, 0.0015094600000000, -0.0021074600000000 ] - [ 0.0010099400000000, -0.0013265100000000, 0.0023494200000000 ] - [ 0.0010083400000000, -0.0013157500000000, 0.0023557300000000 ] - [ 0.0036800300000000, 0.0002446000000000, 0.0030290800000000 ] - [ 0.0037329900000000, 0.0003503100000000, 0.0030864600000000 ] - [ 0.0000587100000000, -0.0023220500000000, -0.0026074600000000 ] - [ -0.0006381000000000, -0.0010894900000000, -0.0023218100000000 ] - [ 0.0010644400000000, -0.0008285300000000, 0.0014883100000000 ] - [ 0.0013633400000000, -0.0001683400000000, 0.0016041400000000 ] - [ 0.0037456700000000, -0.0004678400000000, 0.0032152000000000 ] - [ 0.0036880200000000, -0.0001694900000000, 0.0029240300000000 ] - [ 0.0012693000000000, 0.0004693500000000, 0.0015770800000000 ] - [ 0.0012643600000000, 0.0004862400000000, 0.0015616300000000 ] - [ -0.0009408900000000, -0.0001689300000000, -0.0023618800000000 ] - [ -0.0006755700000000, 0.0003076900000000, -0.0024994900000000 ] - [ -0.0023112100000000, -0.0016272600000000, -0.0010762100000000 ] - [ -0.0024591400000000, -0.0000834100000000, -0.0005751100000000 ] - [ -0.0007463000000000, -0.0001096800000000, -0.0023931500000000 ] - [ -0.0007659200000000, -0.0000811600000000, -0.0024356600000000 ] - [ -0.0026030700000000, 0.0007365100000000, -0.0008312900000000 ] - [ -0.0026033200000000, 0.0007411600000000, -0.0008306100000000 ] - [ 0.0007803500000000, 0.0017554800000000, 0.0020162600000000 ] - [ 0.0009760900000000, 0.0012383200000000, 0.0004735800000000 ] - [ 0.0013813300000000, 0.0000120300000000, -0.0001084300000000 ] - [ 0.0014018400000000, 0.0000257100000000, 0.0000159600000000 ] - [ 0.0016287200000000, -0.0004920500000000, -0.0003236400000000 ] - [ 0.0012351900000000, -0.0003348000000000, 0.0000728300000000 ] - [ 0.0034478700000000, -0.0008598700000000, 0.0025851000000000 ] - [ 0.0028413700000000, -0.0008447300000000, 0.0033186200000000 ] - [ 0.0016613800000000, -0.0007461700000000, 0.0008495100000000 ] - [ 0.0016698800000000, -0.0007278100000000, 0.0008396800000000 ] - [ 0.0013638300000000, -0.0000961400000000, -0.0001514000000000 ] - [ 0.0013914000000000, 0.0000669800000000, 0.0000055600000000 ] - [ 0.0013441900000000, 0.0004526300000000, -0.0001250800000000 ] - [ 0.0013607700000000, 0.0004802900000000, -0.0000935300000000 ] - [ 0.0031379800000000, 0.0012281900000000, 0.0029634500000000 ] - [ 0.0031406500000000, 0.0012359200000000, 0.0029696800000000 ] - [ -0.0013702500000000, -0.0012890400000000, -0.0012015800000000 ] - [ -0.0013677600000000, -0.0013009000000000, -0.0011758600000000 ] - [ -0.0017070600000000, 0.0010126600000000, -0.0023581600000000 ] - [ -0.0014327200000000, 0.0016135600000000, -0.0009725400000000 ] - [ -0.0009327300000000, 0.0004392700000000, -0.0009847400000000 ] - [ -0.0009374600000000, 0.0005462000000000, -0.0010647300000000 ] - [ -0.0023369800000000, 0.0003378700000000, 0.0017613800000000 ] - [ -0.0014686900000000, 0.0000312500000000, -0.0003673900000000 ] - [ -0.0009423100000000, -0.0004729500000000, -0.0008432900000000 ] - [ -0.0008892800000000, -0.0004712700000000, -0.0011461700000000 ] - [ -0.0013936600000000, 0.0002949100000000, -0.0002853400000000 ] - [ -0.0013899200000000, 0.0002942700000000, -0.0003062800000000 ] - [ -0.0022760300000000, -0.0014164800000000, -0.0007037200000000 ] - [ -0.0023346600000000, -0.0010778200000000, -0.0004905400000000 ] - [ 0.0124376100000000, -0.0300614200000000, 0.0064943800000000 ] - [ -0.0022629500000000, -0.0001602100000000, 0.0010676800000000 ] - [ -0.0022989100000000, 0.0011534000000000, -0.0004981700000000 ] - [ -0.0022897300000000, 0.0012218700000000, -0.0005473300000000 ] - [ -0.0019842500000000, 0.0007567300000000, 0.0010634500000000 ] - [ -0.0019813300000000, 0.0007635500000000, 0.0010650600000000 ] - [ -0.0007672000000000, 0.0026743200000000, 0.0024467900000000 ] - [ -0.0002069300000000, 0.0013728500000000, -0.0000426500000000 ] - [ -0.0004901100000000, -0.0010093600000000, 0.0001802800000000 ] - [ -0.0004952000000000, -0.0009915700000000, 0.0001872500000000 ]- atom: 95 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006572000000000, -0.0004470700000000, 0.0008174200000000 ] - [ 0.0006545400000000, -0.0005372600000000, 0.0008820000000000 ] - [ 0.0002611900000000, -0.0007323900000000, 0.0005311800000000 ] - [ -0.0001833900000000, 0.0000759300000000, -0.0006745300000000 ] - [ 0.0004208800000000, 0.0005082400000000, 0.0004704400000000 ] - [ 0.0007113200000000, 0.0008978700000000, 0.0012511200000000 ] - [ 0.0003505900000000, 0.0004928600000000, -0.0000216400000000 ] - [ 0.0003417000000000, 0.0004789600000000, -0.0000515600000000 ] - [ -0.0001810900000000, 0.0001719600000000, -0.0000064800000000 ] - [ 0.0030786000000000, -0.0080808800000000, 0.0015152200000000 ] - [ -0.0002037400000000, -0.0006200800000000, 0.0008117600000000 ] - [ -0.0001988300000000, -0.0008735500000000, 0.0014583400000000 ] - [ -0.0006458100000000, 0.0008975700000000, -0.0002151100000000 ] - [ -0.0006499400000000, 0.0009160900000000, -0.0002182500000000 ] - [ -0.0002125500000000, 0.0007390400000000, 0.0008979900000000 ] - [ -0.0002525000000000, 0.0008162100000000, 0.0011096200000000 ] - [ 0.0028568800000000, -0.0014551300000000, 0.0033613100000000 ] - [ 0.0035147500000000, 0.0028548400000000, -0.0004154200000000 ] - [ 0.0023436000000000, 0.0000687100000000, 0.0006342200000000 ] - [ 0.0023388500000000, 0.0001590700000000, 0.0007108500000000 ] - [ 0.0035538700000000, -0.0022200200000000, -0.0007722600000000 ] - [ 0.0035408700000000, -0.0021846500000000, -0.0007831900000000 ] - [ 0.0025891100000000, -0.0008505000000000, 0.0007757500000000 ] - [ 0.0022453000000000, 0.0002455300000000, 0.0005850600000000 ] - [ -0.0013639400000000, -0.0005088300000000, 0.0001489900000000 ] - [ -0.0013449600000000, 0.0001114200000000, 0.0005295600000000 ] - [ 0.0073851300000000, -0.0092220400000000, -0.0025594100000000 ] - [ 0.0003834000000000, -0.0008779900000000, -0.0014956200000000 ] - [ -0.0013825600000000, 0.0000244700000000, 0.0004025300000000 ] - [ -0.0012840400000000, 0.0003037700000000, 0.0003127000000000 ] - [ 0.0004183000000000, 0.0023756000000000, -0.0014384500000000 ] - [ 0.0004283300000000, 0.0024152800000000, -0.0014241100000000 ] - [ -0.0052712900000000, 0.0014244200000000, -0.0037677700000000 ] - [ -0.0052798000000000, 0.0013978700000000, -0.0039050200000000 ] - [ -0.0009142300000000, 0.0006962200000000, -0.0002985800000000 ] - [ -0.0009279300000000, 0.0005081000000000, -0.0005838200000000 ] - [ 0.0041592300000000, -0.0072522100000000, 0.0054286600000000 ] - [ 0.0004501400000000, -0.0000816500000000, 0.0021891800000000 ] - [ -0.0052308400000000, -0.0013428700000000, -0.0038115600000000 ] - [ -0.0052919300000000, -0.0014924100000000, -0.0038828200000000 ] - [ -0.0009324600000000, -0.0006086800000000, -0.0004441600000000 ] - [ -0.0009110500000000, -0.0006447000000000, -0.0004561000000000 ] - [ -0.0006404700000000, 0.0015239400000000, -0.0020734200000000 ] - [ -0.0006425400000000, 0.0015030600000000, -0.0021022400000000 ] - [ 0.0010079100000000, -0.0013108100000000, 0.0023798300000000 ] - [ 0.0010095600000000, -0.0013214900000000, 0.0023734800000000 ] - [ 0.0037507900000000, 0.0003666900000000, 0.0031183500000000 ] - [ 0.0036979900000000, 0.0002621200000000, 0.0030623600000000 ] - [ -0.0013495800000000, -0.0007000600000000, -0.0015915000000000 ] - [ -0.0006483800000000, -0.0019199300000000, -0.0018897100000000 ] - [ 0.0014651100000000, -0.0001322000000000, 0.0016610000000000 ] - [ 0.0011718600000000, -0.0007917900000000, 0.0015598100000000 ] - [ 0.0036854600000000, -0.0001440200000000, 0.0029338800000000 ] - [ 0.0037431700000000, -0.0004417600000000, 0.0032231900000000 ] - [ 0.0012654300000000, 0.0004919800000000, 0.0015846900000000 ] - [ 0.0012704100000000, 0.0004750900000000, 0.0016000200000000 ] - [ -0.0005766800000000, 0.0003515300000000, -0.0024558900000000 ] - [ -0.0008389800000000, -0.0001207000000000, -0.0023172200000000 ] - [ -0.0029152300000000, 0.0001414000000000, -0.0005633700000000 ] - [ -0.0027442600000000, -0.0013820800000000, -0.0010644200000000 ] - [ -0.0007691300000000, -0.0000756400000000, -0.0024242200000000 ] - [ -0.0007494000000000, -0.0001043800000000, -0.0023821500000000 ] - [ -0.0026026800000000, 0.0007322000000000, -0.0008091100000000 ] - [ -0.0026024100000000, 0.0007274900000000, -0.0008097200000000 ] - [ 0.0025406900000000, -0.0002717000000000, -0.0002948100000000 ] - [ 0.0023444900000000, 0.0002497600000000, 0.0012373900000000 ] - [ 0.0014182900000000, 0.0000151900000000, 0.0000420700000000 ] - [ 0.0013983300000000, 0.0000007900000000, -0.0000809500000000 ] - [ 0.0010686800000000, -0.0004330500000000, 0.0001410100000000 ] - [ 0.0014590200000000, -0.0005926500000000, -0.0002519000000000 ] - [ 0.0028327000000000, -0.0016044300000000, 0.0033761700000000 ] - [ 0.0034420800000000, -0.0016190900000000, 0.0026450000000000 ] - [ 0.0016666400000000, -0.0007376200000000, 0.0008666800000000 ] - [ 0.0016581500000000, -0.0007557900000000, 0.0008765500000000 ] - [ 0.0014360200000000, 0.0000689700000000, 0.0000854900000000 ] - [ 0.0014083800000000, -0.0000933600000000, -0.0000711600000000 ] - [ 0.0013509000000000, 0.0004744000000000, -0.0000553400000000 ] - [ 0.0013344200000000, 0.0004469200000000, -0.0000868700000000 ] - [ 0.0031484700000000, 0.0012377100000000, 0.0029955300000000 ] - [ 0.0031458700000000, 0.0012300700000000, 0.0029892800000000 ] - [ -0.0013659800000000, -0.0013086100000000, -0.0011459400000000 ] - [ -0.0013685300000000, -0.0012971100000000, -0.0011714200000000 ] - [ -0.0010284400000000, 0.0015794000000000, 0.0000078100000000 ] - [ -0.0013038100000000, 0.0009867200000000, -0.0013738500000000 ] - [ -0.0009387600000000, 0.0005621800000000, -0.0010594000000000 ] - [ -0.0009339900000000, 0.0004563600000000, -0.0009797800000000 ] - [ -0.0004576100000000, -0.0009200600000000, -0.0023043200000000 ] - [ -0.0013133800000000, -0.0006156200000000, -0.0002007700000000 ] - [ -0.0009290000000000, -0.0005282600000000, -0.0011997700000000 ] - [ -0.0009822700000000, -0.0005313500000000, -0.0008988900000000 ] - [ -0.0013895600000000, 0.0002932100000000, -0.0002827300000000 ] - [ -0.0013932900000000, 0.0002937100000000, -0.0002618900000000 ] - [ -0.0023077900000000, -0.0009610000000000, -0.0003250600000000 ] - [ -0.0022500500000000, -0.0012979900000000, -0.0005361200000000 ] - [ -0.0164650600000000, 0.0285142300000000, -0.0043198900000000 ] - [ -0.0017126500000000, -0.0013594300000000, 0.0010827600000000 ] - [ -0.0022854500000000, 0.0012232200000000, -0.0005291800000000 ] - [ -0.0022946700000000, 0.0011549100000000, -0.0004804900000000 ] - [ -0.0019894300000000, 0.0007662900000000, 0.0010868400000000 ] - [ -0.0019923500000000, 0.0007594900000000, 0.0010852400000000 ] - [ -0.0002058000000000, -0.0006945400000000, -0.0020765500000000 ] - [ -0.0007742000000000, 0.0006263700000000, 0.0004358600000000 ] - [ -0.0004924200000000, -0.0009891800000000, 0.0002142300000000 ] - [ -0.0004874600000000, -0.0010068400000000, 0.0002075100000000 ]- atom: 95 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0006478600000000, -0.0004208900000000, 0.0005547700000000 ] - [ 0.0006576000000000, -0.0005952500000000, 0.0005545000000000 ] - [ 0.0004533800000000, -0.0009354700000000, 0.0007420800000000 ] - [ 0.0002278800000000, -0.0001776200000000, 0.0004282600000000 ] - [ 0.0008880600000000, 0.0012328700000000, 0.0005168900000000 ] - [ 0.0007023400000000, 0.0001487000000000, 0.0007564200000000 ] - [ 0.0003532800000000, 0.0004489700000000, -0.0003076500000000 ] - [ 0.0003592300000000, 0.0004965000000000, -0.0003076000000000 ] - [ -0.0007062400000000, -0.0011626000000000, 0.0008088500000000 ] - [ 0.0004922500000000, -0.0027974500000000, 0.0012986400000000 ] - [ -0.0002007600000000, -0.0004769200000000, 0.0008267200000000 ] - [ -0.0003133400000000, -0.0010328600000000, 0.0007043500000000 ] - [ -0.0006510100000000, 0.0009081600000000, -0.0004712600000000 ] - [ -0.0006560300000000, 0.0009281200000000, -0.0004690000000000 ] - [ -0.0002662100000000, 0.0008478900000000, 0.0007364600000000 ] - [ -0.0002176700000000, 0.0006872400000000, 0.0007634000000000 ] - [ 0.0014385200000000, -0.0018518300000000, 0.0085467400000000 ] - [ 0.0035294100000000, 0.0021196200000000, -0.0003068500000000 ] - [ 0.0023511700000000, 0.0001440000000000, 0.0002999200000000 ] - [ 0.0023248900000000, 0.0001226300000000, 0.0004579100000000 ] - [ 0.0035329500000000, -0.0022069000000000, -0.0010772300000000 ] - [ 0.0035363000000000, -0.0021974200000000, -0.0010286500000000 ] - [ 0.0020774500000000, -0.0002919000000000, 0.0001212100000000 ] - [ 0.0023501300000000, -0.0000507400000000, 0.0007351300000000 ] - [ -0.0012862300000000, -0.0001437000000000, -0.0004976700000000 ] - [ -0.0012466300000000, -0.0002021100000000, 0.0003330300000000 ] - [ -0.0035610700000000, -0.0008061800000000, 0.0024330300000000 ] - [ 0.0003678900000000, -0.0022298800000000, -0.0004767800000000 ] - [ -0.0013126700000000, 0.0001454200000000, -0.0001214000000000 ] - [ -0.0013042000000000, 0.0001978300000000, 0.0000871000000000 ] - [ 0.0004202100000000, 0.0023969400000000, -0.0018373400000000 ] - [ 0.0004238600000000, 0.0024029100000000, -0.0017909900000000 ] - [ -0.0052894300000000, 0.0013420300000000, -0.0036732600000000 ] - [ -0.0052447700000000, 0.0014395900000000, -0.0037808500000000 ] - [ -0.0007158800000000, 0.0003966800000000, -0.0003820900000000 ] - [ -0.0008875500000000, 0.0006995900000000, -0.0005003800000000 ] - [ 0.0020327500000000, -0.0006628000000000, 0.0017958700000000 ] - [ 0.0010983300000000, 0.0016096200000000, 0.0020189900000000 ] - [ -0.0052282700000000, -0.0014119300000000, -0.0036197600000000 ] - [ -0.0052602700000000, -0.0013817100000000, -0.0037741800000000 ] - [ -0.0009281600000000, -0.0006549000000000, -0.0002999600000000 ] - [ -0.0009356000000000, -0.0006365900000000, -0.0003584000000000 ] - [ -0.0006198900000000, 0.0015834300000000, -0.0018980500000000 ] - [ -0.0006309700000000, 0.0015854200000000, -0.0019259300000000 ] - [ 0.0010049300000000, -0.0012866400000000, 0.0025188300000000 ] - [ 0.0010080500000000, -0.0012891400000000, 0.0025018100000000 ] - [ 0.0037191500000000, 0.0004316000000000, 0.0033564800000000 ] - [ 0.0036917800000000, 0.0003301000000000, 0.0031700100000000 ] - [ -0.0032228200000000, -0.0023131400000000, 0.0021711600000000 ] - [ -0.0006803800000000, -0.0013482300000000, -0.0023501900000000 ] - [ 0.0020790700000000, -0.0007668200000000, 0.0034060000000000 ] - [ 0.0012369600000000, -0.0004909100000000, 0.0014406900000000 ] - [ 0.0036568100000000, -0.0002812300000000, 0.0033251300000000 ] - [ 0.0037532900000000, -0.0004431700000000, 0.0032007100000000 ] - [ 0.0012798100000000, 0.0005243700000000, 0.0017398000000000 ] - [ 0.0012840600000000, 0.0005057700000000, 0.0017097000000000 ] - [ -0.0006776200000000, 0.0002891800000000, -0.0023169500000000 ] - [ -0.0008029200000000, -0.0000291000000000, -0.0024031800000000 ] - [ -0.0033025400000000, -0.0013482100000000, -0.0016712000000000 ] - [ -0.0025597700000000, -0.0009132300000000, -0.0011057100000000 ] - [ -0.0007854900000000, -0.0000273100000000, -0.0022924900000000 ] - [ -0.0007347500000000, -0.0001089100000000, -0.0023349800000000 ] - [ -0.0025957200000000, 0.0006756100000000, -0.0006872000000000 ] - [ -0.0025986400000000, 0.0006794100000000, -0.0006952100000000 ] - [ 0.0012030200000000, 0.0011757200000000, 0.0013026100000000 ] - [ 0.0017472400000000, 0.0005506700000000, 0.0005888000000000 ] - [ 0.0014890300000000, -0.0000457400000000, 0.0001460000000000 ] - [ 0.0014120700000000, 0.0000336100000000, 0.0000379500000000 ] - [ 0.0008326000000000, -0.0007304300000000, 0.0002288500000000 ] - [ 0.0012700300000000, -0.0003179200000000, -0.0000818700000000 ] - [ 0.0021723600000000, -0.0013627900000000, 0.0021345200000000 ] - [ 0.0031491400000000, -0.0013239200000000, 0.0025259000000000 ] - [ 0.0016421600000000, -0.0007931200000000, 0.0010226100000000 ] - [ 0.0016394500000000, -0.0008026900000000, 0.0010106200000000 ] - [ 0.0014492900000000, -0.0000044000000000, 0.0001676900000000 ] - [ 0.0014057200000000, 0.0000171400000000, 0.0000435600000000 ] - [ 0.0012993200000000, 0.0004398900000000, 0.0000621100000000 ] - [ 0.0013181400000000, 0.0004618900000000, 0.0000112000000000 ] - [ 0.0031933700000000, 0.0012424700000000, 0.0031322900000000 ] - [ 0.0031855200000000, 0.0012434500000000, 0.0031168700000000 ] - [ -0.0013625300000000, -0.0013633000000000, -0.0009834300000000 ] - [ -0.0013509600000000, -0.0013254000000000, -0.0010093500000000 ] - [ -0.0004039500000000, 0.0006480000000000, 0.0002261900000000 ] - [ -0.0013931000000000, 0.0013375800000000, -0.0013136900000000 ] - [ -0.0009749500000000, 0.0005000800000000, -0.0008600500000000 ] - [ -0.0009550500000000, 0.0004241200000000, -0.0008905800000000 ] - [ -0.0026898600000000, 0.0013688800000000, 0.0012665600000000 ] - [ -0.0013901700000000, -0.0004691900000000, -0.0005313000000000 ] - [ -0.0008879800000000, -0.0003421400000000, -0.0008656700000000 ] - [ -0.0010609300000000, -0.0006104200000000, -0.0009511200000000 ] - [ -0.0013879100000000, 0.0003012500000000, -0.0001321900000000 ] - [ -0.0013877600000000, 0.0002780600000000, -0.0001366500000000 ] - [ -0.0021931000000000, -0.0010290900000000, -0.0001938200000000 ] - [ -0.0022792100000000, -0.0012134000000000, -0.0005357600000000 ] - [ 0.0065422700000000, 0.0042579100000000, -0.0226232000000000 ] - [ -0.0019297700000000, -0.0007605200000000, 0.0007996900000000 ] - [ -0.0022603100000000, 0.0012002900000000, -0.0003847800000000 ] - [ -0.0022902800000000, 0.0011647300000000, -0.0004192000000000 ] - [ -0.0020388000000000, 0.0007738700000000, 0.0012109500000000 ] - [ -0.0020333000000000, 0.0007723600000000, 0.0011974100000000 ] - [ -0.0007219500000000, 0.0030322500000000, 0.0016970700000000 ] - [ -0.0005760800000000, 0.0008953200000000, -0.0000342500000000 ] - [ -0.0004690900000000, -0.0009800400000000, 0.0003752300000000 ] - [ -0.0004698600000000, -0.0009915100000000, 0.0003440300000000 ]- atom: 95 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0006686400000000, -0.0005601800000000, 0.0011963500000000 ] - [ 0.0006589000000000, -0.0003874100000000, 0.0011967400000000 ] - [ 0.0002417000000000, -0.0000363100000000, -0.0007585500000000 ] - [ 0.0004655900000000, -0.0007913600000000, -0.0004472900000000 ] - [ 0.0004253400000000, -0.0002542700000000, 0.0012326300000000 ] - [ 0.0006129500000000, 0.0008321700000000, 0.0009935700000000 ] - [ 0.0003392000000000, 0.0005217700000000, 0.0002808500000000 ] - [ 0.0003331800000000, 0.0004739500000000, 0.0002809600000000 ] - [ -0.0005897300000000, -0.0006518600000000, -0.0011932400000000 ] - [ -0.0017851100000000, 0.0009790700000000, -0.0016635100000000 ] - [ -0.0002670700000000, -0.0010523700000000, 0.0012045900000000 ] - [ -0.0001555200000000, -0.0005013100000000, 0.0013273100000000 ] - [ -0.0006442000000000, 0.0009022200000000, 0.0000824300000000 ] - [ -0.0006392800000000, 0.0008825600000000, 0.0000801300000000 ] - [ -0.0002014700000000, 0.0006839000000000, 0.0012947100000000 ] - [ -0.0002502200000000, 0.0008448800000000, 0.0012673900000000 ] - [ 0.0055444700000000, 0.0060740900000000, -0.0097068500000000 ] - [ 0.0035628700000000, 0.0022849200000000, -0.0011937100000000 ] - [ 0.0023275000000000, 0.0000815100000000, 0.0011076100000000 ] - [ 0.0023535200000000, 0.0001028200000000, 0.0009508800000000 ] - [ 0.0035599900000000, -0.0021968300000000, -0.0004295900000000 ] - [ 0.0035566600000000, -0.0022063700000000, -0.0004781400000000 ] - [ 0.0026039200000000, 0.0000664900000000, 0.0012816400000000 ] - [ 0.0023286200000000, -0.0001745100000000, 0.0006723800000000 ] - [ -0.0013489400000000, -0.0002103200000000, 0.0012737700000000 ] - [ -0.0013894000000000, -0.0001497000000000, 0.0004493400000000 ] - [ 0.0044796300000000, -0.0040340200000000, -0.0052113900000000 ] - [ 0.0004795900000000, -0.0025585500000000, -0.0023146500000000 ] - [ -0.0013242600000000, 0.0002071500000000, 0.0009006700000000 ] - [ -0.0013326900000000, 0.0001541800000000, 0.0006919500000000 ] - [ 0.0004274600000000, 0.0023951200000000, -0.0009576000000000 ] - [ 0.0004238600000000, 0.0023890600000000, -0.0010037000000000 ] - [ -0.0052488200000000, 0.0014842000000000, -0.0040337400000000 ] - [ -0.0052929800000000, 0.0013874700000000, -0.0039272200000000 ] - [ -0.0011255300000000, 0.0008521100000000, -0.0005370800000000 ] - [ -0.0009559100000000, 0.0005503000000000, -0.0004202700000000 ] - [ -0.0000193200000000, 0.0033044400000000, 0.0029200100000000 ] - [ 0.0009181500000000, 0.0010250600000000, 0.0027065600000000 ] - [ -0.0053102600000000, -0.0014149800000000, -0.0040880500000000 ] - [ -0.0052778600000000, -0.0014450200000000, -0.0039333600000000 ] - [ -0.0009158100000000, -0.0005953600000000, -0.0006186600000000 ] - [ -0.0009084200000000, -0.0006137000000000, -0.0005600400000000 ] - [ -0.0006661400000000, 0.0014300600000000, -0.0023101800000000 ] - [ -0.0006551700000000, 0.0014280500000000, -0.0022825700000000 ] - [ 0.0010134100000000, -0.0013506000000000, 0.0022106600000000 ] - [ 0.0010103500000000, -0.0013481500000000, 0.0022275700000000 ] - [ 0.0037119700000000, 0.0001804500000000, 0.0027922500000000 ] - [ 0.0037391400000000, 0.0002807900000000, 0.0029768500000000 ] - [ 0.0019992300000000, -0.0006863200000000, -0.0064675000000000 ] - [ -0.0006053000000000, -0.0016660200000000, -0.0018583200000000 ] - [ 0.0004710300000000, -0.0002025500000000, -0.0002093100000000 ] - [ 0.0012971200000000, -0.0004714000000000, 0.0017199500000000 ] - [ 0.0037738700000000, -0.0003305800000000, 0.0028227300000000 ] - [ 0.0036774500000000, -0.0001676400000000, 0.0029468400000000 ] - [ 0.0012548800000000, 0.0004376800000000, 0.0014233200000000 ] - [ 0.0012506000000000, 0.0004563500000000, 0.0014534800000000 ] - [ -0.0008378000000000, -0.0001018400000000, -0.0025006900000000 ] - [ -0.0007136000000000, 0.0002132000000000, -0.0024144100000000 ] - [ -0.0019223400000000, -0.0001284300000000, 0.0000299100000000 ] - [ -0.0026467900000000, -0.0005568100000000, -0.0005358200000000 ] - [ -0.0007304300000000, -0.0001579900000000, -0.0025243700000000 ] - [ -0.0007813300000000, -0.0000761900000000, -0.0024819900000000 ] - [ -0.0026106600000000, 0.0007928600000000, -0.0009526600000000 ] - [ -0.0026078200000000, 0.0007891600000000, -0.0009447800000000 ] - [ 0.0021161200000000, 0.0003167800000000, 0.0004187400000000 ] - [ 0.0015834900000000, 0.0009312000000000, 0.0011303700000000 ] - [ 0.0013110400000000, 0.0000728000000000, -0.0002116700000000 ] - [ 0.0013871600000000, -0.0000061200000000, -0.0001049600000000 ] - [ 0.0018550300000000, -0.0001984300000000, -0.0004047300000000 ] - [ 0.0014240500000000, -0.0006078800000000, -0.0000983400000000 ] - [ 0.0041104500000000, -0.0011022700000000, 0.0038196300000000 ] - [ 0.0031364900000000, -0.0011423900000000, 0.0034299900000000 ] - [ 0.0016849200000000, -0.0006915800000000, 0.0006951500000000 ] - [ 0.0016875200000000, -0.0006821400000000, 0.0007071400000000 ] - [ 0.0013505800000000, -0.0000232900000000, -0.0002337000000000 ] - [ 0.0013936800000000, -0.0000445500000000, -0.0001096000000000 ] - [ 0.0013952800000000, 0.0004865600000000, -0.0002411000000000 ] - [ 0.0013764500000000, 0.0004645500000000, -0.0001900900000000 ] - [ 0.0030924300000000, 0.0012229900000000, 0.0028270300000000 ] - [ 0.0031003100000000, 0.0012220100000000, 0.0028423800000000 ] - [ -0.0013742600000000, -0.0012345300000000, -0.0013626400000000 ] - [ -0.0013857400000000, -0.0012721000000000, -0.0013370400000000 ] - [ -0.0023576900000000, 0.0019618400000000, -0.0026026000000000 ] - [ -0.0013438300000000, 0.0012603500000000, -0.0010328600000000 ] - [ -0.0008971100000000, 0.0005012900000000, -0.0011847900000000 ] - [ -0.0009168400000000, 0.0005764100000000, -0.0011543800000000 ] - [ -0.0001172000000000, -0.0019292500000000, -0.0018005200000000 ] - [ -0.0013932600000000, -0.0001205500000000, -0.0000387100000000 ] - [ -0.0009838700000000, -0.0006585900000000, -0.0011784200000000 ] - [ -0.0008101900000000, -0.0003907500000000, -0.0010932700000000 ] - [ -0.0013952600000000, 0.0002864300000000, -0.0004349500000000 ] - [ -0.0013953900000000, 0.0003096900000000, -0.0004305500000000 ] - [ -0.0023903300000000, -0.0013467500000000, -0.0008322600000000 ] - [ -0.0023050800000000, -0.0011646000000000, -0.0004920400000000 ] - [ -0.0104706600000000, -0.0055486300000000, 0.0244817100000000 ] - [ -0.0020426800000000, -0.0007636600000000, 0.0013498900000000 ] - [ -0.0023241700000000, 0.0011769300000000, -0.0006419200000000 ] - [ -0.0022940600000000, 0.0012126800000000, -0.0006075500000000 ] - [ -0.0019344900000000, 0.0007497200000000, 0.0009400700000000 ] - [ -0.0019399200000000, 0.0007513000000000, 0.0009535200000000 ] - [ -0.0002521500000000, -0.0010595200000000, -0.0013190900000000 ] - [ -0.0004070800000000, 0.0011009000000000, 0.0004315400000000 ] - [ -0.0005125000000000, -0.0010186200000000, 0.0000214300000000 ] - [ -0.0005118200000000, -0.0010073200000000, 0.0000524300000000 ]- atom: 101 displacement: [ 0.0099999973277678, 0.0000000000000000, -0.0000073105839280 ] forces: - [ 0.0006547900000000, -0.0004800000000000, 0.0008250000000000 ] - [ 0.0006592700000000, -0.0005034100000000, 0.0008232500000000 ] - [ 0.0004407200000000, -0.0006807300000000, -0.0003097100000000 ] - [ 0.0002482700000000, -0.0002770300000000, 0.0000386300000000 ] - [ 0.0003072300000000, 0.0002467600000000, 0.0012799400000000 ] - [ 0.0000016900000000, 0.0010439600000000, 0.0014469900000000 ] - [ 0.0003479700000000, 0.0004868600000000, -0.0000748800000000 ] - [ 0.0003482000000000, 0.0004779800000000, -0.0000490500000000 ] - [ 0.0025114700000000, 0.0022228700000000, -0.0037288900000000 ] - [ -0.0009157600000000, -0.0011187600000000, 0.0000338900000000 ] - [ -0.0002170700000000, -0.0007190300000000, 0.0010167200000000 ] - [ -0.0002361300000000, -0.0007964100000000, 0.0009503700000000 ] - [ -0.0006479800000000, 0.0009054000000000, -0.0002355800000000 ] - [ -0.0006484900000000, 0.0009104600000000, -0.0002430500000000 ] - [ -0.0002276200000000, 0.0007765100000000, 0.0010164200000000 ] - [ -0.0001293800000000, 0.0006849700000000, 0.0007755600000000 ] - [ 0.0035518100000000, 0.0021562900000000, -0.0008485800000000 ] - [ 0.0034995300000000, 0.0020894800000000, -0.0006521800000000 ] - [ 0.0023417500000000, 0.0001168800000000, 0.0006436400000000 ] - [ 0.0023367100000000, 0.0001106100000000, 0.0006633000000000 ] - [ 0.0035414100000000, -0.0021848900000000, -0.0008000300000000 ] - [ 0.0035480800000000, -0.0022166500000000, -0.0008017800000000 ] - [ 0.0037106800000000, -0.0005456900000000, 0.0021639000000000 ] - [ 0.0024934500000000, -0.0003800200000000, 0.0006490800000000 ] - [ -0.0013416200000000, -0.0001725500000000, 0.0002838400000000 ] - [ -0.0013046300000000, -0.0002113600000000, 0.0003745700000000 ] - [ 0.0076267400000000, 0.0013831000000000, 0.0044950200000000 ] - [ 0.0004698900000000, -0.0028958500000000, -0.0015031500000000 ] - [ -0.0013158100000000, 0.0001443200000000, 0.0004734900000000 ] - [ -0.0013641500000000, 0.0001027400000000, 0.0003584500000000 ] - [ 0.0004237700000000, 0.0024018300000000, -0.0014654800000000 ] - [ 0.0004234400000000, 0.0023909800000000, -0.0014631900000000 ] - [ -0.0052715200000000, 0.0014057100000000, -0.0038119900000000 ] - [ -0.0052651400000000, 0.0014188000000000, -0.0038361200000000 ] - [ -0.0009108900000000, 0.0006052000000000, -0.0003873900000000 ] - [ -0.0009360100000000, 0.0006655400000000, -0.0004325400000000 ] - [ 0.0000968800000000, 0.0009660700000000, 0.0039636900000000 ] - [ 0.0009876500000000, 0.0014424100000000, 0.0023229300000000 ] - [ -0.0054956600000000, -0.0015911000000000, -0.0038039300000000 ] - [ -0.0053188500000000, -0.0013877300000000, -0.0038475000000000 ] - [ -0.0009275500000000, -0.0006227600000000, -0.0004623700000000 ] - [ -0.0009499400000000, -0.0006112300000000, -0.0004300500000000 ] - [ -0.0006386100000000, 0.0015184300000000, -0.0020711700000000 ] - [ -0.0006416000000000, 0.0015200500000000, -0.0020743000000000 ] - [ 0.0010089600000000, -0.0013162900000000, 0.0023859800000000 ] - [ 0.0010091100000000, -0.0013121300000000, 0.0023900100000000 ] - [ 0.0037119900000000, 0.0003199700000000, 0.0031123100000000 ] - [ 0.0037122800000000, 0.0003120900000000, 0.0030908300000000 ] - [ 0.0002311700000000, 0.0022891500000000, -0.0034157200000000 ] - [ -0.0005817100000000, -0.0017275500000000, -0.0021385600000000 ] - [ 0.0012750500000000, -0.0005006500000000, 0.0016317200000000 ] - [ 0.0012634600000000, -0.0004661700000000, 0.0015366600000000 ] - [ 0.0037236600000000, -0.0000458000000000, 0.0026563400000000 ] - [ 0.0036837200000000, -0.0002319500000000, 0.0030216200000000 ] - [ 0.0012703200000000, 0.0004635300000000, 0.0016040800000000 ] - [ 0.0012701300000000, 0.0004959200000000, 0.0016027200000000 ] - [ -0.0007504700000000, 0.0000915500000000, -0.0023797300000000 ] - [ -0.0007592600000000, 0.0000834700000000, -0.0024098300000000 ] - [ -0.0016362700000000, 0.0009641800000000, -0.0004326400000000 ] - [ -0.0020634800000000, -0.0002803000000000, -0.0009135500000000 ] - [ -0.0006774800000000, -0.0001585500000000, -0.0023763500000000 ] - [ -0.0007659600000000, -0.0000768200000000, -0.0024014200000000 ] - [ -0.0025991900000000, 0.0007206700000000, -0.0007961200000000 ] - [ -0.0026033800000000, 0.0007288400000000, -0.0008021600000000 ] - [ 0.0102082300000000, 0.0001365600000000, 0.0006392600000000 ] - [ 0.0017134600000000, 0.0008808600000000, 0.0008331700000000 ] - [ 0.0014119700000000, 0.0000032100000000, -0.0000020200000000 ] - [ 0.0014017900000000, 0.0000168400000000, -0.0000143900000000 ] - [ 0.0013301100000000, -0.0004922900000000, -0.0000637800000000 ] - [ 0.0013527100000000, -0.0004273900000000, -0.0000725700000000 ] - [ 0.0038240300000000, -0.0016981900000000, 0.0031612100000000 ] - [ 0.0031474700000000, -0.0010636500000000, 0.0029730800000000 ] - [ 0.0016610100000000, -0.0007504100000000, 0.0008838300000000 ] - [ 0.0016611900000000, -0.0007513700000000, 0.0008839700000000 ] - [ 0.0014971900000000, -0.0000578300000000, -0.0000052100000000 ] - [ 0.0014668000000000, 0.0000189600000000, -0.0000038500000000 ] - [ 0.0013507000000000, 0.0004614100000000, -0.0000845400000000 ] - [ 0.0013510900000000, 0.0004747400000000, -0.0000599000000000 ] - [ 0.0031504700000000, 0.0012327000000000, 0.0030008500000000 ] - [ 0.0031516200000000, 0.0012363000000000, 0.0030057500000000 ] - [ -0.0013668600000000, -0.0013097800000000, -0.0011427100000000 ] - [ -0.0013650100000000, -0.0013033000000000, -0.0011466400000000 ] - [ -0.0012336400000000, 0.0010727700000000, -0.0013391600000000 ] - [ -0.0011068000000000, 0.0016137400000000, -0.0008109800000000 ] - [ -0.0009406100000000, 0.0004983400000000, -0.0009944700000000 ] - [ -0.0009382000000000, 0.0004922600000000, -0.0010042500000000 ] - [ -0.0013460400000000, -0.0002304200000000, -0.0002040500000000 ] - [ -0.0014054600000000, -0.0003769100000000, -0.0004538000000000 ] - [ -0.0000868800000000, -0.0000457400000000, 0.0004222400000000 ] - [ -0.0008536300000000, -0.0004444400000000, -0.0010540200000000 ] - [ -0.0013888500000000, 0.0002855900000000, -0.0002447600000000 ] - [ -0.0013915300000000, 0.0002990700000000, -0.0002680200000000 ] - [ -0.0022908500000000, -0.0011862500000000, -0.0004755400000000 ] - [ -0.0022936200000000, -0.0011790100000000, -0.0005189600000000 ] - [ -0.0026758500000000, -0.0010452100000000, 0.0008115500000000 ] - [ -0.0021164600000000, -0.0004786400000000, 0.0009856900000000 ] - [ -0.0023420600000000, 0.0011508400000000, -0.0004819400000000 ] - [ -0.0022867900000000, 0.0012038600000000, -0.0005119200000000 ] - [ -0.0019970300000000, 0.0007602500000000, 0.0010962200000000 ] - [ -0.0019932700000000, 0.0007652600000000, 0.0010955300000000 ] - [ -0.0223775100000000, -0.0100870900000000, -0.0057049800000000 ] - [ -0.0004980300000000, 0.0011662500000000, 0.0001912600000000 ] - [ -0.0004868700000000, -0.0009969900000000, 0.0002247300000000 ] - [ -0.0004875900000000, -0.0009970200000000, 0.0002221800000000 ]- atom: 101 displacement: [ -0.0099999973277678, 0.0000000000000000, 0.0000073105839280 ] forces: - [ 0.0006622700000000, -0.0005017300000000, 0.0009272000000000 ] - [ 0.0006577200000000, -0.0004781400000000, 0.0009289300000000 ] - [ 0.0002522200000000, -0.0002900100000000, 0.0002835900000000 ] - [ 0.0004462200000000, -0.0006935600000000, -0.0000650400000000 ] - [ 0.0010106600000000, 0.0007370300000000, 0.0004742400000000 ] - [ 0.0013227300000000, -0.0000639200000000, 0.0003086800000000 ] - [ 0.0003448400000000, 0.0004834600000000, 0.0000490000000000 ] - [ 0.0003446200000000, 0.0004928600000000, 0.0000231700000000 ] - [ -0.0038963900000000, -0.0041233100000000, 0.0034486500000000 ] - [ -0.0003810400000000, -0.0006907700000000, -0.0004203200000000 ] - [ -0.0002510700000000, -0.0008135000000000, 0.0010147200000000 ] - [ -0.0002318700000000, -0.0007355700000000, 0.0010817800000000 ] - [ -0.0006470500000000, 0.0009055700000000, -0.0001524400000000 ] - [ -0.0006466000000000, 0.0009003800000000, -0.0001448900000000 ] - [ -0.0002405400000000, 0.0007569200000000, 0.0010155100000000 ] - [ -0.0003393200000000, 0.0008468600000000, 0.0012571600000000 ] - [ 0.0035393800000000, 0.0022455900000000, -0.0006560800000000 ] - [ 0.0035932600000000, 0.0023147400000000, -0.0008537300000000 ] - [ 0.0023366400000000, 0.0001084900000000, 0.0007656900000000 ] - [ 0.0023416600000000, 0.0001147100000000, 0.0007458200000000 ] - [ 0.0035515000000000, -0.0022183800000000, -0.0007063800000000 ] - [ 0.0035448300000000, -0.0021864300000000, -0.0007039700000000 ] - [ 0.0009690200000000, 0.0003223500000000, -0.0007600500000000 ] - [ 0.0021830600000000, 0.0001553700000000, 0.0007625100000000 ] - [ -0.0012947100000000, -0.0001794800000000, 0.0004963900000000 ] - [ -0.0013318200000000, -0.0001403000000000, 0.0004055900000000 ] - [ -0.0066010200000000, -0.0059930200000000, -0.0070573700000000 ] - [ 0.0003776900000000, -0.0018955800000000, -0.0012854100000000 ] - [ -0.0013208100000000, 0.0002077100000000, 0.0003034900000000 ] - [ -0.0012718400000000, 0.0002496400000000, 0.0004224000000000 ] - [ 0.0004242900000000, 0.0023902800000000, -0.0013280400000000 ] - [ 0.0004249400000000, 0.0024013400000000, -0.0013304600000000 ] - [ -0.0052664100000000, 0.0014209200000000, -0.0038950300000000 ] - [ -0.0052727900000000, 0.0014077800000000, -0.0038707400000000 ] - [ -0.0009326900000000, 0.0006448200000000, -0.0005322700000000 ] - [ -0.0009075600000000, 0.0005843400000000, -0.0004869600000000 ] - [ 0.0019115300000000, 0.0016741800000000, 0.0007578900000000 ] - [ 0.0010304900000000, 0.0011943100000000, 0.0024057700000000 ] - [ -0.0050427300000000, -0.0012357600000000, -0.0039029800000000 ] - [ -0.0052193600000000, -0.0014386500000000, -0.0038598000000000 ] - [ -0.0009160900000000, -0.0006273700000000, -0.0004566200000000 ] - [ -0.0008935700000000, -0.0006388200000000, -0.0004893000000000 ] - [ -0.0006473300000000, 0.0014943200000000, -0.0021380800000000 ] - [ -0.0006443500000000, 0.0014926500000000, -0.0021349700000000 ] - [ 0.0010093300000000, -0.0013209800000000, 0.0023434600000000 ] - [ 0.0010092200000000, -0.0013251100000000, 0.0023392800000000 ] - [ 0.0037193200000000, 0.0002921400000000, 0.0030362800000000 ] - [ 0.0037190400000000, 0.0002999300000000, 0.0030577100000000 ] - [ -0.0015231600000000, -0.0052789200000000, -0.0007953100000000 ] - [ -0.0007046300000000, -0.0012830900000000, -0.0020735600000000 ] - [ 0.0012598300000000, -0.0004610300000000, 0.0015301300000000 ] - [ 0.0012714600000000, -0.0004956700000000, 0.0016255700000000 ] - [ 0.0037075000000000, -0.0005648400000000, 0.0034912400000000 ] - [ 0.0037478100000000, -0.0003802000000000, 0.0031265500000000 ] - [ 0.0012646200000000, 0.0004984200000000, 0.0015583500000000 ] - [ 0.0012649500000000, 0.0004656800000000, 0.0015593800000000 ] - [ -0.0007650500000000, 0.0000938300000000, -0.0024372800000000 ] - [ -0.0007563700000000, 0.0001017900000000, -0.0024070100000000 ] - [ -0.0035636200000000, -0.0024263500000000, -0.0012097100000000 ] - [ -0.0031450700000000, -0.0011895900000000, -0.0007278400000000 ] - [ -0.0008389000000000, -0.0000257000000000, -0.0024403600000000 ] - [ -0.0007494700000000, -0.0001087800000000, -0.0024158400000000 ] - [ -0.0026067300000000, 0.0007480700000000, -0.0008443600000000 ] - [ -0.0026025000000000, 0.0007397800000000, -0.0008383200000000 ] - [ -0.0067571400000000, 0.0013563100000000, 0.0010897000000000 ] - [ 0.0016142300000000, 0.0006028300000000, 0.0008824800000000 ] - [ 0.0013883600000000, 0.0000238600000000, -0.0000634300000000 ] - [ 0.0013986300000000, 0.0000101500000000, -0.0000510100000000 ] - [ 0.0013647300000000, -0.0004342100000000, -0.0001160700000000 ] - [ 0.0013423400000000, -0.0004994600000000, -0.0001074200000000 ] - [ 0.0024632100000000, -0.0007659100000000, 0.0027955600000000 ] - [ 0.0031391000000000, -0.0014016500000000, 0.0029857400000000 ] - [ 0.0016669300000000, -0.0007337800000000, 0.0008329900000000 ] - [ 0.0016667000000000, -0.0007327600000000, 0.0008328600000000 ] - [ 0.0013056100000000, 0.0000298700000000, -0.0000585100000000 ] - [ 0.0013330800000000, -0.0000460400000000, -0.0000623100000000 ] - [ 0.0013441900000000, 0.0004651400000000, -0.0000949900000000 ] - [ 0.0013439200000000, 0.0004519200000000, -0.0001200800000000 ] - [ 0.0031362800000000, 0.0012328300000000, 0.0029585500000000 ] - [ 0.0031351400000000, 0.0012292900000000, 0.0029535000000000 ] - [ -0.0013693700000000, -0.0012878000000000, -0.0012042200000000 ] - [ -0.0013712300000000, -0.0012943600000000, -0.0012003700000000 ] - [ -0.0015036200000000, 0.0015254700000000, -0.0010111400000000 ] - [ -0.0016321800000000, 0.0009788400000000, -0.0015399200000000 ] - [ -0.0009306800000000, 0.0005033700000000, -0.0010495900000000 ] - [ -0.0009330600000000, 0.0005094100000000, -0.0010398100000000 ] - [ -0.0014366700000000, -0.0003577200000000, -0.0003639600000000 ] - [ -0.0013778200000000, -0.0002113900000000, -0.0001116600000000 ] - [ -0.0017884200000000, -0.0009590400000000, -0.0024874300000000 ] - [ -0.0010175500000000, -0.0005580100000000, -0.0009907500000000 ] - [ -0.0013942100000000, 0.0003026400000000, -0.0003229500000000 ] - [ -0.0013915400000000, 0.0002887400000000, -0.0002995800000000 ] - [ -0.0022933200000000, -0.0011906500000000, -0.0005513900000000 ] - [ -0.0022903200000000, -0.0011980600000000, -0.0005078500000000 ] - [ -0.0012959100000000, -0.0004810800000000, 0.0013325500000000 ] - [ -0.0018543300000000, -0.0010464900000000, 0.0011644200000000 ] - [ -0.0022416700000000, 0.0012265300000000, -0.0005445300000000 ] - [ -0.0022973200000000, 0.0011730000000000, -0.0005152800000000 ] - [ -0.0019763200000000, 0.0007629500000000, 0.0010544200000000 ] - [ -0.0019800900000000, 0.0007579100000000, 0.0010549900000000 ] - [ 0.0211748200000000, 0.0119556800000000, 0.0058044300000000 ] - [ -0.0004849600000000, 0.0008327500000000, 0.0002030600000000 ] - [ -0.0004951600000000, -0.0010013900000000, 0.0001704500000000 ] - [ -0.0004945500000000, -0.0010014000000000, 0.0001730000000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006610900000000, -0.0004796900000000, 0.0009182800000000 ] - [ 0.0006619500000000, -0.0005014600000000, 0.0009022100000000 ] - [ 0.0004193700000000, -0.0006894000000000, -0.0002689100000000 ] - [ 0.0004762900000000, -0.0004316900000000, 0.0002610000000000 ] - [ 0.0002632000000000, -0.0002511900000000, 0.0014027600000000 ] - [ 0.0011534800000000, 0.0006118700000000, 0.0001004200000000 ] - [ 0.0003494500000000, 0.0005312500000000, -0.0000135500000000 ] - [ 0.0003390400000000, 0.0004346000000000, 0.0000419300000000 ] - [ 0.0012909400000000, 0.0011007300000000, -0.0025507800000000 ] - [ -0.0006348500000000, -0.0017309300000000, -0.0002665400000000 ] - [ -0.0002560800000000, -0.0007381400000000, 0.0011302300000000 ] - [ -0.0002441900000000, -0.0008002000000000, 0.0009499700000000 ] - [ -0.0006463100000000, 0.0008920400000000, -0.0001594100000000 ] - [ -0.0006476800000000, 0.0009153900000000, -0.0001712300000000 ] - [ -0.0001784500000000, 0.0006026900000000, 0.0011821700000000 ] - [ -0.0001833300000000, 0.0008133000000000, 0.0007939000000000 ] - [ 0.0034812800000000, 0.0027303100000000, -0.0010550400000000 ] - [ 0.0035048700000000, 0.0019642200000000, -0.0005863600000000 ] - [ 0.0023384700000000, 0.0001305300000000, 0.0007312700000000 ] - [ 0.0023363800000000, 0.0000956500000000, 0.0007449800000000 ] - [ 0.0035478500000000, -0.0021708000000000, -0.0006765400000000 ] - [ 0.0035487800000000, -0.0022327800000000, -0.0007585200000000 ] - [ 0.0014376900000000, 0.0048946200000000, -0.0033652300000000 ] - [ 0.0023406300000000, -0.0006734200000000, 0.0002672300000000 ] - [ -0.0013037400000000, -0.0000506400000000, 0.0003786500000000 ] - [ -0.0012991100000000, -0.0002709700000000, 0.0004674500000000 ] - [ 0.0054542000000000, 0.0051251900000000, 0.0032778400000000 ] - [ 0.0005576300000000, -0.0035864100000000, -0.0012159200000000 ] - [ -0.0012916000000000, 0.0005109600000000, 0.0006401300000000 ] - [ -0.0013487900000000, -0.0000299500000000, 0.0002843500000000 ] - [ 0.0004244700000000, 0.0024145200000000, -0.0013422500000000 ] - [ 0.0004242100000000, 0.0023790400000000, -0.0013620600000000 ] - [ -0.0052740700000000, 0.0013958500000000, -0.0038947200000000 ] - [ -0.0052652100000000, 0.0014288500000000, -0.0038659800000000 ] - [ -0.0009057000000000, 0.0005390400000000, -0.0005917500000000 ] - [ -0.0009319000000000, 0.0006869700000000, -0.0004443200000000 ] - [ 0.0005017500000000, 0.0003223500000000, 0.0006557500000000 ] - [ 0.0010729100000000, 0.0016249000000000, 0.0022911000000000 ] - [ -0.0051067500000000, -0.0013465100000000, -0.0041144000000000 ] - [ -0.0052633100000000, -0.0013464800000000, -0.0037377600000000 ] - [ -0.0009238900000000, -0.0006279100000000, -0.0005443000000000 ] - [ -0.0009415100000000, -0.0006172700000000, -0.0004125600000000 ] - [ -0.0006436100000000, 0.0014912100000000, -0.0021302200000000 ] - [ -0.0006468200000000, 0.0015035900000000, -0.0021213600000000 ] - [ 0.0010106600000000, -0.0013243000000000, 0.0023365300000000 ] - [ 0.0010089900000000, -0.0013199600000000, 0.0023607800000000 ] - [ 0.0037143700000000, 0.0002968600000000, 0.0030686900000000 ] - [ 0.0037210900000000, 0.0003031900000000, 0.0030464400000000 ] - [ 0.0026726400000000, 0.0050720900000000, -0.0037112300000000 ] - [ -0.0009335700000000, -0.0001923800000000, -0.0022273500000000 ] - [ 0.0012666500000000, -0.0006142700000000, 0.0016775300000000 ] - [ 0.0012727200000000, -0.0004047900000000, 0.0014895100000000 ] - [ 0.0039318800000000, -0.0006129700000000, 0.0031300000000000 ] - [ 0.0036133700000000, -0.0000873000000000, 0.0030455600000000 ] - [ 0.0012856100000000, 0.0004375000000000, 0.0015471300000000 ] - [ 0.0012580200000000, 0.0005096300000000, 0.0015864500000000 ] - [ -0.0007754100000000, 0.0000692300000000, -0.0023899300000000 ] - [ -0.0007461500000000, 0.0001216500000000, -0.0024481000000000 ] - [ -0.0023702900000000, 0.0000327600000000, -0.0006316300000000 ] - [ -0.0020784900000000, -0.0002354500000000, -0.0008704000000000 ] - [ -0.0006603300000000, -0.0002231000000000, -0.0024079800000000 ] - [ -0.0008136500000000, 0.0000105900000000, -0.0024025400000000 ] - [ -0.0025984100000000, 0.0007279700000000, -0.0008286900000000 ] - [ -0.0026086200000000, 0.0007516100000000, -0.0008381100000000 ] - [ 0.0024350100000000, -0.0006090600000000, 0.0005333700000000 ] - [ 0.0014468400000000, 0.0012011600000000, 0.0010334800000000 ] - [ 0.0014019600000000, 0.0000023800000000, -0.0000442300000000 ] - [ 0.0013907900000000, 0.0000270100000000, -0.0000456000000000 ] - [ 0.0013357700000000, -0.0005244000000000, -0.0001014700000000 ] - [ 0.0013461400000000, -0.0004021200000000, -0.0000801900000000 ] - [ 0.0037604500000000, -0.0019036600000000, 0.0031176800000000 ] - [ 0.0030820100000000, -0.0010219700000000, 0.0029870100000000 ] - [ 0.0016658700000000, -0.0007358900000000, 0.0008398300000000 ] - [ 0.0016666900000000, -0.0007368900000000, 0.0008439600000000 ] - [ 0.0011107900000000, -0.0000331000000000, -0.0003153800000000 ] - [ 0.0014436200000000, 0.0000574500000000, 0.0001009100000000 ] - [ 0.0013670600000000, 0.0004683000000000, -0.0001573100000000 ] - [ 0.0013483700000000, 0.0004671300000000, -0.0000518400000000 ] - [ 0.0031335400000000, 0.0012323800000000, 0.0029516500000000 ] - [ 0.0031417900000000, 0.0012313500000000, 0.0029763000000000 ] - [ -0.0013713100000000, -0.0012996300000000, -0.0011910100000000 ] - [ -0.0013671900000000, -0.0012894200000000, -0.0011923200000000 ] - [ -0.0014154300000000, 0.0014816000000000, -0.0010819300000000 ] - [ -0.0011714700000000, 0.0017434300000000, -0.0006580600000000 ] - [ -0.0009351500000000, 0.0005007100000000, -0.0010234500000000 ] - [ -0.0009313600000000, 0.0005081400000000, -0.0010499400000000 ] - [ -0.0014494400000000, -0.0001853700000000, -0.0000696200000000 ] - [ -0.0014120800000000, -0.0003466000000000, -0.0004852900000000 ] - [ -0.0005320100000000, -0.0006294000000000, -0.0000114200000000 ] - [ -0.0007533000000000, -0.0002356300000000, -0.0010283500000000 ] - [ -0.0013957700000000, 0.0002610300000000, -0.0002844700000000 ] - [ -0.0013898100000000, 0.0003235300000000, -0.0003099500000000 ] - [ -0.0022833400000000, -0.0012157800000000, -0.0004954600000000 ] - [ -0.0023042700000000, -0.0011617700000000, -0.0005494700000000 ] - [ -0.0026072900000000, 0.0009338500000000, 0.0031138100000000 ] - [ -0.0021464600000000, -0.0003878200000000, 0.0009668600000000 ] - [ -0.0023292600000000, 0.0010887700000000, -0.0005680700000000 ] - [ -0.0022604600000000, 0.0012612200000000, -0.0005086900000000 ] - [ -0.0019843000000000, 0.0007509900000000, 0.0010558900000000 ] - [ -0.0019793500000000, 0.0007686400000000, 0.0010673900000000 ] - [ -0.0115654900000000, -0.0208313100000000, 0.0028214600000000 ] - [ -0.0003252100000000, 0.0013596100000000, 0.0002280600000000 ] - [ -0.0004934800000000, -0.0010025700000000, 0.0001790600000000 ] - [ -0.0004935700000000, -0.0009987000000000, 0.0001822700000000 ]- atom: 101 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006558100000000, -0.0005021600000000, 0.0008347600000000 ] - [ 0.0006549100000000, -0.0004801100000000, 0.0008507700000000 ] - [ 0.0002723400000000, -0.0002797100000000, 0.0002455400000000 ] - [ 0.0002184300000000, -0.0005407100000000, -0.0002865300000000 ] - [ 0.0010526200000000, 0.0012364700000000, 0.0003509700000000 ] - [ 0.0001628300000000, 0.0003629400000000, 0.0016529500000000 ] - [ 0.0003430500000000, 0.0004390500000000, -0.0000116600000000 ] - [ 0.0003535800000000, 0.0005361400000000, -0.0000669800000000 ] - [ -0.0026450000000000, -0.0029412400000000, 0.0022176400000000 ] - [ -0.0006588100000000, -0.0000757500000000, -0.0001218400000000 ] - [ -0.0002121200000000, -0.0007945100000000, 0.0009022700000000 ] - [ -0.0002238900000000, -0.0007316000000000, 0.0010829100000000 ] - [ -0.0006489300000000, 0.0009186900000000, -0.0002281200000000 ] - [ -0.0006476000000000, 0.0008952000000000, -0.0002162500000000 ] - [ -0.0002899400000000, 0.0009300500000000, 0.0008508500000000 ] - [ -0.0002847200000000, 0.0007183500000000, 0.0012393600000000 ] - [ 0.0036110200000000, 0.0016732000000000, -0.0004487400000000 ] - [ 0.0035881300000000, 0.0024397600000000, -0.0009202000000000 ] - [ 0.0023399500000000, 0.0000948100000000, 0.0006788400000000 ] - [ 0.0023420200000000, 0.0001295800000000, 0.0006648500000000 ] - [ 0.0035449000000000, -0.0022327300000000, -0.0008289900000000 ] - [ 0.0035440700000000, -0.0021706500000000, -0.0007465300000000 ] - [ 0.0032056700000000, -0.0050415400000000, 0.0046378800000000 ] - [ 0.0023380800000000, 0.0004495100000000, 0.0011456000000000 ] - [ -0.0013328000000000, -0.0003017100000000, 0.0004029300000000 ] - [ -0.0013376100000000, -0.0000813900000000, 0.0003134500000000 ] - [ -0.0044463100000000, -0.0098344300000000, -0.0059243000000000 ] - [ 0.0002895800000000, -0.0012011800000000, -0.0015823400000000 ] - [ -0.0013448500000000, -0.0001575100000000, 0.0001388400000000 ] - [ -0.0012878800000000, 0.0003824700000000, 0.0004978900000000 ] - [ 0.0004233000000000, 0.0023776400000000, -0.0014502000000000 ] - [ 0.0004238200000000, 0.0024133000000000, -0.0014306100000000 ] - [ -0.0052641600000000, 0.0014303700000000, -0.0038122400000000 ] - [ -0.0052730100000000, 0.0013973100000000, -0.0038406800000000 ] - [ -0.0009381500000000, 0.0007103400000000, -0.0003284100000000 ] - [ -0.0009117800000000, 0.0005622100000000, -0.0004754000000000 ] - [ 0.0015102900000000, 0.0023266500000000, 0.0040584300000000 ] - [ 0.0009445000000000, 0.0010105400000000, 0.0024391400000000 ] - [ -0.0054327800000000, -0.0014808300000000, -0.0035902800000000 ] - [ -0.0052749000000000, -0.0014795800000000, -0.0039693600000000 ] - [ -0.0009199300000000, -0.0006218500000000, -0.0003747700000000 ] - [ -0.0009024900000000, -0.0006322900000000, -0.0005071600000000 ] - [ -0.0006427500000000, 0.0015212400000000, -0.0020797000000000 ] - [ -0.0006395400000000, 0.0015088300000000, -0.0020885500000000 ] - [ 0.0010072200000000, -0.0013127000000000, 0.0023930800000000 ] - [ 0.0010089500000000, -0.0013169800000000, 0.0023687100000000 ] - [ 0.0037165400000000, 0.0003149500000000, 0.0030795600000000 ] - [ 0.0037098700000000, 0.0003086100000000, 0.0031018800000000 ] - [ -0.0038861800000000, -0.0079518800000000, -0.0005222700000000 ] - [ -0.0003430400000000, -0.0028483000000000, -0.0019826900000000 ] - [ 0.0012679900000000, -0.0003471000000000, 0.0014841400000000 ] - [ 0.0012620400000000, -0.0005568100000000, 0.0016727900000000 ] - [ 0.0034973800000000, 0.0000001600000000, 0.0030227900000000 ] - [ 0.0038176700000000, -0.0005247800000000, 0.0031021000000000 ] - [ 0.0012491400000000, 0.0005241500000000, 0.0016149900000000 ] - [ 0.0012767200000000, 0.0004517900000000, 0.0015754000000000 ] - [ -0.0007399700000000, 0.0001166200000000, -0.0024273400000000 ] - [ -0.0007691500000000, 0.0000643700000000, -0.0023690600000000 ] - [ -0.0028440500000000, -0.0015130600000000, -0.0010162900000000 ] - [ -0.0031286500000000, -0.0012338000000000, -0.0007691800000000 ] - [ -0.0008557500000000, 0.0000378500000000, -0.0024089200000000 ] - [ -0.0007015500000000, -0.0001968500000000, -0.0024150100000000 ] - [ -0.0026075000000000, 0.0007402100000000, -0.0008113500000000 ] - [ -0.0025972900000000, 0.0007164900000000, -0.0008019700000000 ] - [ 0.0008760000000000, 0.0020944600000000, 0.0011800500000000 ] - [ 0.0018824700000000, 0.0002809000000000, 0.0006834600000000 ] - [ 0.0013982400000000, 0.0000245300000000, -0.0000214000000000 ] - [ 0.0014095100000000, -0.0000002000000000, -0.0000198500000000 ] - [ 0.0013596000000000, -0.0004025900000000, -0.0000789600000000 ] - [ 0.0013491200000000, -0.0005253300000000, -0.0001000300000000 ] - [ 0.0025265000000000, -0.0005616600000000, 0.0028431500000000 ] - [ 0.0032048800000000, -0.0014452000000000, 0.0029726500000000 ] - [ 0.0016621900000000, -0.0007479500000000, 0.0008766500000000 ] - [ 0.0016613300000000, -0.0007468700000000, 0.0008725300000000 ] - [ 0.0016887600000000, 0.0000053900000000, 0.0002496100000000 ] - [ 0.0013561900000000, -0.0000841600000000, -0.0001670200000000 ] - [ 0.0013282800000000, 0.0004584900000000, -0.0000226400000000 ] - [ 0.0013471800000000, 0.0004599200000000, -0.0001285300000000 ] - [ 0.0031529000000000, 0.0012333300000000, 0.0030077100000000 ] - [ 0.0031446700000000, 0.0012344500000000, 0.0029829200000000 ] - [ -0.0013650800000000, -0.0012981700000000, -0.0011561200000000 ] - [ -0.0013692200000000, -0.0013084600000000, -0.0011548500000000 ] - [ -0.0013189800000000, 0.0011144000000000, -0.0012655100000000 ] - [ -0.0015701000000000, 0.0008480700000000, -0.0016918900000000 ] - [ -0.0009363000000000, 0.0005009900000000, -0.0010210300000000 ] - [ -0.0009400800000000, 0.0004936000000000, -0.0009945800000000 ] - [ -0.0013343900000000, -0.0004029400000000, -0.0004982800000000 ] - [ -0.0013713400000000, -0.0002407600000000, -0.0000810400000000 ] - [ -0.0013405500000000, -0.0003685300000000, -0.0020349400000000 ] - [ -0.0011174800000000, -0.0007671100000000, -0.0010162800000000 ] - [ -0.0013875700000000, 0.0003269000000000, -0.0002832300000000 ] - [ -0.0013934900000000, 0.0002640700000000, -0.0002578100000000 ] - [ -0.0023017300000000, -0.0011612000000000, -0.0005317500000000 ] - [ -0.0022806900000000, -0.0012151800000000, -0.0004773700000000 ] - [ -0.0013689900000000, -0.0024349100000000, -0.0009369100000000 ] - [ -0.0018271100000000, -0.0011342000000000, 0.0011842000000000 ] - [ -0.0022554100000000, 0.0012881600000000, -0.0004588900000000 ] - [ -0.0023246600000000, 0.0011154700000000, -0.0005187000000000 ] - [ -0.0019894000000000, 0.0007720100000000, 0.0010949900000000 ] - [ -0.0019943200000000, 0.0007543500000000, 0.0010833800000000 ] - [ 0.0104763000000000, 0.0225783300000000, -0.0024772300000000 ] - [ -0.0006587200000000, 0.0006367900000000, 0.0001674900000000 ] - [ -0.0004889100000000, -0.0009957000000000, 0.0002159300000000 ] - [ -0.0004889300000000, -0.0009996000000000, 0.0002127400000000 ]- atom: 101 displacement: [ -0.0003478290353365, 0.0000000000000000, 0.0099939489173288 ] forces: - [ 0.0006411500000000, -0.0004809500000000, 0.0004700800000000 ] - [ 0.0006514600000000, -0.0005245000000000, 0.0004952700000000 ] - [ 0.0003802100000000, -0.0007332700000000, -0.0001571900000000 ] - [ -0.0001738900000000, 0.0000247400000000, -0.0003906500000000 ] - [ 0.0007396300000000, 0.0008768200000000, 0.0013273900000000 ] - [ 0.0013563300000000, -0.0004506600000000, 0.0012971000000000 ] - [ 0.0003449700000000, 0.0003726000000000, -0.0004096200000000 ] - [ 0.0003691300000000, 0.0005487900000000, -0.0003425200000000 ] - [ -0.0043369600000000, -0.0038643600000000, 0.0061195000000000 ] - [ -0.0005478800000000, -0.0012683900000000, 0.0008534800000000 ] - [ -0.0001587700000000, -0.0006752100000000, 0.0006360400000000 ] - [ -0.0002429300000000, -0.0008304300000000, 0.0007417500000000 ] - [ -0.0006544400000000, 0.0009336500000000, -0.0005215700000000 ] - [ -0.0006541400000000, 0.0009073800000000, -0.0005384100000000 ] - [ -0.0002934400000000, 0.0010303300000000, 0.0008328700000000 ] - [ -0.0000724700000000, 0.0004348400000000, 0.0005452000000000 ] - [ 0.0039092300000000, 0.0018459600000000, -0.0014284200000000 ] - [ 0.0035433200000000, 0.0023315000000000, -0.0007531500000000 ] - [ 0.0023467700000000, 0.0001087300000000, 0.0002920200000000 ] - [ 0.0023350500000000, 0.0001447100000000, 0.0003395500000000 ] - [ 0.0035138400000000, -0.0021757900000000, -0.0011856900000000 ] - [ 0.0035441400000000, -0.0022211700000000, -0.0010432700000000 ] - [ 0.0033289000000000, -0.0028928200000000, 0.0050116800000000 ] - [ 0.0023576100000000, -0.0002552600000000, 0.0011635700000000 ] - [ -0.0013896300000000, -0.0003325900000000, -0.0001801500000000 ] - [ -0.0013082400000000, -0.0000920300000000, 0.0000287600000000 ] - [ 0.0059895500000000, 0.0006750200000000, 0.0088906500000000 ] - [ 0.0004199900000000, -0.0021101100000000, 0.0000196100000000 ] - [ -0.0013653000000000, 0.0004047900000000, -0.0005117700000000 ] - [ -0.0013362400000000, 0.0000643400000000, 0.0002583900000000 ] - [ 0.0004233500000000, 0.0024007900000000, -0.0019270700000000 ] - [ 0.0004200800000000, 0.0023999700000000, -0.0018833200000000 ] - [ -0.0052624700000000, 0.0014042600000000, -0.0035947100000000 ] - [ -0.0052544200000000, 0.0013984300000000, -0.0037115400000000 ] - [ -0.0009317200000000, 0.0007188500000000, -0.0000236200000000 ] - [ -0.0009327700000000, 0.0006428800000000, -0.0003803000000000 ] - [ 0.0022397500000000, 0.0004832700000000, 0.0100545600000000 ] - [ 0.0010531200000000, 0.0014534200000000, 0.0021910000000000 ] - [ -0.0055990300000000, -0.0017310600000000, -0.0036693700000000 ] - [ -0.0052896200000000, -0.0012779500000000, -0.0038530100000000 ] - [ -0.0008863700000000, -0.0007244700000000, -0.0002807000000000 ] - [ -0.0009684600000000, -0.0005902700000000, -0.0003550100000000 ] - [ -0.0006198900000000, 0.0016124200000000, -0.0018517000000000 ] - [ -0.0006214000000000, 0.0015993200000000, -0.0018785500000000 ] - [ 0.0010048800000000, -0.0012930000000000, 0.0025456000000000 ] - [ 0.0010112900000000, -0.0012727000000000, 0.0025329500000000 ] - [ 0.0036933200000000, 0.0004005100000000, 0.0033003500000000 ] - [ 0.0036809600000000, 0.0003570200000000, 0.0032611200000000 ] - [ -0.0017605800000000, -0.0028078400000000, -0.0033207900000000 ] - [ -0.0006895100000000, -0.0009390600000000, -0.0028793800000000 ] - [ 0.0013469500000000, -0.0003885400000000, 0.0017581100000000 ] - [ 0.0012358600000000, -0.0006113200000000, 0.0016716700000000 ] - [ 0.0033185600000000, -0.0007369900000000, 0.0041413100000000 ] - [ 0.0037600000000000, -0.0002925100000000, 0.0029467400000000 ] - [ 0.0012883400000000, 0.0005333300000000, 0.0018308900000000 ] - [ 0.0012898500000000, 0.0005120700000000, 0.0017031300000000 ] - [ -0.0007170600000000, 0.0001397200000000, -0.0023075700000000 ] - [ -0.0007977500000000, -0.0000204800000000, -0.0022748000000000 ] - [ -0.0019162300000000, 0.0007049200000000, -0.0005526200000000 ] - [ -0.0032076300000000, -0.0014654900000000, -0.0011365800000000 ] - [ -0.0008050300000000, 0.0000437600000000, -0.0021592300000000 ] - [ -0.0007207100000000, -0.0001435000000000, -0.0023754200000000 ] - [ -0.0026006200000000, 0.0006683100000000, -0.0006554500000000 ] - [ -0.0025939200000000, 0.0006643500000000, -0.0006710000000000 ] - [ 0.0018312100000000, 0.0003846700000000, -0.0010053900000000 ] - [ 0.0016848900000000, 0.0006009300000000, 0.0004081600000000 ] - [ 0.0014526000000000, -0.0000102500000000, 0.0001553400000000 ] - [ 0.0014372700000000, -0.0000062500000000, 0.0001064800000000 ] - [ 0.0013017500000000, -0.0004533700000000, 0.0000714900000000 ] - [ 0.0013292500000000, -0.0004390000000000, -0.0000198900000000 ] - [ 0.0032777400000000, -0.0012670700000000, 0.0030574800000000 ] - [ 0.0030955600000000, -0.0011624200000000, 0.0028236400000000 ] - [ 0.0016335600000000, -0.0008111900000000, 0.0010540400000000 ] - [ 0.0016346600000000, -0.0008118000000000, 0.0010487000000000 ] - [ 0.0017555100000000, -0.0002342400000000, 0.0002298600000000 ] - [ 0.0013965100000000, 0.0001297300000000, -0.0000332200000000 ] - [ 0.0012463500000000, 0.0003930000000000, 0.0000820600000000 ] - [ 0.0013369000000000, 0.0005108800000000, 0.0000008100000000 ] - [ 0.0032026700000000, 0.0012337300000000, 0.0031608600000000 ] - [ 0.0031911100000000, 0.0012554300000000, 0.0031446200000000 ] - [ -0.0013546800000000, -0.0013559400000000, -0.0009491400000000 ] - [ -0.0013550000000000, -0.0013504700000000, -0.0009658200000000 ] - [ -0.0011175000000000, 0.0007095300000000, -0.0019721000000000 ] - [ -0.0012902600000000, 0.0012910300000000, -0.0018614100000000 ] - [ -0.0009686700000000, 0.0004695000000000, -0.0008541400000000 ] - [ -0.0009651000000000, 0.0004337300000000, -0.0008381600000000 ] - [ -0.0014646000000000, -0.0000867600000000, -0.0001541800000000 ] - [ -0.0013198000000000, -0.0004692500000000, -0.0001703700000000 ] - [ 0.0004032400000000, 0.0004215200000000, 0.0008231200000000 ] - [ -0.0009437700000000, -0.0006656200000000, -0.0011852800000000 ] - [ -0.0013903200000000, 0.0003248500000000, -0.0000739200000000 ] - [ -0.0013831200000000, 0.0002515000000000, -0.0001253300000000 ] - [ -0.0022879800000000, -0.0011264800000000, -0.0003566800000000 ] - [ -0.0022575700000000, -0.0012249200000000, -0.0004162700000000 ] - [ -0.0025678500000000, 0.0015193800000000, 0.0025785700000000 ] - [ -0.0017908300000000, -0.0010105500000000, 0.0008503200000000 ] - [ -0.0022599600000000, 0.0011882400000000, -0.0003160900000000 ] - [ -0.0022957000000000, 0.0011871400000000, -0.0004724000000000 ] - [ -0.0020479700000000, 0.0007800800000000, 0.0012476700000000 ] - [ -0.0020427500000000, 0.0007730600000000, 0.0012169600000000 ] - [ -0.0055145800000000, 0.0039315900000000, -0.0289094400000000 ] - [ -0.0004946600000000, 0.0010251200000000, -0.0002289400000000 ] - [ -0.0004618600000000, -0.0009824100000000, 0.0004017000000000 ] - [ -0.0004643700000000, -0.0009857100000000, 0.0003901400000000 ]- atom: 101 displacement: [ 0.0003478290353365, 0.0000000000000000, -0.0099939489173288 ] forces: - [ 0.0006758100000000, -0.0005000800000000, 0.0012832000000000 ] - [ 0.0006655800000000, -0.0004566900000000, 0.0012580800000000 ] - [ 0.0003120700000000, -0.0002367500000000, 0.0001337600000000 ] - [ 0.0008617700000000, -0.0009940000000000, 0.0003693800000000 ] - [ 0.0005780500000000, 0.0001043900000000, 0.0004164000000000 ] - [ -0.0000416800000000, 0.0014348900000000, 0.0004437400000000 ] - [ 0.0003474500000000, 0.0005984800000000, 0.0003863400000000 ] - [ 0.0003230100000000, 0.0004204500000000, 0.0003188000000000 ] - [ 0.0029176500000000, 0.0019458200000000, -0.0064206700000000 ] - [ -0.0007468700000000, -0.0005404700000000, -0.0012399200000000 ] - [ -0.0003076700000000, -0.0008559500000000, 0.0013980500000000 ] - [ -0.0002242700000000, -0.0007011200000000, 0.0012923800000000 ] - [ -0.0006402000000000, 0.0008762100000000, 0.0001355500000000 ] - [ -0.0006405300000000, 0.0009028400000000, 0.0001524700000000 ] - [ -0.0001732400000000, 0.0004987100000000, 0.0011999200000000 ] - [ -0.0003967000000000, 0.0010992600000000, 0.0014884700000000 ] - [ 0.0031878700000000, 0.0025571500000000, -0.0000725900000000 ] - [ 0.0035508900000000, 0.0020724200000000, -0.0007492500000000 ] - [ 0.0023319800000000, 0.0001167700000000, 0.0011187000000000 ] - [ 0.0023435300000000, 0.0000809300000000, 0.0010711600000000 ] - [ 0.0035805000000000, -0.0022288400000000, -0.0003170800000000 ] - [ 0.0035499300000000, -0.0021831700000000, -0.0004606700000000 ] - [ 0.0012957500000000, 0.0028156000000000, -0.0037649700000000 ] - [ 0.0023207300000000, 0.0000288600000000, 0.0002407100000000 ] - [ -0.0012481300000000, -0.0000212400000000, 0.0009633400000000 ] - [ -0.0013284100000000, -0.0002602500000000, 0.0007544400000000 ] - [ -0.0049180600000000, -0.0052965200000000, -0.0115463700000000 ] - [ 0.0004286500000000, -0.0026847400000000, -0.0028115700000000 ] - [ -0.0012699300000000, -0.0000538700000000, 0.0012978500000000 ] - [ -0.0013003300000000, 0.0002886700000000, 0.0005210700000000 ] - [ 0.0004243600000000, 0.0023914600000000, -0.0008637800000000 ] - [ 0.0004277500000000, 0.0023923100000000, -0.0009078400000000 ] - [ -0.0052734100000000, 0.0014247400000000, -0.0041158800000000 ] - [ -0.0052813500000000, 0.0014305200000000, -0.0039998400000000 ] - [ -0.0009108900000000, 0.0005333400000000, -0.0008908800000000 ] - [ -0.0009096600000000, 0.0006086400000000, -0.0005371700000000 ] - [ -0.0001866500000000, 0.0021312400000000, -0.0051468100000000 ] - [ 0.0009668600000000, 0.0011863200000000, 0.0025358100000000 ] - [ -0.0049337600000000, -0.0010959400000000, -0.0040417500000000 ] - [ -0.0052460600000000, -0.0015512300000000, -0.0038562500000000 ] - [ -0.0009567400000000, -0.0005263500000000, -0.0006367200000000 ] - [ -0.0008737300000000, -0.0006618800000000, -0.0005616600000000 ] - [ -0.0006655000000000, 0.0014026100000000, -0.0023553900000000 ] - [ -0.0006639900000000, 0.0014157100000000, -0.0023285100000000 ] - [ 0.0010151900000000, -0.0013459900000000, 0.0021812800000000 ] - [ 0.0010087700000000, -0.0013665000000000, 0.0021939600000000 ] - [ 0.0037386800000000, 0.0002084800000000, 0.0028428000000000 ] - [ 0.0037510600000000, 0.0002517400000000, 0.0028818000000000 ] - [ 0.0004659900000000, -0.0002232700000000, -0.0008717500000000 ] - [ -0.0005966700000000, -0.0020720600000000, -0.0013237100000000 ] - [ 0.0011877900000000, -0.0005747000000000, 0.0014044400000000 ] - [ 0.0012989000000000, -0.0003520600000000, 0.0014922500000000 ] - [ 0.0041206000000000, 0.0001375300000000, 0.0019810900000000 ] - [ 0.0036715300000000, -0.0003173000000000, 0.0031993100000000 ] - [ 0.0012465100000000, 0.0004296000000000, 0.0013324600000000 ] - [ 0.0012450700000000, 0.0004511700000000, 0.0014614700000000 ] - [ -0.0008008500000000, 0.0000435300000000, -0.0025089700000000 ] - [ -0.0007202500000000, 0.0002032900000000, -0.0025414700000000 ] - [ -0.0032925000000000, -0.0021740500000000, -0.0010846000000000 ] - [ -0.0020012900000000, -0.0000057100000000, -0.0005048600000000 ] - [ -0.0007124300000000, -0.0002280700000000, -0.0026582800000000 ] - [ -0.0007976800000000, -0.0000388200000000, -0.0024403800000000 ] - [ -0.0026073000000000, 0.0008029100000000, -0.0009862300000000 ] - [ -0.0026141000000000, 0.0008069600000000, -0.0009706400000000 ] - [ 0.0014771800000000, 0.0011004600000000, 0.0027242400000000 ] - [ 0.0016396300000000, 0.0008859800000000, 0.0013120700000000 ] - [ 0.0013438100000000, 0.0000396100000000, -0.0002251900000000 ] - [ 0.0013590600000000, 0.0000356300000000, -0.0001764000000000 ] - [ 0.0013916600000000, -0.0004715600000000, -0.0002493700000000 ] - [ 0.0013638200000000, -0.0004861000000000, -0.0001577000000000 ] - [ 0.0030036400000000, -0.0011971200000000, 0.0028967100000000 ] - [ 0.0031875800000000, -0.0013012000000000, 0.0031328900000000 ] - [ 0.0016916800000000, -0.0006750700000000, 0.0006647900000000 ] - [ 0.0016904500000000, -0.0006746200000000, 0.0006702300000000 ] - [ 0.0010373900000000, 0.0002062200000000, -0.0003007400000000 ] - [ 0.0014001200000000, -0.0001596500000000, -0.0000348000000000 ] - [ 0.0014473900000000, 0.0005325200000000, -0.0002595700000000 ] - [ 0.0013558800000000, 0.0004136000000000, -0.0001775100000000 ] - [ 0.0030805100000000, 0.0012305500000000, 0.0027955900000000 ] - [ 0.0030922200000000, 0.0012086700000000, 0.0028120100000000 ] - [ -0.0013827800000000, -0.0012398800000000, -0.0013972200000000 ] - [ -0.0013824800000000, -0.0012453100000000, -0.0013805200000000 ] - [ -0.0016200500000000, 0.0018866900000000, -0.0003691500000000 ] - [ -0.0014462500000000, 0.0013071900000000, -0.0004787800000000 ] - [ -0.0009038700000000, 0.0005305600000000, -0.0011932000000000 ] - [ -0.0009074200000000, 0.0005661700000000, -0.0012091600000000 ] - [ -0.0013179000000000, -0.0005015400000000, -0.0004136500000000 ] - [ -0.0014609400000000, -0.0001178700000000, -0.0004002300000000 ] - [ -0.0023048000000000, -0.0014345300000000, -0.0029102200000000 ] - [ -0.0009294900000000, -0.0003330000000000, -0.0008592800000000 ] - [ -0.0013920800000000, 0.0002630200000000, -0.0004939000000000 ] - [ -0.0013993500000000, 0.0003371000000000, -0.0004421900000000 ] - [ -0.0022940100000000, -0.0012524000000000, -0.0006701000000000 ] - [ -0.0023243600000000, -0.0011542100000000, -0.0006105400000000 ] - [ -0.0014054500000000, -0.0030194600000000, -0.0004118000000000 ] - [ -0.0021815600000000, -0.0005111600000000, 0.0012984000000000 ] - [ -0.0023221500000000, 0.0011904000000000, -0.0007102100000000 ] - [ -0.0022859400000000, 0.0011919300000000, -0.0005535100000000 ] - [ -0.0019227500000000, 0.0007448900000000, 0.0009016200000000 ] - [ -0.0019279700000000, 0.0007520100000000, 0.0009325400000000 ] - [ 0.0045085600000000, -0.0021370000000000, 0.0290765900000000 ] - [ -0.0004848000000000, 0.0009754000000000, 0.0006284300000000 ] - [ -0.0005180900000000, -0.0010180400000000, -0.0000034200000000 ] - [ -0.0005155900000000, -0.0010148100000000, 0.0000082300000000 ]