# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0bcf3679-3df8-409a-b6eb-e2d470911310/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 Hg2Te2O7 / Aea2 (41) / materials id 560456](https://mdr.nims.go.jp/datasets/589e08b9-c398-4e02-99e2-53c2b0c4b95f) ## 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: "Aea2" number: 41 Hall_symbol: "A 2 -2ac"primitive_matrix:- [ 1.000000000000000, 0.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.500000000000000, -0.500000000000000 ]- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.466260750000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.918689680000000, 6.817542460000000 ] # b - [ 0.000000000000000, -11.918689680000000, 6.817542460000000 ] # c points: - symbol: Hg # 1 coordinates: [ 0.521480050000000, 0.726220850000000, 0.235518490000000 ] mass: 200.590000 - symbol: Hg # 2 coordinates: [ 0.953023740000000, 0.753114370000000, 0.494274510000000 ] mass: 200.590000 - symbol: Hg # 3 coordinates: [ 0.046976260000000, 0.494274510000000, 0.753114370000000 ] mass: 200.590000 - symbol: Hg # 4 coordinates: [ 0.478519950000000, 0.235518490000000, 0.726220850000000 ] mass: 200.590000 - symbol: Hg # 5 coordinates: [ 0.951254010000000, 0.011207620000000, 0.251944560000000 ] mass: 200.590000 - symbol: Hg # 6 coordinates: [ 0.000000000000000, 0.284392400000000, 0.284392400000000 ] mass: 200.590000 - symbol: Hg # 7 coordinates: [ 0.500000000000000, 0.291105570000000, 0.291105570000000 ] mass: 200.590000 - symbol: Hg # 8 coordinates: [ 0.000000000000000, 0.791105570000000, 0.791105570000000 ] mass: 200.590000 - symbol: Hg # 9 coordinates: [ 0.978519950000000, 0.226220850000000, 0.735518490000000 ] mass: 200.590000 - symbol: Hg # 10 coordinates: [ 0.453023740000000, 0.994274510000000, 0.253114370000000 ] mass: 200.590000 - symbol: Hg # 11 coordinates: [ 0.546976260000000, 0.253114370000000, 0.994274510000000 ] mass: 200.590000 - symbol: Hg # 12 coordinates: [ 0.048745990000000, 0.251944560000000, 0.011207620000000 ] mass: 200.590000 - symbol: Hg # 13 coordinates: [ 0.451254010000000, 0.751944560000000, 0.511207620000000 ] mass: 200.590000 - symbol: Hg # 14 coordinates: [ 0.500000000000000, 0.784392400000000, 0.784392400000000 ] mass: 200.590000 - symbol: Hg # 15 coordinates: [ 0.548745990000000, 0.511207620000000, 0.751944560000000 ] mass: 200.590000 - symbol: Hg # 16 coordinates: [ 0.021480050000000, 0.735518490000000, 0.226220850000000 ] mass: 200.590000 - symbol: Te # 17 coordinates: [ 0.739478170000000, 0.967182970000000, 0.464566290000000 ] mass: 127.600000 - symbol: Te # 18 coordinates: [ 0.250315380000000, 0.041653850000000, 0.042845850000000 ] mass: 127.600000 - symbol: Te # 19 coordinates: [ 0.260521830000000, 0.464566290000000, 0.967182970000000 ] mass: 127.600000 - symbol: Te # 20 coordinates: [ 0.750315380000000, 0.542845850000000, 0.541653850000000 ] mass: 127.600000 - symbol: Te # 21 coordinates: [ 0.249941250000000, 0.027765480000000, 0.753236840000000 ] mass: 127.600000 - symbol: Te # 22 coordinates: [ 0.760521830000000, 0.467182970000000, 0.964566290000000 ] mass: 127.600000 - symbol: Te # 23 coordinates: [ 0.756758770000000, 0.483043150000000, 0.251530490000000 ] mass: 127.600000 - symbol: Te # 24 coordinates: [ 0.750058750000000, 0.753236840000000, 0.027765480000000 ] mass: 127.600000 - symbol: Te # 25 coordinates: [ 0.743241230000000, 0.983043150000000, 0.751530490000000 ] mass: 127.600000 - symbol: Te # 26 coordinates: [ 0.256758770000000, 0.751530490000000, 0.983043150000000 ] mass: 127.600000 - symbol: Te # 27 coordinates: [ 0.250058750000000, 0.527765480000000, 0.253236840000000 ] mass: 127.600000 - symbol: Te # 28 coordinates: [ 0.243241230000000, 0.251530490000000, 0.483043150000000 ] mass: 127.600000 - symbol: Te # 29 coordinates: [ 0.749941250000000, 0.253236840000000, 0.527765480000000 ] mass: 127.600000 - symbol: Te # 30 coordinates: [ 0.249684620000000, 0.541653850000000, 0.542845850000000 ] mass: 127.600000 - symbol: Te # 31 coordinates: [ 0.749684620000000, 0.042845850000000, 0.041653850000000 ] mass: 127.600000 - symbol: Te # 32 coordinates: [ 0.239478170000000, 0.964566290000000, 0.467182970000000 ] mass: 127.600000 - symbol: O # 33 coordinates: [ 0.706966820000000, 0.917982280000000, 0.065831960000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.793033180000000, 0.417982280000000, 0.565831960000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.694101210000000, 0.633388630000000, 0.698514430000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.185697630000000, 0.591254560000000, 0.951603040000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.441910470000000, 0.209404530000000, 0.377112250000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.805898790000000, 0.133388630000000, 0.198514430000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.274182460000000, 0.506407300000000, 0.662576100000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.685697630000000, 0.451603040000000, 0.091254560000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.731702510000000, 0.308093780000000, 0.865255860000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.947010690000000, 0.820762030000000, 0.135380270000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.558089530000000, 0.377112250000000, 0.209404530000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.058089530000000, 0.709404530000000, 0.877112250000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.783211930000000, 0.629470340000000, 0.074068440000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.042014720000000, 0.189114480000000, 0.384596600000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.725817540000000, 0.662576100000000, 0.506407300000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.000000000000000, 0.589768920000000, 0.589768920000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.193009870000000, 0.380889640000000, 0.442088940000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.941910470000000, 0.877112250000000, 0.709404530000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.992274190000000, 0.994435970000000, 0.439432470000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.192938680000000, 0.845440410000000, 0.500337850000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.814302370000000, 0.951603040000000, 0.591254560000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.447010690000000, 0.635380270000000, 0.320762030000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.716788070000000, 0.129470340000000, 0.574068440000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.494078480000000, 0.494078480000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.542014720000000, 0.884596600000000, 0.689114480000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.306990130000000, 0.880889640000000, 0.942088940000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.807061320000000, 0.500337850000000, 0.845440410000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.456992320000000, 0.123940690000000, 0.792306470000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.692938680000000, 0.000337850000000, 0.345440410000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.492274190000000, 0.939432470000000, 0.494435970000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.007725810000000, 0.439432470000000, 0.994435970000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.052989310000000, 0.135380270000000, 0.820762030000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.543007680000000, 0.792306470000000, 0.123940690000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.305898790000000, 0.698514430000000, 0.633388630000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.043007680000000, 0.623940690000000, 0.292306470000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.293033180000000, 0.065831960000000, 0.917982280000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.500000000000000, 0.089768920000000, 0.089768920000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.314302370000000, 0.091254560000000, 0.451603040000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.693009870000000, 0.942088940000000, 0.880889640000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.507725810000000, 0.494435970000000, 0.939432470000000 ] mass: 15.999400 - symbol: O # 73 coordinates: [ 0.307061320000000, 0.345440410000000, 0.000337850000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.216788070000000, 0.074068440000000, 0.629470340000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.457985280000000, 0.689114480000000, 0.884596600000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.774182460000000, 0.162576100000000, 0.006407300000000 ] mass: 15.999400 - symbol: O # 77 coordinates: [ 0.225817540000000, 0.006407300000000, 0.162576100000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.956992320000000, 0.292306470000000, 0.623940690000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.268297490000000, 0.865255860000000, 0.308093780000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.231702510000000, 0.365255860000000, 0.808093780000000 ] mass: 15.999400 - symbol: O # 81 coordinates: [ 0.283211930000000, 0.574068440000000, 0.129470340000000 ] mass: 15.999400 - symbol: O # 82 coordinates: [ 0.768297490000000, 0.808093780000000, 0.365255860000000 ] mass: 15.999400 - symbol: O # 83 coordinates: [ 0.552989310000000, 0.320762030000000, 0.635380270000000 ] mass: 15.999400 - symbol: O # 84 coordinates: [ 0.806990130000000, 0.442088940000000, 0.380889640000000 ] mass: 15.999400 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.994078480000000, 0.994078480000000 ] mass: 15.999400 - symbol: O # 86 coordinates: [ 0.194101210000000, 0.198514430000000, 0.133388630000000 ] mass: 15.999400 - symbol: O # 87 coordinates: [ 0.957985280000000, 0.384596600000000, 0.189114480000000 ] mass: 15.999400 - symbol: O # 88 coordinates: [ 0.206966820000000, 0.565831960000000, 0.417982280000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.133935852695742, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.041950920229010, 0.073340210630679 ] # b* - [ 0.000000000000000, -0.041950920229010, 0.073340210630679 ] # c*unit_cell: lattice: - [ 7.466260750000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 23.837379360000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.635084920000001 ] # c points: - symbol: Hg # 1 coordinates: [ 0.521480050000000, 0.745351180000000, 0.980869670000000 ] mass: 200.590000 reduced_to: 1 - symbol: Hg # 2 coordinates: [ 0.953023740000000, 0.629419930000000, 0.123694440000000 ] mass: 200.590000 reduced_to: 2 - symbol: Hg # 3 coordinates: [ 0.046976260000000, 0.370580070000000, 0.123694440000000 ] mass: 200.590000 reduced_to: 3 - symbol: Hg # 4 coordinates: [ 0.478519950000000, 0.254648820000000, 0.980869670000000 ] mass: 200.590000 reduced_to: 4 - symbol: Hg # 5 coordinates: [ 0.951254010000000, 0.379631530000000, 0.631576090000000 ] mass: 200.590000 reduced_to: 5 - symbol: Hg # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.784392400000000 ] mass: 200.590000 reduced_to: 6 - symbol: Hg # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.791105570000000 ] mass: 200.590000 reduced_to: 7 - symbol: Hg # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.291105570000000 ] mass: 200.590000 reduced_to: 8 - symbol: Hg # 9 coordinates: [ 0.978519950000000, 0.245351180000000, 0.980869670000000 ] mass: 200.590000 reduced_to: 9 - symbol: Hg # 10 coordinates: [ 0.453023740000000, 0.870580070000000, 0.123694440000000 ] mass: 200.590000 reduced_to: 10 - symbol: Hg # 11 coordinates: [ 0.546976260000000, 0.129419930000000, 0.123694440000000 ] mass: 200.590000 reduced_to: 11 - symbol: Hg # 12 coordinates: [ 0.048745990000000, 0.620368470000000, 0.631576090000000 ] mass: 200.590000 reduced_to: 12 - symbol: Hg # 13 coordinates: [ 0.451254010000000, 0.620368470000000, 0.131576090000000 ] mass: 200.590000 reduced_to: 13 - symbol: Hg # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.284392400000000 ] mass: 200.590000 reduced_to: 14 - symbol: Hg # 15 coordinates: [ 0.548745990000000, 0.379631530000000, 0.131576090000000 ] mass: 200.590000 reduced_to: 15 - symbol: Hg # 16 coordinates: [ 0.021480050000000, 0.754648820000000, 0.980869670000000 ] mass: 200.590000 reduced_to: 16 - symbol: Hg # 17 coordinates: [ 0.521480050000000, 0.245351180000000, 0.480869670000000 ] mass: 200.590000 reduced_to: 1 - symbol: Hg # 18 coordinates: [ 0.953023740000000, 0.129419930000000, 0.623694440000000 ] mass: 200.590000 reduced_to: 2 - symbol: Hg # 19 coordinates: [ 0.046976260000000, 0.870580070000000, 0.623694440000000 ] mass: 200.590000 reduced_to: 3 - symbol: Hg # 20 coordinates: [ 0.478519950000000, 0.754648820000000, 0.480869670000000 ] mass: 200.590000 reduced_to: 4 - symbol: Hg # 21 coordinates: [ 0.951254010000000, 0.879631530000000, 0.131576090000000 ] mass: 200.590000 reduced_to: 5 - symbol: Hg # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.284392400000000 ] mass: 200.590000 reduced_to: 6 - symbol: Hg # 23 coordinates: [ 0.500000000000000, 0.000000000000000, 0.291105570000000 ] mass: 200.590000 reduced_to: 7 - symbol: Hg # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.791105570000000 ] mass: 200.590000 reduced_to: 8 - symbol: Hg # 25 coordinates: [ 0.978519950000000, 0.745351180000000, 0.480869670000000 ] mass: 200.590000 reduced_to: 9 - symbol: Hg # 26 coordinates: [ 0.453023740000000, 0.370580070000000, 0.623694440000000 ] mass: 200.590000 reduced_to: 10 - symbol: Hg # 27 coordinates: [ 0.546976260000000, 0.629419930000000, 0.623694440000000 ] mass: 200.590000 reduced_to: 11 - symbol: Hg # 28 coordinates: [ 0.048745990000000, 0.120368470000000, 0.131576090000000 ] mass: 200.590000 reduced_to: 12 - symbol: Hg # 29 coordinates: [ 0.451254010000000, 0.120368470000000, 0.631576090000000 ] mass: 200.590000 reduced_to: 13 - symbol: Hg # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.784392400000000 ] mass: 200.590000 reduced_to: 14 - symbol: Hg # 31 coordinates: [ 0.548745990000000, 0.879631530000000, 0.631576090000000 ] mass: 200.590000 reduced_to: 15 - symbol: Hg # 32 coordinates: [ 0.021480050000000, 0.254648820000000, 0.480869670000000 ] mass: 200.590000 reduced_to: 16 - symbol: Te # 33 coordinates: [ 0.739478170000000, 0.751308340000000, 0.215874630000000 ] mass: 127.600000 reduced_to: 33 - symbol: Te # 34 coordinates: [ 0.250315380000000, 0.499404000000000, 0.542249850000000 ] mass: 127.600000 reduced_to: 34 - symbol: Te # 35 coordinates: [ 0.260521830000000, 0.248691660000000, 0.215874630000000 ] mass: 127.600000 reduced_to: 35 - symbol: Te # 36 coordinates: [ 0.750315380000000, 0.500596000000000, 0.042249850000000 ] mass: 127.600000 reduced_to: 36 - symbol: Te # 37 coordinates: [ 0.249941250000000, 0.137264320000000, 0.890501160000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 38 coordinates: [ 0.760521830000000, 0.251308340000000, 0.215874630000000 ] mass: 127.600000 reduced_to: 38 - symbol: Te # 39 coordinates: [ 0.756758770000000, 0.615756330000000, 0.867286820000000 ] mass: 127.600000 reduced_to: 39 - symbol: Te # 40 coordinates: [ 0.750058750000000, 0.862735680000000, 0.890501160000000 ] mass: 127.600000 reduced_to: 40 - symbol: Te # 41 coordinates: [ 0.743241230000000, 0.615756330000000, 0.367286820000000 ] mass: 127.600000 reduced_to: 41 - symbol: Te # 42 coordinates: [ 0.256758770000000, 0.384243670000000, 0.367286820000000 ] mass: 127.600000 reduced_to: 42 - symbol: Te # 43 coordinates: [ 0.250058750000000, 0.637264320000000, 0.890501160000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 44 coordinates: [ 0.243241230000000, 0.384243670000000, 0.867286820000000 ] mass: 127.600000 reduced_to: 44 - symbol: Te # 45 coordinates: [ 0.749941250000000, 0.362735680000000, 0.890501160000000 ] mass: 127.600000 reduced_to: 45 - symbol: Te # 46 coordinates: [ 0.249684620000000, 0.499404000000000, 0.042249850000000 ] mass: 127.600000 reduced_to: 46 - symbol: Te # 47 coordinates: [ 0.749684620000000, 0.500596000000000, 0.542249850000000 ] mass: 127.600000 reduced_to: 47 - symbol: Te # 48 coordinates: [ 0.239478170000000, 0.748691660000000, 0.215874630000000 ] mass: 127.600000 reduced_to: 48 - symbol: Te # 49 coordinates: [ 0.739478170000000, 0.251308340000000, 0.715874630000000 ] mass: 127.600000 reduced_to: 33 - symbol: Te # 50 coordinates: [ 0.250315380000000, 0.999404000000000, 0.042249850000000 ] mass: 127.600000 reduced_to: 34 - symbol: Te # 51 coordinates: [ 0.260521830000000, 0.748691660000000, 0.715874630000000 ] mass: 127.600000 reduced_to: 35 - symbol: Te # 52 coordinates: [ 0.750315380000000, 0.000596000000000, 0.542249850000000 ] mass: 127.600000 reduced_to: 36 - symbol: Te # 53 coordinates: [ 0.249941250000000, 0.637264320000000, 0.390501160000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 54 coordinates: [ 0.760521830000000, 0.751308340000000, 0.715874630000000 ] mass: 127.600000 reduced_to: 38 - symbol: Te # 55 coordinates: [ 0.756758770000000, 0.115756330000000, 0.367286820000000 ] mass: 127.600000 reduced_to: 39 - symbol: Te # 56 coordinates: [ 0.750058750000000, 0.362735680000000, 0.390501160000000 ] mass: 127.600000 reduced_to: 40 - symbol: Te # 57 coordinates: [ 0.743241230000000, 0.115756330000000, 0.867286820000000 ] mass: 127.600000 reduced_to: 41 - symbol: Te # 58 coordinates: [ 0.256758770000000, 0.884243670000000, 0.867286820000000 ] mass: 127.600000 reduced_to: 42 - symbol: Te # 59 coordinates: [ 0.250058750000000, 0.137264320000000, 0.390501160000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 60 coordinates: [ 0.243241230000000, 0.884243670000000, 0.367286820000000 ] mass: 127.600000 reduced_to: 44 - symbol: Te # 61 coordinates: [ 0.749941250000000, 0.862735680000000, 0.390501160000000 ] mass: 127.600000 reduced_to: 45 - symbol: Te # 62 coordinates: [ 0.249684620000000, 0.999404000000000, 0.542249850000000 ] mass: 127.600000 reduced_to: 46 - symbol: Te # 63 coordinates: [ 0.749684620000000, 0.000596000000000, 0.042249850000000 ] mass: 127.600000 reduced_to: 47 - symbol: Te # 64 coordinates: [ 0.239478170000000, 0.248691660000000, 0.715874630000000 ] mass: 127.600000 reduced_to: 48 - symbol: O # 65 coordinates: [ 0.706966820000000, 0.926075160000000, 0.991907120000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.793033180000000, 0.426075160000000, 0.991907120000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.694101210000000, 0.467437100000000, 0.165951530000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.185697630000000, 0.319825760000000, 0.271428800000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.441910470000000, 0.416146140000000, 0.793258390000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.805898790000000, 0.467437100000000, 0.665951530000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.274182460000000, 0.421915600000000, 0.084491700000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.685697630000000, 0.680174240000000, 0.771428800000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.731702510000000, 0.221418960000000, 0.086674820000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.947010690000000, 0.842690880000000, 0.978071150000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.558089530000000, 0.583853860000000, 0.793258390000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.058089530000000, 0.416146140000000, 0.293258390000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.783211930000000, 0.777700950000000, 0.851769390000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.042014720000000, 0.402258940000000, 0.786855540000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.725817540000000, 0.578084400000000, 0.084491700000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.000000000000000, 0.500000000000000, 0.089768920000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.193009870000000, 0.469400350000000, 0.911489290000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.941910470000000, 0.583853860000000, 0.293258390000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.992274190000000, 0.777501750000000, 0.216934220000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.192938680000000, 0.672551280000000, 0.172889130000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.814302370000000, 0.680174240000000, 0.271428800000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.447010690000000, 0.657309120000000, 0.978071150000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.716788070000000, 0.277700950000000, 0.851769390000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.500000000000000, 0.500000000000000, 0.994078480000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.542014720000000, 0.597741060000000, 0.286855540000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.306990130000000, 0.469400350000000, 0.411489290000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.807061320000000, 0.327448720000000, 0.172889130000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.456992320000000, 0.165817110000000, 0.958123580000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.692938680000000, 0.327448720000000, 0.672889130000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.492274190000000, 0.722498250000000, 0.216934220000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.007725810000000, 0.222498250000000, 0.216934220000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.052989310000000, 0.157309120000000, 0.978071150000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.543007680000000, 0.834182890000000, 0.958123580000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.305898790000000, 0.532562900000000, 0.165951530000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.043007680000000, 0.665817110000000, 0.958123580000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.293033180000000, 0.073924840000000, 0.991907120000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.500000000000000, 0.500000000000000, 0.589768920000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.314302370000000, 0.319825760000000, 0.771428800000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.693009870000000, 0.530599650000000, 0.411489290000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.507725810000000, 0.277501750000000, 0.216934220000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.307061320000000, 0.672551280000000, 0.672889130000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.216788070000000, 0.222299050000000, 0.851769390000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.457985280000000, 0.402258940000000, 0.286855540000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.774182460000000, 0.578084400000000, 0.584491700000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.225817540000000, 0.421915600000000, 0.584491700000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.956992320000000, 0.334182890000000, 0.958123580000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.268297490000000, 0.778581040000000, 0.086674820000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.231702510000000, 0.278581040000000, 0.086674820000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.283211930000000, 0.722299050000000, 0.851769390000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.768297490000000, 0.721418960000000, 0.086674820000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.552989310000000, 0.342690880000000, 0.978071150000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.806990130000000, 0.530599650000000, 0.911489290000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.000000000000000, 0.500000000000000, 0.494078480000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.194101210000000, 0.532562900000000, 0.665951530000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.957985280000000, 0.597741060000000, 0.786855540000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.206966820000000, 0.573924840000000, 0.991907120000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.706966820000000, 0.426075160000000, 0.491907120000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 122 coordinates: [ 0.793033180000000, 0.926075160000000, 0.491907120000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 123 coordinates: [ 0.694101210000000, 0.967437100000000, 0.665951530000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 124 coordinates: [ 0.185697630000000, 0.819825760000000, 0.771428800000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 125 coordinates: [ 0.441910470000000, 0.916146140000000, 0.293258390000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 126 coordinates: [ 0.805898790000000, 0.967437100000000, 0.165951530000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 127 coordinates: [ 0.274182460000000, 0.921915600000000, 0.584491700000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 128 coordinates: [ 0.685697630000000, 0.180174240000000, 0.271428800000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 129 coordinates: [ 0.731702510000000, 0.721418960000000, 0.586674820000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 130 coordinates: [ 0.947010690000000, 0.342690880000000, 0.478071150000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 131 coordinates: [ 0.558089530000000, 0.083853860000000, 0.293258390000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 132 coordinates: [ 0.058089530000000, 0.916146140000000, 0.793258390000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 133 coordinates: [ 0.783211930000000, 0.277700950000000, 0.351769390000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 134 coordinates: [ 0.042014720000000, 0.902258940000000, 0.286855540000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 135 coordinates: [ 0.725817540000000, 0.078084400000000, 0.584491700000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 136 coordinates: [ 0.000000000000000, 0.000000000000000, 0.589768920000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 137 coordinates: [ 0.193009870000000, 0.969400350000000, 0.411489290000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 138 coordinates: [ 0.941910470000000, 0.083853860000000, 0.793258390000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 139 coordinates: [ 0.992274190000000, 0.277501750000000, 0.716934220000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 140 coordinates: [ 0.192938680000000, 0.172551280000000, 0.672889130000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 141 coordinates: [ 0.814302370000000, 0.180174240000000, 0.771428800000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 142 coordinates: [ 0.447010690000000, 0.157309120000000, 0.478071150000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 143 coordinates: [ 0.716788070000000, 0.777700950000000, 0.351769390000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 144 coordinates: [ 0.500000000000000, 0.000000000000000, 0.494078480000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 145 coordinates: [ 0.542014720000000, 0.097741060000000, 0.786855540000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 146 coordinates: [ 0.306990130000000, 0.969400350000000, 0.911489290000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 147 coordinates: [ 0.807061320000000, 0.827448720000000, 0.672889130000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 148 coordinates: [ 0.456992320000000, 0.665817110000000, 0.458123580000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 149 coordinates: [ 0.692938680000000, 0.827448720000000, 0.172889130000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 150 coordinates: [ 0.492274190000000, 0.222498250000000, 0.716934220000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 151 coordinates: [ 0.007725810000000, 0.722498250000000, 0.716934220000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 152 coordinates: [ 0.052989310000000, 0.657309120000000, 0.478071150000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 153 coordinates: [ 0.543007680000000, 0.334182890000000, 0.458123580000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 154 coordinates: [ 0.305898790000000, 0.032562900000000, 0.665951530000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 155 coordinates: [ 0.043007680000000, 0.165817110000000, 0.458123580000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 156 coordinates: [ 0.293033180000000, 0.573924840000000, 0.491907120000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 157 coordinates: [ 0.500000000000000, 0.000000000000000, 0.089768920000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 158 coordinates: [ 0.314302370000000, 0.819825760000000, 0.271428800000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 159 coordinates: [ 0.693009870000000, 0.030599650000000, 0.911489290000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 160 coordinates: [ 0.507725810000000, 0.777501750000000, 0.716934220000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 161 coordinates: [ 0.307061320000000, 0.172551280000000, 0.172889130000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 162 coordinates: [ 0.216788070000000, 0.722299050000000, 0.351769390000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 163 coordinates: [ 0.457985280000000, 0.902258940000000, 0.786855540000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 164 coordinates: [ 0.774182460000000, 0.078084400000000, 0.084491700000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 165 coordinates: [ 0.225817540000000, 0.921915600000000, 0.084491700000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 166 coordinates: [ 0.956992320000000, 0.834182890000000, 0.458123580000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 167 coordinates: [ 0.268297490000000, 0.278581040000000, 0.586674820000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 168 coordinates: [ 0.231702510000000, 0.778581040000000, 0.586674820000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 169 coordinates: [ 0.283211930000000, 0.222299050000000, 0.351769390000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 170 coordinates: [ 0.768297490000000, 0.221418960000000, 0.586674820000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 171 coordinates: [ 0.552989310000000, 0.842690880000000, 0.478071150000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 172 coordinates: [ 0.806990130000000, 0.030599650000000, 0.411489290000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 173 coordinates: [ 0.000000000000000, 0.000000000000000, 0.994078480000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 174 coordinates: [ 0.194101210000000, 0.032562900000000, 0.165951530000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 175 coordinates: [ 0.957985280000000, 0.097741060000000, 0.286855540000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 176 coordinates: [ 0.206966820000000, 0.073924840000000, 0.491907120000000 ] mass: 15.999400 reduced_to: 120supercell: lattice: - [ 7.466260750000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 23.837379360000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.635084920000001 ] # c points: - symbol: Hg # 1 coordinates: [ 0.521480050000000, 0.745351180000000, 0.980869670000000 ] mass: 200.590000 reduced_to: 1 - symbol: Hg # 2 coordinates: [ 0.953023740000000, 0.629419930000000, 0.123694440000000 ] mass: 200.590000 reduced_to: 2 - symbol: Hg # 3 coordinates: [ 0.046976260000000, 0.370580070000000, 0.123694440000000 ] mass: 200.590000 reduced_to: 3 - symbol: Hg # 4 coordinates: [ 0.478519950000000, 0.254648820000000, 0.980869670000000 ] mass: 200.590000 reduced_to: 4 - symbol: Hg # 5 coordinates: [ 0.951254010000000, 0.379631530000000, 0.631576090000000 ] mass: 200.590000 reduced_to: 5 - symbol: Hg # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.784392400000000 ] mass: 200.590000 reduced_to: 6 - symbol: Hg # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.791105570000000 ] mass: 200.590000 reduced_to: 7 - symbol: Hg # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.291105570000000 ] mass: 200.590000 reduced_to: 8 - symbol: Hg # 9 coordinates: [ 0.978519950000000, 0.245351180000000, 0.980869670000000 ] mass: 200.590000 reduced_to: 9 - symbol: Hg # 10 coordinates: [ 0.453023740000000, 0.870580070000000, 0.123694440000000 ] mass: 200.590000 reduced_to: 10 - symbol: Hg # 11 coordinates: [ 0.546976260000000, 0.129419930000000, 0.123694440000000 ] mass: 200.590000 reduced_to: 11 - symbol: Hg # 12 coordinates: [ 0.048745990000000, 0.620368470000000, 0.631576090000000 ] mass: 200.590000 reduced_to: 12 - symbol: Hg # 13 coordinates: [ 0.451254010000000, 0.620368470000000, 0.131576090000000 ] mass: 200.590000 reduced_to: 13 - symbol: Hg # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.284392400000000 ] mass: 200.590000 reduced_to: 14 - symbol: Hg # 15 coordinates: [ 0.548745990000000, 0.379631530000000, 0.131576090000000 ] mass: 200.590000 reduced_to: 15 - symbol: Hg # 16 coordinates: [ 0.021480050000000, 0.754648820000000, 0.980869670000000 ] mass: 200.590000 reduced_to: 16 - symbol: Hg # 17 coordinates: [ 0.521480050000000, 0.245351180000000, 0.480869670000000 ] mass: 200.590000 reduced_to: 1 - symbol: Hg # 18 coordinates: [ 0.953023740000000, 0.129419930000000, 0.623694440000000 ] mass: 200.590000 reduced_to: 2 - symbol: Hg # 19 coordinates: [ 0.046976260000000, 0.870580070000000, 0.623694440000000 ] mass: 200.590000 reduced_to: 3 - symbol: Hg # 20 coordinates: [ 0.478519950000000, 0.754648820000000, 0.480869670000000 ] mass: 200.590000 reduced_to: 4 - symbol: Hg # 21 coordinates: [ 0.951254010000000, 0.879631530000000, 0.131576090000000 ] mass: 200.590000 reduced_to: 5 - symbol: Hg # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.284392400000000 ] mass: 200.590000 reduced_to: 6 - symbol: Hg # 23 coordinates: [ 0.500000000000000, 0.000000000000000, 0.291105570000000 ] mass: 200.590000 reduced_to: 7 - symbol: Hg # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.791105570000000 ] mass: 200.590000 reduced_to: 8 - symbol: Hg # 25 coordinates: [ 0.978519950000000, 0.745351180000000, 0.480869670000000 ] mass: 200.590000 reduced_to: 9 - symbol: Hg # 26 coordinates: [ 0.453023740000000, 0.370580070000000, 0.623694440000000 ] mass: 200.590000 reduced_to: 10 - symbol: Hg # 27 coordinates: [ 0.546976260000000, 0.629419930000000, 0.623694440000000 ] mass: 200.590000 reduced_to: 11 - symbol: Hg # 28 coordinates: [ 0.048745990000000, 0.120368470000000, 0.131576090000000 ] mass: 200.590000 reduced_to: 12 - symbol: Hg # 29 coordinates: [ 0.451254010000000, 0.120368470000000, 0.631576090000000 ] mass: 200.590000 reduced_to: 13 - symbol: Hg # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.784392400000000 ] mass: 200.590000 reduced_to: 14 - symbol: Hg # 31 coordinates: [ 0.548745990000000, 0.879631530000000, 0.631576090000000 ] mass: 200.590000 reduced_to: 15 - symbol: Hg # 32 coordinates: [ 0.021480050000000, 0.254648820000000, 0.480869670000000 ] mass: 200.590000 reduced_to: 16 - symbol: Te # 33 coordinates: [ 0.739478170000000, 0.751308340000000, 0.215874630000000 ] mass: 127.600000 reduced_to: 33 - symbol: Te # 34 coordinates: [ 0.250315380000000, 0.499404000000000, 0.542249850000000 ] mass: 127.600000 reduced_to: 34 - symbol: Te # 35 coordinates: [ 0.260521830000000, 0.248691660000000, 0.215874630000000 ] mass: 127.600000 reduced_to: 35 - symbol: Te # 36 coordinates: [ 0.750315380000000, 0.500596000000000, 0.042249850000000 ] mass: 127.600000 reduced_to: 36 - symbol: Te # 37 coordinates: [ 0.249941250000000, 0.137264320000000, 0.890501160000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 38 coordinates: [ 0.760521830000000, 0.251308340000000, 0.215874630000000 ] mass: 127.600000 reduced_to: 38 - symbol: Te # 39 coordinates: [ 0.756758770000000, 0.615756330000000, 0.867286820000000 ] mass: 127.600000 reduced_to: 39 - symbol: Te # 40 coordinates: [ 0.750058750000000, 0.862735680000000, 0.890501160000000 ] mass: 127.600000 reduced_to: 40 - symbol: Te # 41 coordinates: [ 0.743241230000000, 0.615756330000000, 0.367286820000000 ] mass: 127.600000 reduced_to: 41 - symbol: Te # 42 coordinates: [ 0.256758770000000, 0.384243670000000, 0.367286820000000 ] mass: 127.600000 reduced_to: 42 - symbol: Te # 43 coordinates: [ 0.250058750000000, 0.637264320000000, 0.890501160000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 44 coordinates: [ 0.243241230000000, 0.384243670000000, 0.867286820000000 ] mass: 127.600000 reduced_to: 44 - symbol: Te # 45 coordinates: [ 0.749941250000000, 0.362735680000000, 0.890501160000000 ] mass: 127.600000 reduced_to: 45 - symbol: Te # 46 coordinates: [ 0.249684620000000, 0.499404000000000, 0.042249850000000 ] mass: 127.600000 reduced_to: 46 - symbol: Te # 47 coordinates: [ 0.749684620000000, 0.500596000000000, 0.542249850000000 ] mass: 127.600000 reduced_to: 47 - symbol: Te # 48 coordinates: [ 0.239478170000000, 0.748691660000000, 0.215874630000000 ] mass: 127.600000 reduced_to: 48 - symbol: Te # 49 coordinates: [ 0.739478170000000, 0.251308340000000, 0.715874630000000 ] mass: 127.600000 reduced_to: 33 - symbol: Te # 50 coordinates: [ 0.250315380000000, 0.999404000000000, 0.042249850000000 ] mass: 127.600000 reduced_to: 34 - symbol: Te # 51 coordinates: [ 0.260521830000000, 0.748691660000000, 0.715874630000000 ] mass: 127.600000 reduced_to: 35 - symbol: Te # 52 coordinates: [ 0.750315380000000, 0.000596000000000, 0.542249850000000 ] mass: 127.600000 reduced_to: 36 - symbol: Te # 53 coordinates: [ 0.249941250000000, 0.637264320000000, 0.390501160000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 54 coordinates: [ 0.760521830000000, 0.751308340000000, 0.715874630000000 ] mass: 127.600000 reduced_to: 38 - symbol: Te # 55 coordinates: [ 0.756758770000000, 0.115756330000000, 0.367286820000000 ] mass: 127.600000 reduced_to: 39 - symbol: Te # 56 coordinates: [ 0.750058750000000, 0.362735680000000, 0.390501160000000 ] mass: 127.600000 reduced_to: 40 - symbol: Te # 57 coordinates: [ 0.743241230000000, 0.115756330000000, 0.867286820000000 ] mass: 127.600000 reduced_to: 41 - symbol: Te # 58 coordinates: [ 0.256758770000000, 0.884243670000000, 0.867286820000000 ] mass: 127.600000 reduced_to: 42 - symbol: Te # 59 coordinates: [ 0.250058750000000, 0.137264320000000, 0.390501160000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 60 coordinates: [ 0.243241230000000, 0.884243670000000, 0.367286820000000 ] mass: 127.600000 reduced_to: 44 - symbol: Te # 61 coordinates: [ 0.749941250000000, 0.862735680000000, 0.390501160000000 ] mass: 127.600000 reduced_to: 45 - symbol: Te # 62 coordinates: [ 0.249684620000000, 0.999404000000000, 0.542249850000000 ] mass: 127.600000 reduced_to: 46 - symbol: Te # 63 coordinates: [ 0.749684620000000, 0.000596000000000, 0.042249850000000 ] mass: 127.600000 reduced_to: 47 - symbol: Te # 64 coordinates: [ 0.239478170000000, 0.248691660000000, 0.715874630000000 ] mass: 127.600000 reduced_to: 48 - symbol: O # 65 coordinates: [ 0.706966820000000, 0.926075160000000, 0.991907120000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.793033180000000, 0.426075160000000, 0.991907120000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.694101210000000, 0.467437100000000, 0.165951530000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.185697630000000, 0.319825760000000, 0.271428800000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.441910470000000, 0.416146140000000, 0.793258390000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.805898790000000, 0.467437100000000, 0.665951530000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.274182460000000, 0.421915600000000, 0.084491700000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.685697630000000, 0.680174240000000, 0.771428800000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.731702510000000, 0.221418960000000, 0.086674820000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.947010690000000, 0.842690880000000, 0.978071150000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.558089530000000, 0.583853860000000, 0.793258390000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.058089530000000, 0.416146140000000, 0.293258390000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.783211930000000, 0.777700950000000, 0.851769390000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.042014720000000, 0.402258940000000, 0.786855540000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.725817540000000, 0.578084400000000, 0.084491700000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.000000000000000, 0.500000000000000, 0.089768920000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.193009870000000, 0.469400350000000, 0.911489290000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.941910470000000, 0.583853860000000, 0.293258390000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.992274190000000, 0.777501750000000, 0.216934220000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.192938680000000, 0.672551280000000, 0.172889130000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.814302370000000, 0.680174240000000, 0.271428800000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.447010690000000, 0.657309120000000, 0.978071150000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.716788070000000, 0.277700950000000, 0.851769390000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.500000000000000, 0.500000000000000, 0.994078480000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.542014720000000, 0.597741060000000, 0.286855540000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.306990130000000, 0.469400350000000, 0.411489290000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.807061320000000, 0.327448720000000, 0.172889130000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.456992320000000, 0.165817110000000, 0.958123580000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.692938680000000, 0.327448720000000, 0.672889130000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.492274190000000, 0.722498250000000, 0.216934220000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.007725810000000, 0.222498250000000, 0.216934220000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.052989310000000, 0.157309120000000, 0.978071150000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.543007680000000, 0.834182890000000, 0.958123580000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.305898790000000, 0.532562900000000, 0.165951530000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.043007680000000, 0.665817110000000, 0.958123580000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.293033180000000, 0.073924840000000, 0.991907120000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.500000000000000, 0.500000000000000, 0.589768920000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.314302370000000, 0.319825760000000, 0.771428800000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.693009870000000, 0.530599650000000, 0.411489290000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.507725810000000, 0.277501750000000, 0.216934220000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.307061320000000, 0.672551280000000, 0.672889130000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.216788070000000, 0.222299050000000, 0.851769390000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.457985280000000, 0.402258940000000, 0.286855540000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.774182460000000, 0.578084400000000, 0.584491700000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.225817540000000, 0.421915600000000, 0.584491700000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.956992320000000, 0.334182890000000, 0.958123580000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.268297490000000, 0.778581040000000, 0.086674820000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.231702510000000, 0.278581040000000, 0.086674820000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.283211930000000, 0.722299050000000, 0.851769390000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.768297490000000, 0.721418960000000, 0.086674820000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.552989310000000, 0.342690880000000, 0.978071150000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.806990130000000, 0.530599650000000, 0.911489290000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.000000000000000, 0.500000000000000, 0.494078480000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.194101210000000, 0.532562900000000, 0.665951530000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.957985280000000, 0.597741060000000, 0.786855540000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.206966820000000, 0.573924840000000, 0.991907120000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.706966820000000, 0.426075160000000, 0.491907120000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 122 coordinates: [ 0.793033180000000, 0.926075160000000, 0.491907120000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 123 coordinates: [ 0.694101210000000, 0.967437100000000, 0.665951530000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 124 coordinates: [ 0.185697630000000, 0.819825760000000, 0.771428800000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 125 coordinates: [ 0.441910470000000, 0.916146140000000, 0.293258390000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 126 coordinates: [ 0.805898790000000, 0.967437100000000, 0.165951530000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 127 coordinates: [ 0.274182460000000, 0.921915600000000, 0.584491700000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 128 coordinates: [ 0.685697630000000, 0.180174240000000, 0.271428800000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 129 coordinates: [ 0.731702510000000, 0.721418960000000, 0.586674820000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 130 coordinates: [ 0.947010690000000, 0.342690880000000, 0.478071150000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 131 coordinates: [ 0.558089530000000, 0.083853860000000, 0.293258390000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 132 coordinates: [ 0.058089530000000, 0.916146140000000, 0.793258390000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 133 coordinates: [ 0.783211930000000, 0.277700950000000, 0.351769390000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 134 coordinates: [ 0.042014720000000, 0.902258940000000, 0.286855540000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 135 coordinates: [ 0.725817540000000, 0.078084400000000, 0.584491700000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 136 coordinates: [ 0.000000000000000, 0.000000000000000, 0.589768920000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 137 coordinates: [ 0.193009870000000, 0.969400350000000, 0.411489290000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 138 coordinates: [ 0.941910470000000, 0.083853860000000, 0.793258390000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 139 coordinates: [ 0.992274190000000, 0.277501750000000, 0.716934220000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 140 coordinates: [ 0.192938680000000, 0.172551280000000, 0.672889130000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 141 coordinates: [ 0.814302370000000, 0.180174240000000, 0.771428800000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 142 coordinates: [ 0.447010690000000, 0.157309120000000, 0.478071150000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 143 coordinates: [ 0.716788070000000, 0.777700950000000, 0.351769390000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 144 coordinates: [ 0.500000000000000, 0.000000000000000, 0.494078480000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 145 coordinates: [ 0.542014720000000, 0.097741060000000, 0.786855540000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 146 coordinates: [ 0.306990130000000, 0.969400350000000, 0.911489290000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 147 coordinates: [ 0.807061320000000, 0.827448720000000, 0.672889130000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 148 coordinates: [ 0.456992320000000, 0.665817110000000, 0.458123580000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 149 coordinates: [ 0.692938680000000, 0.827448720000000, 0.172889130000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 150 coordinates: [ 0.492274190000000, 0.222498250000000, 0.716934220000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 151 coordinates: [ 0.007725810000000, 0.722498250000000, 0.716934220000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 152 coordinates: [ 0.052989310000000, 0.657309120000000, 0.478071150000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 153 coordinates: [ 0.543007680000000, 0.334182890000000, 0.458123580000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 154 coordinates: [ 0.305898790000000, 0.032562900000000, 0.665951530000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 155 coordinates: [ 0.043007680000000, 0.165817110000000, 0.458123580000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 156 coordinates: [ 0.293033180000000, 0.573924840000000, 0.491907120000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 157 coordinates: [ 0.500000000000000, 0.000000000000000, 0.089768920000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 158 coordinates: [ 0.314302370000000, 0.819825760000000, 0.271428800000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 159 coordinates: [ 0.693009870000000, 0.030599650000000, 0.911489290000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 160 coordinates: [ 0.507725810000000, 0.777501750000000, 0.716934220000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 161 coordinates: [ 0.307061320000000, 0.172551280000000, 0.172889130000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 162 coordinates: [ 0.216788070000000, 0.722299050000000, 0.351769390000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 163 coordinates: [ 0.457985280000000, 0.902258940000000, 0.786855540000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 164 coordinates: [ 0.774182460000000, 0.078084400000000, 0.084491700000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 165 coordinates: [ 0.225817540000000, 0.921915600000000, 0.084491700000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 166 coordinates: [ 0.956992320000000, 0.834182890000000, 0.458123580000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 167 coordinates: [ 0.268297490000000, 0.278581040000000, 0.586674820000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 168 coordinates: [ 0.231702510000000, 0.778581040000000, 0.586674820000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 169 coordinates: [ 0.283211930000000, 0.222299050000000, 0.351769390000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 170 coordinates: [ 0.768297490000000, 0.221418960000000, 0.586674820000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 171 coordinates: [ 0.552989310000000, 0.842690880000000, 0.478071150000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 172 coordinates: [ 0.806990130000000, 0.030599650000000, 0.411489290000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 173 coordinates: [ 0.000000000000000, 0.000000000000000, 0.994078480000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 174 coordinates: [ 0.194101210000000, 0.032562900000000, 0.165951530000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 175 coordinates: [ 0.957985280000000, 0.097741060000000, 0.286855540000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 176 coordinates: [ 0.206966820000000, 0.073924840000000, 0.491907120000000 ] mass: 15.999400 reduced_to: 120displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0468304900000000, -0.0282881700000000, -0.0054062500000000 ] - [ 0.0040171700000000, -0.0038067100000000, -0.0000617000000000 ] - [ -0.0006076100000000, 0.0007573000000000, -0.0000427500000000 ] - [ -0.0003624800000000, 0.0001370400000000, -0.0004965500000000 ] - [ 0.0000720900000000, 0.0000252600000000, 0.0000498100000000 ] - [ 0.0001045200000000, 0.0001628000000000, 0.0004157300000000 ] - [ -0.0000015600000000, 0.0001934900000000, 0.0006896500000000 ] - [ 0.0001174600000000, -0.0001467700000000, 0.0003836900000000 ] - [ -0.0003730700000000, 0.0000372700000000, -0.0004995500000000 ] - [ -0.0026224600000000, -0.0017525200000000, -0.0005705800000000 ] - [ -0.0006726000000000, -0.0005627100000000, 0.0000228800000000 ] - [ 0.0003532400000000, 0.0001172600000000, 0.0003971300000000 ] - [ -0.0015309500000000, 0.0015897700000000, -0.0035413700000000 ] - [ -0.0002314400000000, -0.0000401900000000, 0.0000180600000000 ] - [ -0.0000786800000000, 0.0000780300000000, -0.0000507900000000 ] - [ 0.0174989300000000, 0.0000469400000000, -0.0006855700000000 ] - [ 0.0003684600000000, -0.0000030800000000, -0.0004854000000000 ] - [ 0.0006633600000000, -0.0005900000000000, 0.0000109800000000 ] - [ -0.0000645900000000, 0.0006577900000000, 0.0001218200000000 ] - [ -0.0005164100000000, -0.0000656900000000, -0.0003927900000000 ] - [ 0.0014747700000000, 0.0005355700000000, 0.0003316000000000 ] - [ 0.0001259000000000, 0.0000617600000000, 0.0004139500000000 ] - [ -0.0000511800000000, 0.0000153200000000, 0.0006080100000000 ] - [ 0.0000189600000000, 0.0000528800000000, 0.0005457400000000 ] - [ -0.0002209200000000, -0.0001660000000000, -0.0003286600000000 ] - [ 0.0006231900000000, 0.0006826100000000, 0.0000597200000000 ] - [ -0.0013454600000000, -0.0007199300000000, 0.0000743800000000 ] - [ -0.0000083500000000, 0.0000830700000000, -0.0000064200000000 ] - [ 0.0000202200000000, 0.0000743200000000, -0.0000185900000000 ] - [ -0.0000686700000000, 0.0001205800000000, 0.0002937300000000 ] - [ -0.0003612800000000, 0.0000872700000000, -0.0001010300000000 ] - [ 0.0003734200000000, 0.0000970900000000, -0.0004836400000000 ] - [ -0.0027271900000000, 0.0056689100000000, 0.0185179100000000 ] - [ 0.0007536000000000, -0.0008334800000000, 0.0002454500000000 ] - [ 0.0003017000000000, 0.0001996000000000, -0.0004626400000000 ] - [ 0.0008069200000000, 0.0008184100000000, 0.0000019600000000 ] - [ 0.0001665000000000, -0.0004742300000000, -0.0008925900000000 ] - [ 0.0003245200000000, 0.0000826600000000, -0.0004529600000000 ] - [ -0.0006009000000000, -0.0029563200000000, -0.0002524900000000 ] - [ 0.0001038800000000, 0.0136335600000000, -0.0011503400000000 ] - [ -0.0003740300000000, -0.0024643100000000, 0.0001296400000000 ] - [ -0.0004426000000000, 0.0000366400000000, -0.0005658800000000 ] - [ 0.0088689200000000, 0.0128919600000000, 0.0023192900000000 ] - [ 0.0004418900000000, 0.0003427500000000, -0.0004072700000000 ] - [ 0.0001868000000000, 0.0007773300000000, -0.0008133400000000 ] - [ -0.0008659300000000, 0.0007541700000000, -0.0002187400000000 ] - [ -0.0006715300000000, 0.0007592200000000, 0.0005882500000000 ] - [ 0.0022206600000000, 0.0037959400000000, -0.0145893900000000 ] - [ -0.0003334700000000, 0.0000930200000000, -0.0003946900000000 ] - [ 0.0006588200000000, -0.0010291000000000, 0.0000156900000000 ] - [ 0.0015641300000000, -0.0040269200000000, 0.0095163900000000 ] - [ 0.0007193200000000, 0.0012195500000000, -0.0000001700000000 ] - [ 0.0002335400000000, -0.0008248800000000, -0.0010412300000000 ] - [ -0.0005059000000000, -0.0033280400000000, -0.0097873900000000 ] - [ -0.0004943000000000, 0.0001211200000000, -0.0005786900000000 ] - [ -0.0001768800000000, 0.0006067400000000, -0.0009120000000000 ] - [ 0.0005063700000000, 0.0001919300000000, -0.0006344800000000 ] - [ -0.0008423000000000, -0.0021313300000000, -0.0009693800000000 ] - [ -0.0001696700000000, -0.0005282900000000, -0.0008641900000000 ] - [ 0.0010250700000000, -0.0012602400000000, -0.0009323900000000 ] - [ 0.0001958000000000, 0.0007929300000000, -0.0003250400000000 ] - [ -0.0007749900000000, -0.0009082500000000, -0.0001602100000000 ] - [ -0.0005866600000000, 0.0017992300000000, -0.0000292400000000 ] - [ -0.0002788500000000, 0.0002428900000000, -0.0004123500000000 ] - [ 0.0002909800000000, -0.0013396400000000, -0.0004382200000000 ] - [ -0.0002664300000000, -0.0006815900000000, 0.0001800100000000 ] - [ -0.0001109800000000, -0.0003180000000000, 0.0009631100000000 ] - [ -0.0004546200000000, -0.0009598800000000, 0.0004299300000000 ] - [ -0.0001423700000000, -0.0000287000000000, 0.0001050700000000 ] - [ 0.0000783500000000, -0.0003415000000000, 0.0007672600000000 ] - [ 0.0003165800000000, 0.0002219100000000, -0.0001624300000000 ] - [ -0.0002266600000000, 0.0028802400000000, 0.0012034700000000 ] - [ -0.0003295500000000, -0.0003294500000000, -0.0006360700000000 ] - [ -0.0015159800000000, -0.0015474900000000, -0.0002954500000000 ] - [ 0.0006777700000000, 0.0001104300000000, -0.0001799900000000 ] - [ 0.0001316500000000, 0.0000180000000000, 0.0001742800000000 ] - [ -0.0002321300000000, -0.0009905000000000, 0.0039991600000000 ] - [ -0.0001832300000000, -0.0002617000000000, -0.0002099900000000 ] - [ 0.0005470900000000, 0.0002193400000000, 0.0000697700000000 ] - [ -0.0003468400000000, -0.0001798300000000, 0.0011407900000000 ] - [ 0.0001031100000000, -0.0007527900000000, -0.0003622500000000 ] - [ -0.0005139900000000, 0.0003624600000000, 0.0004174900000000 ] - [ -0.0062130100000000, -0.0010831800000000, -0.0007350900000000 ] - [ -0.0014850900000000, -0.0008913800000000, 0.0018044100000000 ] - [ 0.0006512400000000, 0.0038421500000000, -0.0037883600000000 ] - [ 0.0061305900000000, 0.0103996600000000, 0.0009307000000000 ] - [ 0.0002940300000000, 0.0001070400000000, 0.0006022000000000 ] - [ 0.0004585500000000, -0.0001997400000000, -0.0001080300000000 ] - [ 0.0002347700000000, 0.0005079800000000, -0.0000531600000000 ] - [ -0.0000971400000000, -0.0003403000000000, -0.0001170200000000 ] - [ -0.0005705600000000, -0.0007251400000000, 0.0002791200000000 ] - [ 0.0001258700000000, 0.0004624100000000, 0.0002872900000000 ] - [ 0.0005689600000000, -0.0007096600000000, 0.0002481000000000 ] - [ 0.0067171900000000, -0.0009581100000000, -0.0001167500000000 ] - [ -0.0008726300000000, -0.0006223400000000, -0.0002520200000000 ] - [ -0.0003610900000000, 0.0002369300000000, -0.0000671600000000 ] - [ 0.0050312600000000, 0.0082822300000000, -0.0047347500000000 ] - [ 0.0001313800000000, -0.0000155600000000, 0.0014315900000000 ] - [ -0.0041020200000000, 0.0006294000000000, 0.0016090000000000 ] - [ -0.0002746000000000, 0.0004833400000000, 0.0003353200000000 ] - [ 0.0000949500000000, -0.0000016000000000, 0.0008778000000000 ] - [ 0.0004600100000000, -0.0010594400000000, 0.0003273500000000 ] - [ 0.0002039500000000, 0.0011850800000000, -0.0004078600000000 ] - [ -0.0008704100000000, 0.0005359500000000, -0.0002452700000000 ] - [ -0.0002468100000000, -0.0003292500000000, -0.0015673100000000 ] - [ 0.0003033300000000, -0.0002913400000000, 0.0006686800000000 ] - [ 0.0001212300000000, -0.0002552000000000, -0.0000819800000000 ] - [ 0.0002651800000000, -0.0002894900000000, -0.0003439600000000 ] - [ -0.0003110700000000, 0.0003915000000000, -0.0002136200000000 ] - [ 0.0001178300000000, -0.0005890300000000, 0.0003056400000000 ] - [ 0.0055903000000000, -0.0044143900000000, -0.0003082200000000 ] - [ -0.0003126100000000, 0.0002219600000000, -0.0006268200000000 ] - [ 0.0037951300000000, 0.0019405100000000, 0.0014996900000000 ] - [ 0.0092023500000000, -0.0064191000000000, 0.0000705700000000 ] - [ -0.0003569500000000, -0.0003505600000000, -0.0000748300000000 ] - [ -0.0002323900000000, 0.0007688400000000, -0.0001327900000000 ] - [ -0.0001389200000000, 0.0000172000000000, -0.0002778600000000 ] - [ -0.0000677200000000, 0.0002258800000000, 0.0007147100000000 ] - [ -0.0005347000000000, 0.0001372300000000, -0.0005055000000000 ] - [ -0.0003927000000000, -0.0014731800000000, 0.0015056700000000 ] - [ 0.0002652300000000, -0.0004725500000000, 0.0001901900000000 ] - [ -0.0002655900000000, -0.0008301200000000, 0.0001722000000000 ] - [ -0.0000916700000000, -0.0004750000000000, 0.0008820000000000 ] - [ -0.0011455000000000, 0.0011005700000000, 0.0001731000000000 ] - [ 0.0000823000000000, 0.0001440000000000, -0.0000191800000000 ] - [ 0.0000116300000000, -0.0006257100000000, 0.0006563500000000 ] - [ 0.0003457600000000, 0.0004964700000000, -0.0001472600000000 ] - [ -0.0004582700000000, 0.0008136000000000, 0.0004733800000000 ] - [ -0.0003789700000000, -0.0002034100000000, -0.0006657400000000 ] - [ 0.0003441500000000, -0.0002948400000000, -0.0000712900000000 ] - [ 0.0001528400000000, -0.0000780400000000, 0.0001210700000000 ] - [ 0.0001032200000000, 0.0002146000000000, 0.0002451300000000 ] - [ -0.0002974400000000, 0.0001638400000000, 0.0006437300000000 ] - [ -0.0004688100000000, -0.0001628600000000, -0.0002902900000000 ] - [ -0.0003133800000000, -0.0004972100000000, -0.0001876900000000 ] - [ -0.0000769500000000, -0.0000439400000000, 0.0009893200000000 ] - [ 0.0000407500000000, 0.0000003200000000, -0.0000487000000000 ] - [ -0.0001596800000000, -0.0000661000000000, 0.0001409500000000 ] - [ 0.0008646300000000, 0.0005295600000000, -0.0002598100000000 ] - [ 0.0005632600000000, 0.0006039300000000, 0.0002488500000000 ] - [ 0.0004580500000000, 0.0007863800000000, 0.0004877100000000 ] - [ 0.0003622800000000, 0.0002537200000000, -0.0000759200000000 ] - [ 0.0002155200000000, 0.0002266000000000, 0.0004440300000000 ] - [ 0.0000944600000000, -0.0000244100000000, -0.0001704700000000 ] - [ -0.0001069800000000, 0.0001599900000000, -0.0001267700000000 ] - [ -0.0000202400000000, -0.0001221000000000, -0.0001537800000000 ] - [ -0.0005940700000000, -0.0017922400000000, 0.0019612300000000 ] - [ 0.0002805600000000, 0.0005560300000000, 0.0000794400000000 ] - [ 0.0013598300000000, -0.0036923900000000, -0.0014567600000000 ] - [ 0.0008786400000000, -0.0006320500000000, -0.0002638300000000 ] - [ -0.0040951300000000, 0.0003305800000000, -0.0003968700000000 ] - [ -0.0005256000000000, 0.0004014500000000, -0.0002755000000000 ] - [ -0.0001118200000000, -0.0005333400000000, 0.0003033400000000 ] - [ 0.0000912800000000, 0.0003191200000000, 0.0008962700000000 ] - [ -0.0001279700000000, 0.0004785500000000, 0.0002817000000000 ] - [ -0.0002931100000000, 0.0005594400000000, 0.0001521600000000 ] - [ 0.0002974100000000, -0.0000930900000000, 0.0009161600000000 ] - [ 0.0004444200000000, 0.0006607300000000, 0.0030436200000000 ] - [ 0.0000854500000000, 0.0001762700000000, -0.0000208800000000 ] - [ 0.0019870300000000, 0.0012628700000000, -0.0005475700000000 ] - [ -0.0005625000000000, 0.0006018100000000, 0.0002504200000000 ] - [ 0.0003817100000000, 0.0000550200000000, 0.0005967800000000 ] - [ 0.0006850000000000, -0.0002724300000000, 0.0001040400000000 ] - [ 0.0003123400000000, -0.0005531400000000, -0.0001794100000000 ] - [ -0.0004008300000000, 0.0008907300000000, -0.0003303100000000 ] - [ -0.0000565500000000, -0.0004914500000000, 0.0003677200000000 ] - [ 0.0003127300000000, 0.0002386800000000, -0.0006751500000000 ] - [ -0.0003107000000000, 0.0004524600000000, -0.0008279800000000 ] - [ -0.0003011900000000, -0.0002585000000000, 0.0006606400000000 ] - [ 0.0003287200000000, -0.0003200000000000, -0.0006485800000000 ] - [ -0.0001712300000000, -0.0002041300000000, -0.0000438200000000 ] - [ -0.0000869000000000, 0.0002742100000000, -0.0001193600000000 ] - [ -0.0002359700000000, -0.0000570400000000, -0.0001928300000000 ] - [ -0.0000877200000000, 0.0003725500000000, 0.0008932600000000 ] - [ 0.0001163300000000, 0.0001540300000000, -0.0001537800000000 ] - [ 0.0002820900000000, 0.0005445400000000, 0.0003165500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0477925900000000, 0.0286587600000000, 0.0041847400000000 ] - [ -0.0027216900000000, 0.0024820700000000, 0.0000878300000000 ] - [ -0.0006830100000000, 0.0005353600000000, 0.0000671100000000 ] - [ -0.0003756400000000, -0.0000382600000000, -0.0004880300000000 ] - [ 0.0000071500000000, -0.0000524600000000, -0.0000635300000000 ] - [ -0.0001034600000000, -0.0001613100000000, 0.0001979100000000 ] - [ 0.0000013500000000, -0.0001923600000000, 0.0004200800000000 ] - [ -0.0001153800000000, 0.0001425100000000, 0.0007206100000000 ] - [ -0.0003648800000000, -0.0001367600000000, -0.0004848700000000 ] - [ 0.0039469500000000, 0.0030420200000000, 0.0005336400000000 ] - [ -0.0006188100000000, -0.0007296700000000, 0.0000009400000000 ] - [ -0.0004342900000000, -0.0000973900000000, -0.0004052500000000 ] - [ 0.0016187000000000, -0.0015414600000000, 0.0034477200000000 ] - [ 0.0002295400000000, 0.0000374200000000, 0.0005882700000000 ] - [ -0.0000008300000000, -0.0001040500000000, 0.0000350800000000 ] - [ -0.0167718300000000, 0.0000639100000000, -0.0003287200000000 ] - [ 0.0003694600000000, -0.0000961600000000, -0.0004986200000000 ] - [ 0.0006277800000000, -0.0007020400000000, 0.0000151400000000 ] - [ -0.0012235800000000, 0.0006415000000000, -0.0000936000000000 ] - [ -0.0002236300000000, 0.0001651800000000, -0.0005893200000000 ] - [ -0.0013983600000000, -0.0005424200000000, -0.0003462000000000 ] - [ -0.0001270200000000, -0.0000585300000000, 0.0001934200000000 ] - [ 0.0000518300000000, -0.0000117200000000, 0.0004962500000000 ] - [ -0.0000189900000000, -0.0000566600000000, 0.0005626600000000 ] - [ -0.0005171000000000, 0.0000666800000000, -0.0006534300000000 ] - [ 0.0006681100000000, 0.0006089600000000, -0.0000339900000000 ] - [ 0.0000561900000000, -0.0005774200000000, -0.0000465200000000 ] - [ -0.0000692300000000, -0.0000576500000000, -0.0000092900000000 ] - [ 0.0000591100000000, -0.0000479500000000, 0.0000051800000000 ] - [ 0.0000683200000000, -0.0001242700000000, 0.0003207300000000 ] - [ 0.0002773300000000, -0.0001070200000000, 0.0000940700000000 ] - [ 0.0003650500000000, 0.0000018900000000, -0.0005002000000000 ] - [ 0.0020593000000000, -0.0057414000000000, -0.0192461100000000 ] - [ 0.0007407200000000, -0.0010326600000000, -0.0001540100000000 ] - [ 0.0003202600000000, -0.0000732100000000, -0.0003985400000000 ] - [ 0.0006880500000000, 0.0010428700000000, 0.0000864500000000 ] - [ 0.0001882600000000, -0.0007447300000000, -0.0008330800000000 ] - [ 0.0002973100000000, -0.0002094900000000, -0.0004083700000000 ] - [ -0.0003996400000000, 0.0029429800000000, -0.0008468300000000 ] - [ -0.0006795100000000, -0.0123370100000000, -0.0005083400000000 ] - [ 0.0013206000000000, 0.0024359300000000, -0.0012356700000000 ] - [ -0.0005132600000000, -0.0000368000000000, -0.0005486000000000 ] - [ -0.0090490000000000, -0.0142962600000000, -0.0039612000000000 ] - [ 0.0005137000000000, -0.0003371700000000, -0.0007035200000000 ] - [ 0.0001676100000000, 0.0004403300000000, -0.0009123000000000 ] - [ -0.0006325700000000, -0.0025912200000000, 0.0002958200000000 ] - [ -0.0008224000000000, 0.0010936800000000, -0.0004936200000000 ] - [ -0.0028363500000000, -0.0037107500000000, 0.0138437600000000 ] - [ -0.0002879700000000, -0.0002212000000000, -0.0004638200000000 ] - [ 0.0008337900000000, -0.0008340300000000, 0.0000667200000000 ] - [ -0.0009350200000000, 0.0041835500000000, -0.0104327200000000 ] - [ 0.0007745800000000, 0.0006459700000000, 0.0000936400000000 ] - [ 0.0001232500000000, -0.0004022000000000, -0.0006804200000000 ] - [ 0.0011065900000000, 0.0031750300000000, 0.0088719700000000 ] - [ -0.0004610000000000, -0.0001215000000000, -0.0005351300000000 ] - [ -0.0001774000000000, 0.0006084900000000, -0.0008158900000000 ] - [ 0.0004489500000000, -0.0001994700000000, -0.0004766800000000 ] - [ -0.0000472200000000, 0.0021361900000000, -0.0001102500000000 ] - [ -0.0001846600000000, -0.0006875700000000, -0.0008632500000000 ] - [ -0.0000728800000000, 0.0012844900000000, -0.0001733700000000 ] - [ 0.0001587400000000, 0.0004335900000000, -0.0013969900000000 ] - [ -0.0007189300000000, -0.0009461800000000, 0.0002555800000000 ] - [ -0.0009056500000000, 0.0000501900000000, 0.0001049100000000 ] - [ -0.0003427400000000, -0.0001160300000000, -0.0004461100000000 ] - [ 0.0002830600000000, 0.0002208200000000, 0.0009707500000000 ] - [ -0.0002882600000000, -0.0004612300000000, 0.0003437600000000 ] - [ -0.0000673300000000, -0.0003781100000000, 0.0007928300000000 ] - [ -0.0004610500000000, -0.0008416700000000, 0.0004356500000000 ] - [ -0.0001619800000000, 0.0000885100000000, 0.0001693600000000 ] - [ 0.0000982400000000, -0.0003523400000000, 0.0009823400000000 ] - [ 0.0003074100000000, 0.0006267000000000, -0.0002100500000000 ] - [ -0.0006825300000000, -0.0010645400000000, -0.0003405500000000 ] - [ -0.0003129200000000, -0.0002272200000000, -0.0006540900000000 ] - [ 0.0022782200000000, 0.0009217500000000, 0.0001813600000000 ] - [ -0.0003691100000000, -0.0001675800000000, 0.0004491100000000 ] - [ 0.0001725600000000, 0.0000420000000000, 0.0001013900000000 ] - [ -0.0002824600000000, 0.0013880400000000, -0.0027991800000000 ] - [ -0.0000701600000000, -0.0001511600000000, -0.0000713300000000 ] - [ -0.0011554600000000, -0.0010696200000000, -0.0004405900000000 ] - [ 0.0003459700000000, 0.0001770400000000, 0.0008147800000000 ] - [ 0.0000883300000000, 0.0000420100000000, 0.0000951200000000 ] - [ 0.0002073200000000, -0.0004154300000000, -0.0001398200000000 ] - [ 0.0079598600000000, 0.0022403400000000, 0.0002056100000000 ] - [ 0.0026114700000000, 0.0022469700000000, -0.0012994200000000 ] - [ 0.0002637500000000, -0.0020149200000000, 0.0046224400000000 ] - [ -0.0055155200000000, -0.0102025300000000, -0.0012119400000000 ] - [ 0.0003034300000000, 0.0002981900000000, 0.0006837200000000 ] - [ -0.0004565100000000, 0.0001965000000000, -0.0002770400000000 ] - [ -0.0004864200000000, -0.0000895900000000, -0.0002264600000000 ] - [ -0.0000932500000000, -0.0003618900000000, -0.0001457400000000 ] - [ -0.0005615900000000, -0.0005979400000000, 0.0002346900000000 ] - [ 0.0001218800000000, 0.0005741600000000, 0.0003021900000000 ] - [ 0.0005633000000000, -0.0006127700000000, 0.0002649300000000 ] - [ -0.0049690800000000, -0.0001973600000000, -0.0004004500000000 ] - [ -0.0008701100000000, -0.0005377200000000, -0.0002582300000000 ] - [ -0.0003579600000000, 0.0003346500000000, -0.0000764000000000 ] - [ -0.0054147300000000, -0.0092650300000000, 0.0052155900000000 ] - [ 0.0000428500000000, 0.0007063000000000, 0.0003258500000000 ] - [ 0.0038165500000000, 0.0004761500000000, -0.0009888200000000 ] - [ -0.0002800500000000, 0.0006603500000000, 0.0001888700000000 ] - [ -0.0000946000000000, 0.0000031600000000, 0.0010718700000000 ] - [ 0.0004553500000000, -0.0007439200000000, 0.0005363700000000 ] - [ -0.0000119800000000, -0.0004709300000000, 0.0001408700000000 ] - [ -0.0008724700000000, 0.0006246800000000, -0.0002650600000000 ] - [ -0.0008872000000000, 0.0016614700000000, 0.0020883100000000 ] - [ 0.0002946200000000, -0.0001137000000000, 0.0006170500000000 ] - [ 0.0001310700000000, -0.0001574200000000, -0.0001964400000000 ] - [ 0.0003577300000000, -0.0005595900000000, -0.0000305600000000 ] - [ -0.0003124100000000, 0.0004613100000000, -0.0001601600000000 ] - [ 0.0001300400000000, -0.0004470600000000, 0.0002837200000000 ] - [ -0.0052496900000000, 0.0051838300000000, -0.0007112100000000 ] - [ -0.0003299700000000, 0.0003346100000000, -0.0006626300000000 ] - [ -0.0045555400000000, -0.0023925700000000, -0.0004419900000000 ] - [ -0.0081145800000000, 0.0056110700000000, -0.0009747800000000 ] - [ -0.0003620800000000, -0.0002207800000000, -0.0000691200000000 ] - [ 0.0000398800000000, -0.0000598400000000, -0.0001333700000000 ] - [ 0.0001382500000000, -0.0000159400000000, -0.0001091100000000 ] - [ -0.0001086800000000, 0.0004706000000000, 0.0010335300000000 ] - [ 0.0007748300000000, 0.0002751000000000, 0.0002172500000000 ] - [ 0.0009158800000000, 0.0025906100000000, -0.0009832700000000 ] - [ 0.0002891900000000, -0.0006664200000000, 0.0003339700000000 ] - [ -0.0002888300000000, -0.0003198900000000, 0.0003478600000000 ] - [ -0.0000845600000000, -0.0002214900000000, 0.0008652000000000 ] - [ 0.0002267500000000, -0.0029224000000000, 0.0006871400000000 ] - [ -0.0003885000000000, -0.0000910500000000, 0.0002952100000000 ] - [ 0.0001674500000000, -0.0000736000000000, 0.0011049700000000 ] - [ 0.0002771100000000, 0.0003532900000000, -0.0002289400000000 ] - [ -0.0004574000000000, 0.0009880700000000, 0.0003921100000000 ] - [ -0.0002617500000000, -0.0003527600000000, -0.0006256900000000 ] - [ 0.0003747700000000, -0.0002754400000000, -0.0000721600000000 ] - [ 0.0001517800000000, 0.0000176600000000, 0.0001546700000000 ] - [ 0.0002003300000000, -0.0001476300000000, 0.0000157000000000 ] - [ -0.0002999400000000, 0.0002419500000000, 0.0006429700000000 ] - [ 0.0002183200000000, -0.0002555000000000, 0.0000126700000000 ] - [ -0.0003100300000000, -0.0003550900000000, -0.0001856300000000 ] - [ 0.0000770500000000, 0.0000429100000000, 0.0009601900000000 ] - [ 0.0001506500000000, -0.0007131200000000, -0.0002192000000000 ] - [ -0.0001451700000000, 0.0000077600000000, 0.0001341900000000 ] - [ 0.0008786600000000, 0.0006312700000000, -0.0002512200000000 ] - [ 0.0005689900000000, 0.0007190600000000, 0.0002644000000000 ] - [ 0.0004573700000000, 0.0010179500000000, 0.0003756100000000 ] - [ 0.0003567400000000, 0.0003168100000000, -0.0000678200000000 ] - [ 0.0003839500000000, 0.0001738900000000, 0.0008405300000000 ] - [ -0.0000948400000000, 0.0000233800000000, -0.0002168900000000 ] - [ -0.0001466000000000, 0.0002535500000000, -0.0001548000000000 ] - [ -0.0001703800000000, -0.0005834100000000, -0.0001079400000000 ] - [ -0.0005383900000000, 0.0004561700000000, -0.0014365100000000 ] - [ -0.0000316600000000, 0.0004815600000000, 0.0005098200000000 ] - [ -0.0002118300000000, 0.0023356900000000, 0.0019712700000000 ] - [ 0.0008640200000000, -0.0005287000000000, -0.0002468600000000 ] - [ 0.0023532300000000, -0.0014918800000000, -0.0001071600000000 ] - [ -0.0001934700000000, 0.0001710300000000, 0.0001310000000000 ] - [ -0.0001359300000000, -0.0005019800000000, 0.0002857100000000 ] - [ 0.0000853900000000, 0.0003758100000000, 0.0008526300000000 ] - [ -0.0001196600000000, 0.0005569400000000, 0.0003070700000000 ] - [ -0.0002615100000000, 0.0005897900000000, 0.0003682700000000 ] - [ -0.0002989900000000, 0.0000933100000000, 0.0010380900000000 ] - [ 0.0004681800000000, -0.0024801300000000, -0.0022019300000000 ] - [ 0.0001048300000000, 0.0005361700000000, -0.0002474000000000 ] - [ -0.0037271200000000, -0.0001033400000000, 0.0000355200000000 ] - [ -0.0005698500000000, 0.0007216300000000, 0.0002635600000000 ] - [ 0.0002155600000000, -0.0004559800000000, 0.0006859700000000 ] - [ -0.0004345700000000, -0.0001309400000000, -0.0004041700000000 ] - [ 0.0003112600000000, -0.0002973100000000, -0.0001915200000000 ] - [ -0.0002348700000000, -0.0000371200000000, -0.0000397000000000 ] - [ 0.0003050300000000, -0.0005460600000000, 0.0002217600000000 ] - [ 0.0003301400000000, 0.0003184200000000, -0.0006164300000000 ] - [ -0.0003323900000000, 0.0001024800000000, -0.0004625300000000 ] - [ -0.0002963300000000, -0.0001472200000000, 0.0006258300000000 ] - [ 0.0003140600000000, -0.0002364700000000, -0.0006430800000000 ] - [ -0.0005477900000000, -0.0003690600000000, -0.0001006300000000 ] - [ -0.0001035300000000, 0.0004284600000000, -0.0001443500000000 ] - [ 0.0002427100000000, 0.0000593600000000, -0.0001906800000000 ] - [ -0.0000895700000000, 0.0003238500000000, 0.0008621200000000 ] - [ 0.0001358600000000, 0.0002587100000000, -0.0001250000000000 ] - [ 0.0002726600000000, 0.0005954300000000, 0.0002069200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0276816500000000, -0.1837977100000000, 0.0101580500000000 ] - [ 0.0002307600000000, -0.0009034300000000, -0.0017074600000000 ] - [ -0.0004886600000000, 0.0016421400000000, -0.0001635900000000 ] - [ -0.0002823700000000, 0.0010821800000000, -0.0004686100000000 ] - [ 0.0001485400000000, 0.0007690200000000, 0.0001672600000000 ] - [ -0.0001337300000000, 0.0011112400000000, 0.0009622600000000 ] - [ 0.0002207900000000, 0.0012204400000000, 0.0009917200000000 ] - [ 0.0000027000000000, 0.0004070700000000, 0.0000266300000000 ] - [ -0.0004570300000000, 0.0009747600000000, -0.0005032500000000 ] - [ -0.0016869000000000, 0.0059703800000000, 0.0094082000000000 ] - [ -0.0007787200000000, 0.0003088200000000, 0.0002021900000000 ] - [ -0.0003108400000000, -0.0007405900000000, 0.0011553700000000 ] - [ 0.0011939900000000, 0.0056735200000000, -0.0103255800000000 ] - [ -0.0001300300000000, 0.0005625000000000, -0.0004427600000000 ] - [ -0.0000996600000000, 0.0010996400000000, -0.0001087100000000 ] - [ 0.0003808500000000, -0.0066850700000000, -0.0006817000000000 ] - [ 0.0004165500000000, 0.0007543500000000, -0.0005139400000000 ] - [ 0.0007704800000000, 0.0000618000000000, -0.0001266700000000 ] - [ -0.0005376200000000, -0.0001216700000000, -0.0008622400000000 ] - [ -0.0004855100000000, -0.0013284800000000, -0.0005908100000000 ] - [ 0.0004650700000000, 0.0000104700000000, 0.0019825600000000 ] - [ 0.0000953300000000, 0.0004466200000000, 0.0009439300000000 ] - [ 0.0000306600000000, 0.0004346300000000, 0.0010400500000000 ] - [ -0.0001470000000000, 0.0013855800000000, 0.0002539700000000 ] - [ -0.0002538300000000, -0.0014073100000000, -0.0005667500000000 ] - [ 0.0005256900000000, 0.0013401500000000, 0.0001328000000000 ] - [ -0.0006265200000000, -0.0013320000000000, 0.0009619300000000 ] - [ 0.0000085200000000, 0.0010832800000000, 0.0001035200000000 ] - [ -0.0000749700000000, 0.0008203900000000, -0.0002084300000000 ] - [ 0.0001537800000000, 0.0012695700000000, -0.0003777400000000 ] - [ 0.0002740900000000, -0.0006461300000000, -0.0013292800000000 ] - [ 0.0003224800000000, 0.0008551900000000, -0.0004874600000000 ] - [ 0.0002487200000000, -0.0102521700000000, -0.0035618800000000 ] - [ 0.0006680500000000, -0.0005234700000000, 0.0006860300000000 ] - [ 0.0000943500000000, 0.0020270200000000, -0.0005158200000000 ] - [ 0.0007929500000000, 0.0045118200000000, -0.0001185100000000 ] - [ 0.0000098200000000, 0.0014534000000000, -0.0014274900000000 ] - [ 0.0005269500000000, 0.0018963400000000, -0.0003444000000000 ] - [ -0.0046851300000000, 0.0029293900000000, 0.0048776200000000 ] - [ 0.0196794400000000, 0.0116540800000000, -0.0124255800000000 ] - [ 0.0002274600000000, -0.0006507400000000, -0.0011838400000000 ] - [ -0.0003743000000000, 0.0013103600000000, -0.0004621200000000 ] - [ 0.0191727200000000, 0.0069957300000000, 0.0132259600000000 ] - [ 0.0003655400000000, 0.0023012800000000, 0.0001262100000000 ] - [ 0.0003299000000000, 0.0026719800000000, -0.0002568200000000 ] - [ -0.0011261000000000, 0.0034985200000000, -0.0007292800000000 ] - [ -0.0007179900000000, 0.0017925400000000, 0.0003723500000000 ] - [ -0.0001576400000000, -0.0086145400000000, 0.0032291500000000 ] - [ -0.0005979400000000, 0.0020196100000000, -0.0003010400000000 ] - [ 0.0009501800000000, 0.0023814900000000, 0.0004669200000000 ] - [ 0.0006277900000000, -0.0068762400000000, 0.0034202800000000 ] - [ 0.0008436900000000, 0.0014399600000000, -0.0007556000000000 ] - [ 0.0003070200000000, -0.0018484200000000, -0.0013512500000000 ] - [ -0.0005771800000000, -0.0077011000000000, -0.0039071600000000 ] - [ -0.0005812700000000, 0.0013066800000000, -0.0006866500000000 ] - [ -0.0002955100000000, 0.0020179700000000, -0.0006937100000000 ] - [ 0.0005951800000000, 0.0024209200000000, -0.0012051500000000 ] - [ -0.0064852300000000, 0.0029784400000000, -0.0062444100000000 ] - [ -0.0000596500000000, 0.0008078700000000, -0.0010716700000000 ] - [ 0.0004767800000000, -0.0007497800000000, -0.0001823400000000 ] - [ 0.0002173800000000, -0.0006055000000000, -0.0003653800000000 ] - [ -0.0007939700000000, -0.0000346300000000, -0.0004663200000000 ] - [ -0.0005815800000000, 0.0049690500000000, 0.0013175400000000 ] - [ -0.0000278600000000, 0.0021304800000000, -0.0005532100000000 ] - [ -0.0010058800000000, -0.0053719200000000, -0.0016469600000000 ] - [ -0.0003008500000000, -0.0022835800000000, -0.0003732700000000 ] - [ -0.0002779100000000, -0.0013308600000000, 0.0013439000000000 ] - [ -0.0004189500000000, -0.0020348100000000, 0.0000238500000000 ] - [ -0.0002914300000000, -0.0007494200000000, 0.0001439200000000 ] - [ 0.0000615800000000, -0.0007320800000000, 0.0004169700000000 ] - [ 0.0003118600000000, -0.0007674900000000, -0.0000069700000000 ] - [ 0.0005414500000000, 0.0049395500000000, -0.0019908200000000 ] - [ -0.0004230900000000, -0.0009195400000000, -0.0006750500000000 ] - [ -0.0033786500000000, 0.0011305400000000, -0.0015665800000000 ] - [ 0.0000019200000000, -0.0009355200000000, -0.0015285100000000 ] - [ 0.0002907200000000, -0.0005694500000000, 0.0003785500000000 ] - [ 0.0001662200000000, 0.0070532500000000, 0.0026617800000000 ] - [ -0.0002629100000000, -0.0007827900000000, -0.0003256300000000 ] - [ 0.0012243800000000, -0.0024454500000000, -0.0001213900000000 ] - [ 0.0000126400000000, -0.0010009600000000, 0.0013236300000000 ] - [ 0.0002459800000000, -0.0020571700000000, -0.0008034600000000 ] - [ -0.0001533800000000, 0.0001496200000000, 0.0006428100000000 ] - [ 0.0017865700000000, 0.0029561900000000, -0.0004002800000000 ] - [ -0.0006220700000000, 0.0049233900000000, 0.0021773900000000 ] - [ 0.0003518500000000, 0.0020235700000000, 0.0011041800000000 ] - [ 0.0147063200000000, 0.0656836200000000, -0.0006574600000000 ] - [ 0.0002412300000000, -0.0009273500000000, 0.0002737400000000 ] - [ 0.0001574000000000, -0.0008822700000000, -0.0001200700000000 ] - [ -0.0002121300000000, 0.0004968300000000, 0.0002661800000000 ] - [ -0.0001883600000000, -0.0007328000000000, -0.0000450000000000 ] - [ -0.0005992100000000, -0.0015379000000000, 0.0004164100000000 ] - [ 0.0000711100000000, -0.0002728900000000, 0.0001575400000000 ] - [ 0.0006048500000000, -0.0014356800000000, 0.0003225800000000 ] - [ 0.0001263200000000, 0.0022072300000000, 0.0003604500000000 ] - [ -0.0008297800000000, -0.0011605700000000, -0.0002912600000000 ] - [ -0.0002771000000000, -0.0004026400000000, -0.0000723900000000 ] - [ 0.0029511600000000, 0.0785740600000000, -0.0097274800000000 ] - [ -0.0000935700000000, -0.0007722200000000, 0.0018188000000000 ] - [ -0.0037742500000000, 0.0029820500000000, 0.0012488300000000 ] - [ -0.0002791400000000, -0.0011178500000000, 0.0008705900000000 ] - [ -0.0000342400000000, -0.0001795600000000, 0.0007112300000000 ] - [ 0.0004326400000000, -0.0023589500000000, -0.0002833000000000 ] - [ 0.0000902400000000, 0.0001057000000000, 0.0000257200000000 ] - [ -0.0009125300000000, -0.0000237100000000, -0.0002156200000000 ] - [ -0.0006522200000000, 0.0021371400000000, -0.0006007100000000 ] - [ 0.0003556100000000, -0.0013106200000000, 0.0009862800000000 ] - [ 0.0000254100000000, -0.0007506700000000, 0.0001537100000000 ] - [ 0.0002553000000000, -0.0005529700000000, -0.0004278200000000 ] - [ -0.0002839200000000, -0.0001461500000000, -0.0001688700000000 ] - [ 0.0001882300000000, -0.0012998800000000, 0.0004091600000000 ] - [ -0.0031946300000000, 0.0053592000000000, -0.0002974600000000 ] - [ -0.0002200100000000, -0.0003604500000000, -0.0006331100000000 ] - [ 0.0010906500000000, 0.0055519000000000, -0.0015284600000000 ] - [ -0.0050252200000000, 0.0031093600000000, -0.0017284500000000 ] - [ -0.0004501500000000, -0.0009776200000000, -0.0001089000000000 ] - [ -0.0000304100000000, -0.0008797200000000, -0.0002266700000000 ] - [ 0.0000715100000000, -0.0001466600000000, -0.0002642400000000 ] - [ 0.0000936900000000, -0.0000444900000000, 0.0001643600000000 ] - [ 0.0001244000000000, -0.0006615400000000, -0.0023971800000000 ] - [ -0.0015252600000000, -0.0035894500000000, 0.0011050500000000 ] - [ 0.0002901800000000, -0.0014959800000000, -0.0002296100000000 ] - [ -0.0002643500000000, -0.0001111700000000, 0.0006926900000000 ] - [ -0.0002693000000000, -0.0007737400000000, 0.0016944100000000 ] - [ -0.0005282400000000, 0.0030756600000000, 0.0020298400000000 ] - [ -0.0000635500000000, 0.0002817600000000, -0.0003267500000000 ] - [ -0.0000974300000000, -0.0009563500000000, -0.0002680900000000 ] - [ 0.0003768600000000, 0.0002619600000000, 0.0001333100000000 ] - [ -0.0004994800000000, -0.0002070900000000, 0.0008390900000000 ] - [ -0.0002240600000000, 0.0010083500000000, -0.0010113200000000 ] - [ 0.0004089100000000, -0.0007734600000000, -0.0000399100000000 ] - [ -0.0000070100000000, -0.0005992000000000, -0.0000912800000000 ] - [ 0.0003590200000000, -0.0014785800000000, 0.0022098900000000 ] - [ -0.0002563000000000, -0.0006701200000000, 0.0004384900000000 ] - [ -0.0003043400000000, 0.0001142000000000, -0.0007461500000000 ] - [ -0.0003442100000000, -0.0010076100000000, -0.0001803500000000 ] - [ 0.0000235900000000, -0.0002022800000000, 0.0012671900000000 ] - [ 0.0001286400000000, -0.0005331000000000, -0.0001813700000000 ] - [ 0.0000219000000000, -0.0008700300000000, 0.0000809900000000 ] - [ 0.0008658700000000, -0.0000559100000000, -0.0002225500000000 ] - [ 0.0005284200000000, -0.0001233500000000, 0.0001948300000000 ] - [ 0.0004844900000000, -0.0005789500000000, 0.0011659100000000 ] - [ 0.0003258500000000, -0.0002047500000000, -0.0000835700000000 ] - [ 0.0005220800000000, 0.0018671800000000, 0.0001271600000000 ] - [ -0.0000463800000000, -0.0001615300000000, -0.0000546400000000 ] - [ 0.0000216800000000, -0.0004007800000000, 0.0000636800000000 ] - [ -0.0001925500000000, -0.0014251400000000, -0.0003402500000000 ] - [ -0.0005611500000000, 0.0006330900000000, 0.0011367100000000 ] - [ 0.0001688500000000, 0.0013447300000000, 0.0005404200000000 ] - [ -0.0015411200000000, 0.0036146400000000, -0.0027302500000000 ] - [ 0.0008796700000000, -0.0011985700000000, -0.0002850200000000 ] - [ -0.0019468900000000, 0.0013220700000000, -0.0001700000000000 ] - [ -0.0004264600000000, 0.0008550400000000, 0.0000959500000000 ] - [ -0.0001578100000000, -0.0011058600000000, 0.0004368300000000 ] - [ 0.0001195400000000, -0.0000658000000000, 0.0013983800000000 ] - [ -0.0000982000000000, -0.0000645700000000, 0.0001689500000000 ] - [ -0.0003013500000000, 0.0010488300000000, -0.0001374200000000 ] - [ 0.0001900000000000, -0.0008401200000000, 0.0006122400000000 ] - [ 0.0006663100000000, 0.0004660400000000, -0.0000866700000000 ] - [ 0.0000170300000000, -0.0015581100000000, 0.0006372500000000 ] - [ 0.0001383500000000, 0.0027559400000000, 0.0003201300000000 ] - [ -0.0005335800000000, -0.0002099600000000, 0.0001052600000000 ] - [ 0.0001582000000000, 0.0012086900000000, 0.0010818300000000 ] - [ 0.0002722900000000, -0.0017349600000000, 0.0025628200000000 ] - [ 0.0003438300000000, -0.0014800300000000, -0.0004330800000000 ] - [ 0.0006622500000000, -0.0013823000000000, -0.0003453600000000 ] - [ 0.0000644400000000, 0.0002784400000000, 0.0001469700000000 ] - [ 0.0002276600000000, -0.0002784700000000, -0.0007175200000000 ] - [ -0.0004318000000000, 0.0014154400000000, -0.0001841400000000 ] - [ -0.0003405100000000, -0.0010804000000000, 0.0008542100000000 ] - [ 0.0004182400000000, -0.0008444900000000, -0.0005625500000000 ] - [ -0.0003219500000000, 0.0002624600000000, -0.0001609300000000 ] - [ -0.0000130800000000, -0.0000588200000000, -0.0001415600000000 ] - [ -0.0004802200000000, -0.0008511000000000, -0.0003121700000000 ] - [ 0.0000703500000000, -0.0005958100000000, 0.0003985600000000 ] - [ 0.0002295000000000, -0.0003182700000000, -0.0004030700000000 ] - [ 0.0002655100000000, -0.0003750100000000, 0.0007994100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0293016700000000, 0.1828822600000000, -0.0100943200000000 ] - [ 0.0010597300000000, -0.0003726400000000, 0.0017437500000000 ] - [ -0.0008025300000000, -0.0003495300000000, 0.0001925300000000 ] - [ -0.0004566000000000, -0.0009818500000000, -0.0005168200000000 ] - [ -0.0000719800000000, -0.0007938200000000, -0.0001831900000000 ] - [ 0.0001356300000000, -0.0011129900000000, -0.0003551400000000 ] - [ -0.0002228500000000, -0.0012226900000000, 0.0001122200000000 ] - [ -0.0000032000000000, -0.0004055400000000, 0.0010816800000000 ] - [ -0.0002819000000000, -0.0010764600000000, -0.0004820800000000 ] - [ 0.0029494300000000, -0.0046064200000000, -0.0092610500000000 ] - [ -0.0005124700000000, -0.0016029100000000, -0.0001736400000000 ] - [ 0.0002383600000000, 0.0007730700000000, -0.0011734100000000 ] - [ -0.0011392600000000, -0.0057335900000000, 0.0104306800000000 ] - [ 0.0001307400000000, -0.0005623500000000, 0.0010570800000000 ] - [ 0.0000225000000000, -0.0011263800000000, 0.0000942700000000 ] - [ 0.0003626000000000, 0.0067837800000000, -0.0002874900000000 ] - [ 0.0003222100000000, -0.0008557100000000, -0.0004719200000000 ] - [ 0.0005207900000000, -0.0013566700000000, 0.0001537200000000 ] - [ -0.0007562700000000, 0.0014103100000000, 0.0008875700000000 ] - [ -0.0002535500000000, 0.0014289500000000, -0.0003946300000000 ] - [ -0.0003830900000000, -0.0000417000000000, -0.0019885200000000 ] - [ -0.0000952400000000, -0.0004491500000000, -0.0003315600000000 ] - [ -0.0000309400000000, -0.0004363400000000, 0.0000676000000000 ] - [ 0.0001458800000000, -0.0013826300000000, 0.0008514200000000 ] - [ -0.0004853100000000, 0.0013062600000000, -0.0004187600000000 ] - [ 0.0007657000000000, -0.0000459300000000, -0.0001059200000000 ] - [ -0.0006683500000000, 0.0000427400000000, -0.0009382400000000 ] - [ -0.0000843600000000, -0.0010589200000000, -0.0001179300000000 ] - [ 0.0001517300000000, -0.0007962500000000, 0.0001926800000000 ] - [ -0.0001519900000000, -0.0012675200000000, 0.0009856100000000 ] - [ -0.0003474300000000, 0.0006152500000000, 0.0013096100000000 ] - [ 0.0004165600000000, -0.0007547200000000, -0.0004982700000000 ] - [ -0.0008493700000000, 0.0100840100000000, 0.0026370200000000 ] - [ 0.0008283100000000, -0.0013310100000000, -0.0006012500000000 ] - [ 0.0005278400000000, -0.0019017600000000, -0.0003404900000000 ] - [ 0.0007010800000000, -0.0026718700000000, 0.0002045500000000 ] - [ 0.0003423800000000, -0.0026703700000000, -0.0003031400000000 ] - [ 0.0000950100000000, -0.0020237900000000, -0.0005119200000000 ] - [ 0.0037745300000000, -0.0029641800000000, -0.0060418300000000 ] - [ -0.0198392300000000, -0.0102330200000000, 0.0105450400000000 ] - [ 0.0007363100000000, 0.0006690800000000, 0.0000730000000000 ] - [ -0.0005836300000000, -0.0013082100000000, -0.0006478800000000 ] - [ -0.0197261100000000, -0.0083476300000000, -0.0151243800000000 ] - [ 0.0005920000000000, -0.0023022000000000, -0.0012379800000000 ] - [ 0.0000221600000000, -0.0014571400000000, -0.0014745400000000 ] - [ -0.0003702300000000, -0.0053616200000000, 0.0008150300000000 ] - [ -0.0007784900000000, 0.0000716900000000, -0.0002888600000000 ] - [ -0.0004704800000000, 0.0087883900000000, -0.0041305400000000 ] - [ -0.0000241500000000, -0.0021462700000000, -0.0005576100000000 ] - [ 0.0005463700000000, -0.0042286500000000, -0.0003793300000000 ] - [ -0.0000091200000000, 0.0069675500000000, -0.0042298700000000 ] - [ 0.0006527700000000, 0.0004147600000000, 0.0008398300000000 ] - [ 0.0000443700000000, 0.0006396400000000, -0.0003771100000000 ] - [ 0.0012109200000000, 0.0075913500000000, 0.0030651500000000 ] - [ -0.0003760600000000, -0.0013101800000000, -0.0004233500000000 ] - [ -0.0000566700000000, -0.0008000200000000, -0.0010354800000000 ] - [ 0.0003618000000000, -0.0024222000000000, 0.0000944000000000 ] - [ 0.0054909200000000, -0.0029499300000000, 0.0050957100000000 ] - [ -0.0002927200000000, -0.0020269600000000, -0.0006577400000000 ] - [ 0.0004830000000000, 0.0007345300000000, -0.0009312600000000 ] - [ 0.0001346500000000, 0.0018154900000000, -0.0013643000000000 ] - [ -0.0007025200000000, -0.0018299300000000, 0.0005491400000000 ] - [ -0.0009121600000000, -0.0031049000000000, -0.0012251000000000 ] - [ -0.0005944300000000, -0.0020055400000000, -0.0003051400000000 ] - [ 0.0015513500000000, 0.0042328900000000, 0.0021791000000000 ] - [ -0.0002526600000000, 0.0011497300000000, 0.0008997200000000 ] - [ 0.0001056000000000, 0.0006342400000000, 0.0004092900000000 ] - [ -0.0004979200000000, 0.0002266400000000, 0.0008397700000000 ] - [ -0.0000033300000000, 0.0008043200000000, 0.0001273800000000 ] - [ 0.0001116000000000, 0.0000321300000000, 0.0013405300000000 ] - [ 0.0003116400000000, 0.0016202300000000, -0.0003689800000000 ] - [ -0.0014570700000000, -0.0031578900000000, 0.0028619600000000 ] - [ -0.0002201800000000, 0.0003591800000000, -0.0006192200000000 ] - [ 0.0040710100000000, -0.0016828300000000, 0.0014192100000000 ] - [ 0.0002949700000000, 0.0008844400000000, 0.0018080500000000 ] - [ 0.0000043500000000, 0.0006234000000000, -0.0001084200000000 ] - [ -0.0007245600000000, -0.0066135400000000, -0.0014179400000000 ] - [ 0.0000045100000000, 0.0003691300000000, 0.0000448500000000 ] - [ -0.0018683400000000, 0.0016134600000000, -0.0002541900000000 ] - [ -0.0000183700000000, 0.0010035500000000, 0.0006151900000000 ] - [ -0.0000560700000000, 0.0013564800000000, 0.0005461100000000 ] - [ -0.0001396100000000, -0.0002087700000000, -0.0003761700000000 ] - [ -0.0000601200000000, -0.0017989700000000, -0.0000887600000000 ] - [ 0.0017738500000000, -0.0036363700000000, -0.0016780500000000 ] - [ 0.0005644600000000, -0.0002388700000000, -0.0002195400000000 ] - [ -0.0151956300000000, -0.0686922400000000, 0.0003564900000000 ] - [ 0.0003557100000000, 0.0013304100000000, 0.0010094000000000 ] - [ -0.0001560500000000, 0.0008836000000000, -0.0002572500000000 ] - [ -0.0000462100000000, -0.0000873700000000, -0.0005481900000000 ] - [ -0.0000017800000000, 0.0000290000000000, -0.0002135900000000 ] - [ -0.0005332700000000, 0.0002158700000000, 0.0000995800000000 ] - [ 0.0001807700000000, 0.0013079800000000, 0.0004322600000000 ] - [ 0.0005276900000000, 0.0001130300000000, 0.0001942600000000 ] - [ 0.0016121700000000, -0.0033678000000000, -0.0008630700000000 ] - [ -0.0009130500000000, 0.0000110400000000, -0.0002182900000000 ] - [ -0.0004482400000000, 0.0009714700000000, -0.0000710200000000 ] - [ -0.0027207200000000, -0.0752887200000000, 0.0094812000000000 ] - [ 0.0002668000000000, 0.0014714200000000, -0.0000649500000000 ] - [ 0.0035409500000000, -0.0019724300000000, -0.0006625400000000 ] - [ -0.0002744000000000, 0.0022529200000000, -0.0003449100000000 ] - [ 0.0000344000000000, 0.0001782200000000, 0.0012283500000000 ] - [ 0.0004838900000000, 0.0005517100000000, 0.0011487300000000 ] - [ 0.0000989500000000, 0.0005898100000000, -0.0002825100000000 ] - [ -0.0008304000000000, 0.0011737900000000, -0.0002940500000000 ] - [ -0.0004735700000000, -0.0008339400000000, 0.0011069700000000 ] - [ 0.0002418700000000, 0.0009078000000000, 0.0002963800000000 ] - [ 0.0002340800000000, 0.0003370700000000, -0.0004363400000000 ] - [ 0.0003687200000000, -0.0003005200000000, 0.0000544000000000 ] - [ -0.0003395000000000, 0.0009964600000000, -0.0002067500000000 ] - [ 0.0000636800000000, 0.0002651200000000, 0.0001808100000000 ] - [ 0.0037333100000000, -0.0048452400000000, -0.0008823700000000 ] - [ -0.0004234600000000, 0.0009210100000000, -0.0006605400000000 ] - [ -0.0017457200000000, -0.0059845400000000, 0.0027603600000000 ] - [ 0.0057075900000000, -0.0035774700000000, 0.0004958600000000 ] - [ -0.0002752200000000, 0.0004090600000000, -0.0000342400000000 ] - [ -0.0001602200000000, 0.0015887100000000, -0.0000295500000000 ] - [ -0.0000717400000000, 0.0001452700000000, -0.0001126900000000 ] - [ -0.0002673700000000, 0.0007426600000000, 0.0015938500000000 ] - [ 0.0001259100000000, 0.0010788300000000, 0.0021296100000000 ] - [ 0.0020814300000000, 0.0047230800000000, -0.0005665600000000 ] - [ 0.0002634200000000, 0.0003581200000000, 0.0007560700000000 ] - [ -0.0002892600000000, -0.0010197100000000, -0.0001637100000000 ] - [ 0.0000957000000000, 0.0000753100000000, 0.0000642300000000 ] - [ -0.0003865100000000, -0.0048592100000000, -0.0011551600000000 ] - [ -0.0002294200000000, -0.0002227200000000, 0.0005939900000000 ] - [ 0.0002704600000000, 0.0002566800000000, 0.0020248000000000 ] - [ 0.0002471400000000, 0.0005908500000000, -0.0005075800000000 ] - [ -0.0004174100000000, 0.0020157500000000, 0.0000242600000000 ] - [ -0.0004225800000000, -0.0015708700000000, -0.0002839600000000 ] - [ 0.0003168500000000, 0.0002041100000000, -0.0001031800000000 ] - [ 0.0003021900000000, 0.0005451300000000, 0.0003619100000000 ] - [ -0.0000584000000000, 0.0015273400000000, -0.0019283500000000 ] - [ -0.0003405000000000, 0.0010724900000000, 0.0008437600000000 ] - [ 0.0000448600000000, -0.0005239800000000, 0.0004633000000000 ] - [ -0.0002792500000000, 0.0001572500000000, -0.0001944500000000 ] - [ -0.0000235200000000, 0.0002033500000000, 0.0006727300000000 ] - [ 0.0000613500000000, -0.0001634600000000, -0.0000746900000000 ] - [ -0.0003165100000000, 0.0008152000000000, 0.0001899800000000 ] - [ 0.0008770400000000, 0.0012057300000000, -0.0002865100000000 ] - [ 0.0006041700000000, 0.0014459900000000, 0.0003221300000000 ] - [ 0.0004321400000000, 0.0023868300000000, -0.0003010200000000 ] - [ 0.0003999900000000, 0.0007740400000000, -0.0000594800000000 ] - [ 0.0000711200000000, -0.0014592200000000, 0.0011562100000000 ] - [ 0.0000464500000000, 0.0001625300000000, -0.0003218900000000 ] - [ -0.0002804900000000, 0.0008143800000000, -0.0003449800000000 ] - [ 0.0000010200000000, 0.0007172000000000, 0.0000809000000000 ] - [ -0.0005717000000000, -0.0019396600000000, -0.0006282400000000 ] - [ 0.0000822100000000, -0.0003127800000000, 0.0000473200000000 ] - [ 0.0026562900000000, -0.0048912100000000, 0.0032321200000000 ] - [ 0.0008631700000000, 0.0000484600000000, -0.0002239000000000 ] - [ 0.0001876900000000, -0.0024739000000000, -0.0003498000000000 ] - [ -0.0002986900000000, -0.0002880300000000, -0.0002409600000000 ] - [ -0.0000942500000000, 0.0000702100000000, 0.0001527700000000 ] - [ 0.0000537900000000, 0.0007656700000000, 0.0003590600000000 ] - [ -0.0001537200000000, 0.0011002900000000, 0.0004206500000000 ] - [ -0.0002524700000000, 0.0000813400000000, 0.0006661600000000 ] - [ -0.0001933500000000, 0.0008384600000000, 0.0013258700000000 ] - [ 0.0002587000000000, -0.0022550800000000, 0.0009695400000000 ] - [ 0.0001725900000000, 0.0022600600000000, -0.0008970100000000 ] - [ -0.0018776500000000, -0.0015984900000000, -0.0008321100000000 ] - [ -0.0005990700000000, 0.0015324800000000, 0.0004110500000000 ] - [ 0.0004381900000000, -0.0016170600000000, 0.0002011800000000 ] - [ -0.0000154200000000, 0.0013143500000000, -0.0028363100000000 ] - [ 0.0002798900000000, 0.0006284400000000, 0.0000576200000000 ] - [ -0.0012779700000000, 0.0022227900000000, -0.0000324800000000 ] - [ 0.0001875500000000, -0.0013119600000000, 0.0004424100000000 ] - [ 0.0004159900000000, 0.0008388000000000, -0.0005754500000000 ] - [ -0.0002121200000000, -0.0008531100000000, -0.0011102200000000 ] - [ -0.0002564200000000, 0.0006780700000000, 0.0004277700000000 ] - [ 0.0002253200000000, 0.0002843000000000, -0.0007307600000000 ] - [ -0.0004035200000000, -0.0008289900000000, 0.0000168200000000 ] - [ -0.0001773400000000, 0.0007624300000000, -0.0001165000000000 ] - [ 0.0004853600000000, 0.0008498000000000, -0.0000649200000000 ] - [ -0.0002429300000000, 0.0012933700000000, 0.0013548400000000 ] - [ 0.0000297300000000, 0.0007321100000000, 0.0001209800000000 ] - [ 0.0002883700000000, 0.0015130000000000, -0.0002730700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0044266200000000, 0.0100847000000000, -0.0332875500000000 ] - [ 0.0019903200000000, -0.0047473300000000, -0.0010312500000000 ] - [ -0.0006678100000000, 0.0005963200000000, -0.0001094800000000 ] - [ -0.0003647600000000, 0.0000244400000000, -0.0005575900000000 ] - [ 0.0000474800000000, 0.0000392000000000, 0.0001134800000000 ] - [ -0.0000484000000000, 0.0004407000000000, 0.0004126800000000 ] - [ 0.0001003500000000, 0.0005657800000000, 0.0006360500000000 ] - [ 0.0001556000000000, -0.0006153500000000, 0.0005009300000000 ] - [ -0.0003616000000000, -0.0000598400000000, -0.0005563300000000 ] - [ 0.0009570700000000, 0.0065367200000000, -0.0015361200000000 ] - [ -0.0006721900000000, -0.0006223000000000, -0.0001164000000000 ] - [ 0.0002714000000000, 0.0009659700000000, 0.0012119100000000 ] - [ -0.0004184800000000, -0.0049893400000000, -0.0015234800000000 ] - [ -0.0001964200000000, -0.0005892900000000, 0.0002315100000000 ] - [ -0.0000553700000000, -0.0001348600000000, -0.0001279100000000 ] - [ 0.0001837500000000, 0.0002463500000000, -0.0106597900000000 ] - [ 0.0003755200000000, -0.0000702100000000, -0.0004270000000000 ] - [ 0.0006172400000000, -0.0006834800000000, 0.0001470000000000 ] - [ -0.0008969600000000, -0.0001240700000000, 0.0014090600000000 ] - [ -0.0004676400000000, 0.0001476000000000, 0.0017544400000000 ] - [ 0.0005155500000000, 0.0025156500000000, -0.0013425900000000 ] - [ -0.0001524900000000, 0.0005205200000000, 0.0002210200000000 ] - [ 0.0001319400000000, 0.0006168000000000, 0.0004883800000000 ] - [ 0.0000447700000000, -0.0005606000000000, 0.0006237200000000 ] - [ -0.0005306100000000, -0.0001225300000000, 0.0016068100000000 ] - [ 0.0006193300000000, 0.0006652400000000, 0.0001411700000000 ] - [ -0.0007828400000000, 0.0004083200000000, 0.0017165400000000 ] - [ -0.0000418700000000, 0.0000868100000000, -0.0001272700000000 ] - [ 0.0000536700000000, -0.0000590100000000, 0.0001241900000000 ] - [ -0.0000524500000000, -0.0005356900000000, 0.0004697000000000 ] - [ 0.0001774200000000, -0.0011270500000000, 0.0013695900000000 ] - [ 0.0003774700000000, 0.0000433500000000, -0.0004283600000000 ] - [ 0.0048319800000000, 0.0045081100000000, 0.0191958100000000 ] - [ 0.0006539800000000, -0.0009485100000000, 0.0009116800000000 ] - [ 0.0003228800000000, -0.0000043700000000, -0.0005181900000000 ] - [ 0.0011541200000000, 0.0000768500000000, -0.0015455200000000 ] - [ 0.0002009100000000, -0.0007528100000000, -0.0008854800000000 ] - [ 0.0003165400000000, -0.0000612500000000, -0.0005203900000000 ] - [ -0.0030876500000000, 0.0051990600000000, -0.0029060100000000 ] - [ -0.0070682400000000, -0.0116525400000000, -0.0023386200000000 ] - [ -0.0000679000000000, -0.0032928000000000, 0.0019015800000000 ] - [ -0.0004072900000000, -0.0002135300000000, -0.0004751400000000 ] - [ 0.0061030200000000, 0.0114848200000000, -0.0038292800000000 ] - [ 0.0005390800000000, 0.0002370300000000, -0.0006052800000000 ] - [ 0.0001894700000000, 0.0006789900000000, -0.0009053800000000 ] - [ -0.0011566700000000, -0.0001341200000000, -0.0012124100000000 ] - [ -0.0005270000000000, 0.0009941800000000, 0.0014291900000000 ] - [ -0.0057016600000000, -0.0026865800000000, 0.0135693600000000 ] - [ -0.0002899200000000, -0.0001575200000000, -0.0003364100000000 ] - [ 0.0009225000000000, -0.0003943600000000, -0.0014087500000000 ] - [ 0.0036520900000000, -0.0024897300000000, 0.0106906300000000 ] - [ 0.0006336200000000, 0.0010078400000000, 0.0009308100000000 ] - [ 0.0001968500000000, -0.0025986600000000, 0.0016032500000000 ] - [ -0.0021289800000000, 0.0008694400000000, 0.0100646800000000 ] - [ -0.0003967800000000, 0.0001774100000000, -0.0004739700000000 ] - [ -0.0001554500000000, 0.0004483800000000, -0.0008517700000000 ] - [ 0.0005102700000000, -0.0003710200000000, -0.0005620500000000 ] - [ 0.0013387100000000, -0.0041574100000000, -0.0016322400000000 ] - [ -0.0001635300000000, -0.0005020100000000, -0.0008424700000000 ] - [ -0.0002550800000000, 0.0029755900000000, 0.0017441100000000 ] - [ 0.0003705600000000, 0.0027278000000000, 0.0017873600000000 ] - [ -0.0005497300000000, -0.0009803900000000, 0.0013439900000000 ] - [ -0.0009201900000000, 0.0001213600000000, -0.0014415900000000 ] - [ -0.0002984000000000, 0.0000847600000000, -0.0003327000000000 ] - [ 0.0010326800000000, 0.0024063900000000, 0.0025912100000000 ] - [ -0.0003048000000000, -0.0006840400000000, 0.0004718200000000 ] - [ -0.0001125700000000, -0.0000564500000000, 0.0010715000000000 ] - [ -0.0004588800000000, -0.0007754200000000, 0.0005162600000000 ] - [ -0.0002222300000000, -0.0001416000000000, 0.0001630000000000 ] - [ 0.0000812700000000, -0.0004475900000000, 0.0006353900000000 ] - [ 0.0003305000000000, 0.0005147000000000, -0.0000493700000000 ] - [ 0.0008046800000000, -0.0020533100000000, -0.0005068300000000 ] - [ -0.0003234600000000, -0.0002708300000000, -0.0005581600000000 ] - [ 0.0024989200000000, -0.0016238500000000, 0.0035413600000000 ] - [ 0.0000140900000000, -0.0009254600000000, 0.0001591400000000 ] - [ 0.0000609600000000, 0.0002127300000000, 0.0000991300000000 ] - [ 0.0013115800000000, 0.0024350100000000, 0.0000675000000000 ] - [ -0.0001599400000000, -0.0002493100000000, -0.0001619400000000 ] - [ 0.0002141100000000, 0.0007917200000000, 0.0006770900000000 ] - [ -0.0003149900000000, 0.0000577400000000, 0.0014375200000000 ] - [ 0.0001743700000000, -0.0006220000000000, -0.0000283800000000 ] - [ -0.0004465400000000, 0.0008314400000000, -0.0001132300000000 ] - [ 0.0012195400000000, -0.0001747700000000, -0.0031194500000000 ] - [ 0.0006918200000000, 0.0041310100000000, -0.0003195400000000 ] - [ 0.0003217100000000, 0.0043617900000000, -0.0037216100000000 ] - [ -0.0011537300000000, -0.0075310100000000, 0.0048867400000000 ] - [ 0.0002991900000000, 0.0002339000000000, 0.0006602100000000 ] - [ 0.0002400600000000, 0.0000432700000000, 0.0002339000000000 ] - [ -0.0001394300000000, 0.0011199000000000, -0.0010140900000000 ] - [ -0.0000415600000000, -0.0002374200000000, -0.0003198400000000 ] - [ -0.0005706000000000, -0.0006265100000000, 0.0002762500000000 ] - [ 0.0001292300000000, 0.0005866100000000, 0.0003571900000000 ] - [ 0.0005646400000000, -0.0006580500000000, 0.0002310800000000 ] - [ 0.0020109100000000, -0.0001090600000000, -0.0034622200000000 ] - [ -0.0008774400000000, -0.0005706000000000, -0.0002318600000000 ] - [ -0.0003828400000000, 0.0003261200000000, 0.0000108700000000 ] - [ -0.0025321500000000, -0.0026236500000000, 0.0029434100000000 ] - [ 0.0002804100000000, 0.0006959800000000, 0.0016620400000000 ] - [ -0.0020408900000000, 0.0015414100000000, 0.0036080600000000 ] - [ -0.0002779400000000, 0.0007371200000000, 0.0004286900000000 ] - [ 0.0000129500000000, -0.0000309600000000, 0.0006402000000000 ] - [ 0.0004593200000000, -0.0010086900000000, 0.0003426200000000 ] - [ 0.0001410900000000, 0.0015997700000000, -0.0011510400000000 ] - [ -0.0008747700000000, 0.0005906700000000, -0.0002329900000000 ] - [ -0.0004583000000000, -0.0013725700000000, -0.0016847500000000 ] - [ 0.0002964900000000, -0.0001952700000000, 0.0006478900000000 ] - [ 0.0001271500000000, -0.0001558300000000, -0.0001530600000000 ] - [ 0.0004043700000000, -0.0008328200000000, -0.0008003100000000 ] - [ -0.0003073100000000, 0.0003870000000000, -0.0003239600000000 ] - [ 0.0001261300000000, -0.0005577700000000, 0.0003508400000000 ] - [ -0.0008542100000000, 0.0017304000000000, -0.0001366400000000 ] - [ -0.0003272400000000, 0.0002914700000000, -0.0005586200000000 ] - [ 0.0015359400000000, -0.0011483400000000, 0.0039703900000000 ] - [ 0.0042262300000000, -0.0025661700000000, 0.0023298400000000 ] - [ -0.0003794200000000, -0.0003040300000000, 0.0000075000000000 ] - [ -0.0000724800000000, -0.0006901500000000, 0.0008312900000000 ] - [ -0.0000735200000000, -0.0000114800000000, -0.0005397100000000 ] - [ 0.0000455400000000, 0.0000061800000000, 0.0003239000000000 ] - [ 0.0006617000000000, -0.0005223200000000, -0.0000609400000000 ] - [ -0.0006190600000000, -0.0018674400000000, 0.0021696600000000 ] - [ 0.0002525600000000, -0.0003539200000000, 0.0000908300000000 ] - [ -0.0003192200000000, -0.0012356200000000, -0.0007128500000000 ] - [ 0.0000605400000000, -0.0000263800000000, 0.0002741500000000 ] - [ -0.0008894500000000, 0.0015259200000000, 0.0003670500000000 ] - [ -0.0003458300000000, -0.0008316100000000, -0.0002649400000000 ] - [ 0.0003748000000000, -0.0009003500000000, 0.0018451200000000 ] - [ 0.0003517300000000, 0.0007554800000000, -0.0007653300000000 ] - [ -0.0004582300000000, 0.0008109600000000, 0.0005036300000000 ] - [ -0.0002449500000000, -0.0004731900000000, -0.0028912500000000 ] - [ 0.0003288900000000, -0.0002401500000000, -0.0001462600000000 ] - [ 0.0000674200000000, -0.0002001400000000, 0.0001055200000000 ] - [ -0.0002395200000000, 0.0010047500000000, -0.0001160400000000 ] - [ -0.0002998400000000, 0.0002134000000000, 0.0006378900000000 ] - [ 0.0000020900000000, -0.0010027700000000, -0.0006712100000000 ] - [ -0.0003047900000000, -0.0003801300000000, -0.0003222300000000 ] - [ -0.0000076300000000, 0.0000183700000000, 0.0006375800000000 ] - [ 0.0001610300000000, -0.0014621700000000, -0.0010441800000000 ] - [ -0.0002111600000000, 0.0001668900000000, 0.0001617600000000 ] - [ 0.0008671400000000, 0.0005900500000000, -0.0002803300000000 ] - [ 0.0005650100000000, 0.0006842600000000, 0.0002329900000000 ] - [ 0.0004608100000000, 0.0010618300000000, 0.0003121300000000 ] - [ 0.0003316600000000, 0.0002561600000000, -0.0001441000000000 ] - [ 0.0000885800000000, -0.0014508600000000, -0.0020064600000000 ] - [ -0.0000584700000000, 0.0000022400000000, -0.0005293200000000 ] - [ -0.0001810300000000, 0.0002756300000000, -0.0001941400000000 ] - [ -0.0001152000000000, 0.0004622000000000, 0.0007705900000000 ] - [ -0.0002767500000000, 0.0011754100000000, -0.0015757200000000 ] - [ -0.0001098600000000, 0.0004506300000000, -0.0009457100000000 ] - [ 0.0002495700000000, -0.0053986000000000, -0.0006759700000000 ] - [ 0.0008659100000000, -0.0005678000000000, -0.0002791800000000 ] - [ -0.0013552000000000, -0.0007334300000000, -0.0020458300000000 ] - [ -0.0000463000000000, 0.0003210800000000, -0.0015248000000000 ] - [ -0.0001118600000000, -0.0004479700000000, 0.0002371600000000 ] - [ 0.0000639700000000, 0.0004474900000000, 0.0006024900000000 ] - [ -0.0001145700000000, 0.0004689500000000, 0.0002413800000000 ] - [ -0.0003195800000000, 0.0011247700000000, -0.0006447900000000 ] - [ -0.0003163400000000, -0.0000868500000000, 0.0014234700000000 ] - [ 0.0004475400000000, -0.0040035700000000, -0.0030603800000000 ] - [ 0.0001276300000000, 0.0008073600000000, -0.0001563700000000 ] - [ -0.0008254800000000, 0.0011195800000000, -0.0032846200000000 ] - [ -0.0005699700000000, 0.0006592000000000, 0.0002824800000000 ] - [ 0.0006605100000000, 0.0012024600000000, -0.0017495800000000 ] - [ 0.0001894800000000, 0.0007185600000000, -0.0002438200000000 ] - [ 0.0003152900000000, -0.0005141600000000, -0.0000237500000000 ] - [ -0.0005406900000000, -0.0002593000000000, 0.0005347400000000 ] - [ -0.0002093300000000, -0.0004525100000000, -0.0009082100000000 ] - [ 0.0003176000000000, 0.0002842700000000, -0.0007371300000000 ] - [ -0.0005968100000000, 0.0005507100000000, -0.0026342900000000 ] - [ -0.0002985000000000, -0.0001840800000000, 0.0006312900000000 ] - [ 0.0003144900000000, -0.0002656900000000, -0.0007407600000000 ] - [ 0.0000236300000000, -0.0003171300000000, -0.0015390100000000 ] - [ -0.0000541700000000, 0.0002387100000000, -0.0003010700000000 ] - [ 0.0004242700000000, 0.0000233400000000, 0.0002284400000000 ] - [ -0.0000988700000000, 0.0001440600000000, 0.0011032700000000 ] - [ 0.0001166300000000, 0.0001774900000000, -0.0001401600000000 ] - [ 0.0002550700000000, 0.0004011100000000, 0.0000850400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0051667900000000, -0.0101499200000000, 0.0322618900000000 ] - [ -0.0006952800000000, 0.0034398400000000, 0.0010441000000000 ] - [ -0.0006232600000000, 0.0006963000000000, 0.0001336700000000 ] - [ -0.0003734400000000, 0.0000738100000000, -0.0004272800000000 ] - [ 0.0000315800000000, -0.0000671200000000, -0.0001271800000000 ] - [ 0.0000492000000000, -0.0004398200000000, 0.0002019000000000 ] - [ -0.0001010700000000, -0.0005651900000000, 0.0004737300000000 ] - [ -0.0001538700000000, 0.0006110300000000, 0.0006025400000000 ] - [ -0.0003763600000000, -0.0000398400000000, -0.0004283700000000 ] - [ 0.0003512800000000, -0.0052243100000000, 0.0015010500000000 ] - [ -0.0006194300000000, -0.0006708000000000, 0.0001398200000000 ] - [ -0.0003536600000000, -0.0009514300000000, -0.0012201500000000 ] - [ 0.0004976600000000, 0.0050104300000000, 0.0014304300000000 ] - [ 0.0001949400000000, 0.0005850700000000, 0.0003740100000000 ] - [ -0.0000238700000000, 0.0001088400000000, 0.0001118400000000 ] - [ 0.0005408000000000, -0.0001467500000000, 0.0096707500000000 ] - [ 0.0003623900000000, -0.0000291000000000, -0.0005572000000000 ] - [ 0.0006741700000000, -0.0006084600000000, -0.0001204500000000 ] - [ -0.0003928000000000, 0.0014274000000000, -0.0013796700000000 ] - [ -0.0002712100000000, -0.0000474200000000, -0.0027405100000000 ] - [ -0.0004369400000000, -0.0025313200000000, 0.0013121800000000 ] - [ 0.0001509500000000, -0.0005168700000000, 0.0003842100000000 ] - [ -0.0001311200000000, -0.0006123800000000, 0.0006143700000000 ] - [ -0.0000446400000000, 0.0005555300000000, 0.0004857100000000 ] - [ -0.0002059100000000, 0.0000243400000000, -0.0025934200000000 ] - [ 0.0006723700000000, 0.0006257900000000, -0.0001151700000000 ] - [ -0.0005075400000000, -0.0017149000000000, -0.0016952700000000 ] - [ -0.0000356100000000, -0.0000621600000000, 0.0001110600000000 ] - [ 0.0000256300000000, 0.0000856300000000, -0.0001373200000000 ] - [ 0.0000522900000000, 0.0005324600000000, 0.0001462200000000 ] - [ -0.0002596200000000, 0.0011169400000000, -0.0013773500000000 ] - [ 0.0003609800000000, 0.0000552300000000, -0.0005556800000000 ] - [ -0.0053141600000000, -0.0046036800000000, -0.0199085600000000 ] - [ 0.0008400700000000, -0.0009225000000000, -0.0008203600000000 ] - [ 0.0002991200000000, 0.0001299800000000, -0.0003434900000000 ] - [ 0.0003399700000000, 0.0017869400000000, 0.0016340500000000 ] - [ 0.0001538700000000, -0.0004675600000000, -0.0008395700000000 ] - [ 0.0003052700000000, -0.0000660400000000, -0.0003414800000000 ] - [ 0.0021187900000000, -0.0052394800000000, 0.0018503100000000 ] - [ 0.0065311700000000, 0.0129353600000000, 0.0007475100000000 ] - [ 0.0010245500000000, 0.0032740200000000, -0.0030118000000000 ] - [ -0.0005487900000000, 0.0002119200000000, -0.0006401300000000 ] - [ -0.0063125200000000, -0.0128177800000000, 0.0022901100000000 ] - [ 0.0004164100000000, -0.0002312500000000, -0.0005051100000000 ] - [ 0.0001649000000000, 0.0005386900000000, -0.0008200400000000 ] - [ -0.0003418800000000, -0.0017026800000000, 0.0012870800000000 ] - [ -0.0009678800000000, 0.0008543500000000, -0.0013373500000000 ] - [ 0.0049722900000000, 0.0028048300000000, -0.0143451600000000 ] - [ -0.0003314100000000, 0.0000284800000000, -0.0005216800000000 ] - [ 0.0005703000000000, -0.0014699500000000, 0.0014900900000000 ] - [ -0.0030880600000000, 0.0026455600000000, -0.0116396300000000 ] - [ 0.0008600300000000, 0.0008619700000000, -0.0008366000000000 ] - [ 0.0001569700000000, 0.0013654000000000, -0.0033281800000000 ] - [ 0.0028075200000000, -0.0009834900000000, -0.0110055900000000 ] - [ -0.0005586200000000, -0.0001771800000000, -0.0006405100000000 ] - [ -0.0001987500000000, 0.0007662200000000, -0.0008766200000000 ] - [ 0.0004449000000000, 0.0003613800000000, -0.0005481200000000 ] - [ -0.0022480300000000, 0.0041660000000000, 0.0005728400000000 ] - [ -0.0001907900000000, -0.0007137900000000, -0.0008855100000000 ] - [ 0.0012075500000000, -0.0029515600000000, -0.0028519100000000 ] - [ -0.0000133600000000, -0.0014936600000000, -0.0035109800000000 ] - [ -0.0009444900000000, -0.0008707600000000, -0.0012490000000000 ] - [ -0.0005727400000000, 0.0017199900000000, 0.0015143100000000 ] - [ -0.0003233200000000, 0.0000414600000000, -0.0005252900000000 ] - [ -0.0004643800000000, -0.0035151500000000, -0.0020513700000000 ] - [ -0.0002492600000000, -0.0004594300000000, 0.0000522200000000 ] - [ -0.0000660100000000, -0.0006404100000000, 0.0006854100000000 ] - [ -0.0004573700000000, -0.0010253700000000, 0.0003497000000000 ] - [ -0.0000817200000000, 0.0002012100000000, 0.0001108600000000 ] - [ 0.0000948800000000, -0.0002452200000000, 0.0011135300000000 ] - [ 0.0002935700000000, 0.0003340400000000, -0.0003228100000000 ] - [ -0.0017363300000000, 0.0038900300000000, 0.0013659300000000 ] - [ -0.0003189400000000, -0.0002855300000000, -0.0007314800000000 ] - [ -0.0017417500000000, 0.0010269800000000, -0.0036658600000000 ] - [ 0.0002918200000000, 0.0008687600000000, 0.0001022600000000 ] - [ 0.0002430800000000, -0.0001528100000000, 0.0001763300000000 ] - [ -0.0018634500000000, -0.0020709500000000, 0.0011618500000000 ] - [ -0.0000939600000000, -0.0001635100000000, -0.0001201800000000 ] - [ -0.0008272600000000, -0.0016450500000000, -0.0010478700000000 ] - [ 0.0003134900000000, -0.0000610000000000, 0.0005185100000000 ] - [ 0.0000167900000000, -0.0000900500000000, -0.0002401500000000 ] - [ 0.0001403400000000, -0.0008843600000000, 0.0003919500000000 ] - [ 0.0005361800000000, 0.0013365900000000, 0.0026050300000000 ] - [ 0.0004376900000000, -0.0027835000000000, 0.0008459900000000 ] - [ 0.0005884700000000, -0.0025540200000000, 0.0045842200000000 ] - [ 0.0017395500000000, 0.0080481700000000, -0.0052654600000000 ] - [ 0.0002982200000000, 0.0001714700000000, 0.0006253900000000 ] - [ -0.0002371800000000, -0.0000474200000000, -0.0006191300000000 ] - [ -0.0001156900000000, -0.0006987500000000, 0.0007323100000000 ] - [ -0.0001488000000000, -0.0004632300000000, 0.0000579300000000 ] - [ -0.0005615200000000, -0.0006962700000000, 0.0002375700000000 ] - [ 0.0001191100000000, 0.0004502300000000, 0.0002325800000000 ] - [ 0.0005675400000000, -0.0006638800000000, 0.0002817200000000 ] - [ -0.0002665900000000, -0.0010564000000000, 0.0029723400000000 ] - [ -0.0008653500000000, -0.0005893400000000, -0.0002782300000000 ] - [ -0.0003366100000000, 0.0002457100000000, -0.0001545300000000 ] - [ 0.0023785800000000, 0.0017007000000000, -0.0024538500000000 ] - [ -0.0001044300000000, -0.0000028300000000, 0.0000970300000000 ] - [ 0.0017608800000000, -0.0004715800000000, -0.0030112500000000 ] - [ -0.0002761400000000, 0.0004083700000000, 0.0000953600000000 ] - [ -0.0000128500000000, 0.0000337100000000, 0.0013095900000000 ] - [ 0.0004566200000000, -0.0007940700000000, 0.0005209500000000 ] - [ 0.0000499500000000, -0.0008887200000000, 0.0008853800000000 ] - [ -0.0008681600000000, 0.0005702300000000, -0.0002772200000000 ] - [ -0.0006725400000000, 0.0027180900000000, 0.0022080200000000 ] - [ 0.0003008300000000, -0.0002088600000000, 0.0006372700000000 ] - [ 0.0001250300000000, -0.0002567700000000, -0.0001252100000000 ] - [ 0.0002177900000000, -0.0000125600000000, 0.0004273000000000 ] - [ -0.0003163300000000, 0.0004668500000000, -0.0000498600000000 ] - [ 0.0001223000000000, -0.0004779900000000, 0.0002387300000000 ] - [ 0.0013553100000000, -0.0011188300000000, -0.0011015500000000 ] - [ -0.0003153500000000, 0.0002652800000000, -0.0007303300000000 ] - [ -0.0023097400000000, 0.0007175700000000, -0.0028178600000000 ] - [ -0.0033011900000000, 0.0019323400000000, -0.0034644200000000 ] - [ -0.0003399700000000, -0.0002670200000000, -0.0001515200000000 ] - [ -0.0001202100000000, 0.0014002300000000, -0.0010996400000000 ] - [ 0.0000730500000000, 0.0000138100000000, 0.0001531100000000 ] - [ -0.0002219800000000, 0.0006923000000000, 0.0014236400000000 ] - [ -0.0004215600000000, 0.0009356700000000, -0.0002360800000000 ] - [ 0.0011485000000000, 0.0029835000000000, -0.0016464700000000 ] - [ 0.0003013400000000, -0.0007848600000000, 0.0004342900000000 ] - [ -0.0002349800000000, 0.0000809400000000, 0.0012307200000000 ] - [ -0.0002368300000000, -0.0006710300000000, 0.0014715600000000 ] - [ -0.0000231000000000, -0.0033639300000000, 0.0004816300000000 ] - [ 0.0000397900000000, 0.0008829400000000, 0.0005417600000000 ] - [ -0.0001955800000000, 0.0002019500000000, -0.0000799900000000 ] - [ 0.0002715400000000, 0.0000914900000000, 0.0003897900000000 ] - [ -0.0004580200000000, 0.0009906500000000, 0.0003619900000000 ] - [ -0.0003994800000000, -0.0000840000000000, 0.0016088000000000 ] - [ 0.0003903400000000, -0.0003296700000000, 0.0000028700000000 ] - [ 0.0002369900000000, 0.0001402400000000, 0.0001702100000000 ] - [ 0.0005461300000000, -0.0009382200000000, 0.0003730500000000 ] - [ -0.0002975400000000, 0.0001927100000000, 0.0006488300000000 ] - [ -0.0002537200000000, 0.0005835300000000, 0.0003942800000000 ] - [ -0.0003187300000000, -0.0004726900000000, -0.0000511800000000 ] - [ 0.0000076400000000, -0.0000202600000000, 0.0013116200000000 ] - [ 0.0000303700000000, 0.0007492700000000, 0.0007768200000000 ] - [ -0.0000934500000000, -0.0002245200000000, 0.0001127000000000 ] - [ 0.0008756600000000, 0.0005709000000000, -0.0002306100000000 ] - [ 0.0005671700000000, 0.0006387500000000, 0.0002800500000000 ] - [ 0.0004551500000000, 0.0007431000000000, 0.0005504300000000 ] - [ 0.0003876200000000, 0.0003141800000000, 0.0000004400000000 ] - [ 0.0005050100000000, 0.0018460900000000, 0.0032887800000000 ] - [ 0.0000582800000000, -0.0000040500000000, 0.0001418300000000 ] - [ -0.0000732400000000, 0.0001383200000000, -0.0000884200000000 ] - [ -0.0000745800000000, -0.0011664900000000, -0.0010338600000000 ] - [ -0.0008581500000000, -0.0025166000000000, 0.0020923200000000 ] - [ 0.0003601100000000, 0.0005902400000000, 0.0015378700000000 ] - [ 0.0008877700000000, 0.0040524900000000, 0.0012070900000000 ] - [ 0.0008770300000000, -0.0005930200000000, -0.0002320500000000 ] - [ -0.0003783100000000, -0.0004308800000000, 0.0015439500000000 ] - [ -0.0006740400000000, 0.0002541500000000, 0.0013829600000000 ] - [ -0.0001364500000000, -0.0005868800000000, 0.0003521500000000 ] - [ 0.0001124200000000, 0.0002467900000000, 0.0011455200000000 ] - [ -0.0001336000000000, 0.0005664300000000, 0.0003477500000000 ] - [ -0.0002343900000000, 0.0000287000000000, 0.0011648800000000 ] - [ 0.0003137800000000, 0.0000880400000000, 0.0005318600000000 ] - [ 0.0004729500000000, 0.0021834200000000, 0.0039124200000000 ] - [ 0.0000627300000000, -0.0000919800000000, -0.0001139000000000 ] - [ -0.0009186700000000, 0.0000307700000000, 0.0027976400000000 ] - [ -0.0005623900000000, 0.0006645200000000, 0.0002316400000000 ] - [ -0.0000570600000000, -0.0016015100000000, 0.0030339200000000 ] - [ 0.0000627000000000, -0.0011258700000000, -0.0000622400000000 ] - [ 0.0003084300000000, -0.0003350300000000, -0.0003468500000000 ] - [ -0.0000904600000000, 0.0011129300000000, -0.0009039400000000 ] - [ 0.0004575100000000, -0.0005890400000000, 0.0014989700000000 ] - [ 0.0003252300000000, 0.0002730500000000, -0.0005542600000000 ] - [ -0.0000412100000000, 0.0000017700000000, 0.0013472400000000 ] - [ -0.0002990200000000, -0.0002214600000000, 0.0006550900000000 ] - [ 0.0003281700000000, -0.0002905900000000, -0.0005508100000000 ] - [ -0.0007440400000000, -0.0002591900000000, 0.0013969500000000 ] - [ -0.0001362800000000, 0.0004628000000000, 0.0000381600000000 ] - [ -0.0004156200000000, -0.0000199900000000, -0.0006122800000000 ] - [ -0.0000787300000000, 0.0005532900000000, 0.0006532200000000 ] - [ 0.0001355000000000, 0.0002355100000000, -0.0001382100000000 ] - [ 0.0002991300000000, 0.0007388600000000, 0.0004387900000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0037373900000000, -0.0004552600000000, 0.0008467000000000 ] - [ -0.1153177700000000, -0.0628060800000000, -0.0243280900000000 ] - [ -0.0007477400000000, 0.0007655600000000, 0.0000784600000000 ] - [ -0.0003314700000000, 0.0002063200000000, -0.0004698600000000 ] - [ 0.0000129100000000, 0.0000317900000000, -0.0000412000000000 ] - [ -0.0007097800000000, -0.0000709500000000, 0.0006677700000000 ] - [ 0.0003026400000000, -0.0000890600000000, 0.0008333100000000 ] - [ -0.0009737100000000, -0.0002217200000000, 0.0007612600000000 ] - [ -0.0003960200000000, 0.0000835400000000, -0.0004656600000000 ] - [ 0.0014565600000000, 0.0012177700000000, 0.0002002900000000 ] - [ -0.0006589000000000, -0.0005087200000000, 0.0000184900000000 ] - [ -0.0002941600000000, -0.0003592000000000, 0.0001783700000000 ] - [ 0.0193555900000000, -0.0049741100000000, -0.0015653500000000 ] - [ 0.0015588400000000, 0.0001405000000000, 0.0000607200000000 ] - [ 0.0004600700000000, 0.0007802200000000, 0.0000559900000000 ] - [ -0.0029167900000000, 0.0023553100000000, -0.0001936400000000 ] - [ 0.0003868300000000, 0.0000754800000000, -0.0005207200000000 ] - [ 0.0006590500000000, -0.0005409600000000, 0.0000126700000000 ] - [ -0.0006741600000000, 0.0007686800000000, -0.0000163200000000 ] - [ 0.0002102700000000, 0.0001587000000000, -0.0002399100000000 ] - [ -0.0003573800000000, 0.0001298200000000, -0.0000171400000000 ] - [ -0.0000402800000000, 0.0001355300000000, 0.0003156400000000 ] - [ 0.0000296100000000, 0.0001285200000000, 0.0005694100000000 ] - [ -0.0000242800000000, 0.0001259000000000, 0.0005355100000000 ] - [ -0.0010695900000000, -0.0000709300000000, -0.0003551300000000 ] - [ 0.0006723100000000, 0.0006856300000000, -0.0000220800000000 ] - [ -0.0003130400000000, -0.0009190300000000, 0.0001542600000000 ] - [ -0.0000365100000000, 0.0001734900000000, -0.0000072400000000 ] - [ 0.0000329000000000, 0.0001304600000000, -0.0000160600000000 ] - [ 0.0000252600000000, 0.0001146100000000, 0.0002829000000000 ] - [ -0.0000285700000000, 0.0000882700000000, -0.0000292800000000 ] - [ 0.0003467800000000, 0.0001696800000000, -0.0005186400000000 ] - [ 0.0029105000000000, -0.0118269300000000, -0.0062440300000000 ] - [ 0.0005514200000000, -0.0018585000000000, 0.0000323300000000 ] - [ 0.0002777800000000, 0.0003805600000000, -0.0004526200000000 ] - [ -0.0025964700000000, 0.0192432900000000, 0.0065989900000000 ] - [ 0.0001635000000000, -0.0003687800000000, -0.0009086800000000 ] - [ 0.0003957900000000, 0.0003770000000000, -0.0004871900000000 ] - [ -0.0013929500000000, -0.0026284400000000, 0.0040888900000000 ] - [ -0.0004377500000000, 0.0006316800000000, -0.0006645600000000 ] - [ 0.0010410300000000, 0.0043069100000000, -0.0081238300000000 ] - [ -0.0004288300000000, 0.0000332100000000, -0.0006764200000000 ] - [ 0.0045182500000000, 0.0011860700000000, -0.0075446900000000 ] - [ 0.0006170100000000, -0.0002751500000000, -0.0007526300000000 ] - [ 0.0001396500000000, 0.0010001200000000, -0.0006337600000000 ] - [ 0.0018907600000000, -0.0097446000000000, 0.0001086700000000 ] - [ -0.0007987900000000, 0.0008685700000000, -0.0006671800000000 ] - [ 0.0044222200000000, 0.0199932900000000, 0.0071462600000000 ] - [ -0.0003383100000000, 0.0001763900000000, -0.0003591800000000 ] - [ 0.0007924100000000, -0.0004775300000000, -0.0000028600000000 ] - [ 0.0002901500000000, 0.0003965500000000, -0.0014878500000000 ] - [ 0.0007719600000000, 0.0010824900000000, 0.0000247200000000 ] - [ 0.0017064200000000, -0.0035644600000000, 0.0036681300000000 ] - [ -0.0000305900000000, -0.0006427500000000, -0.0002854200000000 ] - [ -0.0004881600000000, 0.0002545900000000, -0.0006090800000000 ] - [ -0.0002200100000000, 0.0008486700000000, -0.0009713100000000 ] - [ 0.0004864400000000, 0.0002472500000000, -0.0005984600000000 ] - [ -0.0003260000000000, 0.0003472900000000, -0.0005325600000000 ] - [ -0.0001544300000000, -0.0003460100000000, -0.0009327700000000 ] - [ 0.0004541700000000, 0.0006213500000000, -0.0003675400000000 ] - [ -0.0000850200000000, 0.0003376800000000, -0.0012624100000000 ] - [ -0.0007506400000000, -0.0006424900000000, 0.0001230200000000 ] - [ -0.0007475300000000, 0.0011830400000000, 0.0000331800000000 ] - [ -0.0003137400000000, 0.0002029200000000, -0.0004540400000000 ] - [ 0.0003045600000000, -0.0006917400000000, 0.0002194700000000 ] - [ -0.0000755100000000, -0.0009560000000000, -0.0000347000000000 ] - [ -0.0007241400000000, -0.0035346500000000, 0.0019414100000000 ] - [ -0.0004487400000000, -0.0010700100000000, 0.0003963700000000 ] - [ -0.0002916700000000, -0.0000427300000000, 0.0001506300000000 ] - [ 0.0000313900000000, -0.0003065800000000, 0.0007283600000000 ] - [ 0.0003113200000000, 0.0006135400000000, -0.0000525400000000 ] - [ -0.0005718000000000, 0.0020962500000000, -0.0005823500000000 ] - [ -0.0003431900000000, -0.0004028000000000, -0.0006683500000000 ] - [ 0.0006160700000000, 0.0000011600000000, -0.0001939100000000 ] - [ -0.0004076800000000, 0.0002505600000000, -0.0000122400000000 ] - [ 0.0002616700000000, -0.0000365200000000, 0.0001854000000000 ] - [ -0.0000359500000000, 0.0001741200000000, 0.0006688800000000 ] - [ 0.0000678700000000, -0.0002652100000000, -0.0000535300000000 ] - [ 0.0480422900000000, 0.0275996100000000, 0.0116801000000000 ] - [ 0.0044100300000000, 0.0005175100000000, 0.0008094300000000 ] - [ -0.0001070800000000, 0.0010181500000000, 0.0003753200000000 ] - [ 0.0017483200000000, -0.0006733600000000, -0.0006658400000000 ] - [ 0.0052056500000000, -0.0005447800000000, -0.0004351900000000 ] - [ 0.0477310600000000, 0.0195771800000000, 0.0151628300000000 ] - [ 0.0002083700000000, 0.0008119700000000, 0.0010037300000000 ] - [ -0.0029880800000000, -0.0002444700000000, -0.0000677000000000 ] - [ 0.0002961500000000, 0.0000159700000000, 0.0005463700000000 ] - [ -0.0046136700000000, -0.0011460600000000, -0.0011339000000000 ] - [ -0.0025862400000000, -0.0000966500000000, 0.0015273200000000 ] - [ -0.0000696600000000, -0.0001524000000000, -0.0000017000000000 ] - [ -0.0005012800000000, -0.0009858200000000, 0.0003243200000000 ] - [ 0.0001061700000000, 0.0004157000000000, 0.0002685400000000 ] - [ 0.0005682100000000, -0.0007365600000000, 0.0002540400000000 ] - [ -0.0071276600000000, -0.0020851300000000, -0.0005577000000000 ] - [ -0.0008270700000000, -0.0007010900000000, -0.0002517000000000 ] - [ -0.0003417300000000, 0.0001970400000000, -0.0000821600000000 ] - [ -0.0004271900000000, 0.0000358900000000, 0.0000822600000000 ] - [ -0.0018319300000000, 0.0025696000000000, 0.0005685100000000 ] - [ 0.0012638600000000, 0.0008714600000000, -0.0020860200000000 ] - [ -0.0002759800000000, 0.0003649100000000, 0.0003446400000000 ] - [ -0.0002752000000000, 0.0001466000000000, 0.0009780700000000 ] - [ 0.0004422500000000, -0.0008983700000000, 0.0005033500000000 ] - [ 0.0002672500000000, -0.0006197600000000, 0.0004672000000000 ] - [ -0.0009020400000000, 0.0004712400000000, -0.0002408700000000 ] - [ -0.0006261700000000, 0.0008544500000000, 0.0005620700000000 ] - [ 0.0003056800000000, -0.0003127200000000, 0.0006517700000000 ] - [ -0.0001840600000000, -0.0001631200000000, 0.0001667600000000 ] - [ 0.0003252300000000, -0.0001676200000000, 0.0000753600000000 ] - [ -0.0002993100000000, 0.0004682600000000, -0.0001466800000000 ] - [ 0.0001970600000000, -0.0006231300000000, 0.0002693500000000 ] - [ -0.0009943200000000, -0.0033408200000000, 0.0006815500000000 ] - [ -0.0003175700000000, 0.0001906600000000, -0.0006567300000000 ] - [ -0.0008143800000000, -0.0013182800000000, 0.0016488900000000 ] - [ 0.0004735600000000, 0.0015655200000000, 0.0002716600000000 ] - [ -0.0004189600000000, -0.0004455900000000, -0.0002067100000000 ] - [ 0.0008473000000000, -0.0004285000000000, -0.0036180400000000 ] - [ 0.0002939300000000, 0.0000769500000000, -0.0000604000000000 ] - [ -0.0000224100000000, 0.0005327800000000, 0.0006739400000000 ] - [ 0.0011515700000000, 0.0009004300000000, -0.0004333900000000 ] - [ -0.0015068700000000, 0.0034876300000000, 0.0017126800000000 ] - [ 0.0002866200000000, -0.0007472900000000, 0.0003184900000000 ] - [ -0.0002646500000000, -0.0005708300000000, 0.0003614500000000 ] - [ -0.0001110800000000, -0.0004205200000000, 0.0009137100000000 ] - [ -0.0004285800000000, -0.0012227300000000, 0.0004522600000000 ] - [ -0.0002778300000000, -0.0000983600000000, 0.0001979800000000 ] - [ 0.0001098800000000, -0.0004079600000000, 0.0008683300000000 ] - [ 0.0002906100000000, 0.0003183000000000, -0.0001910300000000 ] - [ -0.0004637900000000, 0.0006997200000000, 0.0005222500000000 ] - [ -0.0002342500000000, -0.0001520600000000, -0.0008996200000000 ] - [ 0.0003898300000000, -0.0003654700000000, -0.0000079100000000 ] - [ 0.0001213500000000, -0.0001391500000000, 0.0001154900000000 ] - [ 0.0001972600000000, -0.0000775400000000, 0.0001525600000000 ] - [ -0.0002972000000000, 0.0000621200000000, 0.0006679400000000 ] - [ -0.0000286300000000, -0.0003449700000000, -0.0001862000000000 ] - [ -0.0003171200000000, -0.0005329800000000, -0.0002006500000000 ] - [ 0.0000333600000000, -0.0000543400000000, 0.0009792900000000 ] - [ 0.0001150900000000, -0.0005854900000000, -0.0002162900000000 ] - [ -0.0001261700000000, -0.0001292800000000, 0.0001202000000000 ] - [ 0.0009036600000000, 0.0005250200000000, -0.0002570600000000 ] - [ 0.0005622400000000, 0.0005650700000000, 0.0002419700000000 ] - [ 0.0004634100000000, 0.0007261000000000, 0.0004983100000000 ] - [ 0.0003511900000000, 0.0002049800000000, -0.0000640500000000 ] - [ 0.0000605500000000, 0.0015909300000000, 0.0010581000000000 ] - [ -0.0000351800000000, -0.0000559900000000, -0.0002020100000000 ] - [ -0.0001267200000000, 0.0001334600000000, -0.0001483200000000 ] - [ -0.0001275800000000, -0.0005194100000000, -0.0001161400000000 ] - [ -0.0005648500000000, -0.0007049700000000, 0.0002734400000000 ] - [ -0.0007035300000000, 0.0009112400000000, 0.0000140400000000 ] - [ 0.0002178800000000, 0.0008934600000000, 0.0009589300000000 ] - [ 0.0008425400000000, -0.0006380500000000, -0.0002616200000000 ] - [ -0.0005783600000000, -0.0005634100000000, -0.0001109900000000 ] - [ 0.0003006000000000, 0.0006265600000000, -0.0004617500000000 ] - [ -0.0001538000000000, -0.0006218900000000, 0.0003570200000000 ] - [ 0.0000834400000000, 0.0002617300000000, 0.0008851300000000 ] - [ -0.0001179700000000, 0.0004251800000000, 0.0002843700000000 ] - [ -0.0003856400000000, 0.0019425900000000, -0.0007436400000000 ] - [ -0.0000492200000000, -0.0000930800000000, 0.0009831400000000 ] - [ 0.0003648500000000, -0.0015963400000000, -0.0000652400000000 ] - [ 0.0000856500000000, 0.0002243500000000, -0.0000968200000000 ] - [ -0.0012059500000000, 0.0006179500000000, -0.0001803200000000 ] - [ -0.0005606200000000, 0.0005267400000000, 0.0002374400000000 ] - [ -0.0001225100000000, -0.0009978000000000, -0.0037548600000000 ] - [ 0.0000763300000000, -0.0002677300000000, -0.0001408200000000 ] - [ 0.0003166600000000, -0.0005512500000000, -0.0002053800000000 ] - [ -0.0002590100000000, 0.0000231800000000, -0.0001052000000000 ] - [ 0.0003616600000000, -0.0007246100000000, 0.0003821400000000 ] - [ 0.0003200400000000, 0.0002258500000000, -0.0005994000000000 ] - [ -0.0003142300000000, 0.0002547600000000, -0.0007528700000000 ] - [ -0.0003068800000000, -0.0003600500000000, 0.0007048800000000 ] - [ 0.0003339400000000, -0.0003486800000000, -0.0006258000000000 ] - [ -0.0005578400000000, -0.0003380300000000, 0.0000711400000000 ] - [ -0.0000798600000000, 0.0002329100000000, -0.0001145000000000 ] - [ 0.0000789100000000, -0.0000846900000000, -0.0001757600000000 ] - [ -0.0000715300000000, 0.0001985600000000, 0.0008540100000000 ] - [ 0.0001336200000000, 0.0001241900000000, -0.0001524700000000 ] - [ 0.0002730300000000, 0.0003722800000000, 0.0003339700000000 ]- atom: 2 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0030015700000000, 0.0003737900000000, -0.0018390800000000 ] - [ 0.1162304300000000, 0.0615655400000000, 0.0241995900000000 ] - [ -0.0005445000000000, 0.0005255600000000, -0.0000513300000000 ] - [ -0.0004066400000000, -0.0001074800000000, -0.0005144000000000 ] - [ 0.0000659700000000, -0.0000574800000000, 0.0000259400000000 ] - [ 0.0007072900000000, 0.0000723700000000, -0.0000579800000000 ] - [ -0.0003019100000000, 0.0000896200000000, 0.0002730100000000 ] - [ 0.0009593800000000, 0.0002507000000000, 0.0003482500000000 ] - [ -0.0003420800000000, -0.0001829900000000, -0.0005184200000000 ] - [ -0.0001651500000000, 0.0000768800000000, -0.0001750000000000 ] - [ -0.0006323800000000, -0.0007830700000000, 0.0000065900000000 ] - [ 0.0002144600000000, 0.0003855100000000, -0.0001932100000000 ] - [ -0.0192517000000000, 0.0049859300000000, 0.0015609300000000 ] - [ -0.0015508700000000, -0.0001528400000000, 0.0005605200000000 ] - [ -0.0005379300000000, -0.0008077600000000, -0.0000704000000000 ] - [ 0.0036522900000000, -0.0022810200000000, -0.0007998800000000 ] - [ 0.0003510400000000, -0.0001743500000000, -0.0004638300000000 ] - [ 0.0006320900000000, -0.0007513500000000, 0.0000120100000000 ] - [ -0.0006170500000000, 0.0005232200000000, 0.0000406600000000 ] - [ -0.0009484300000000, -0.0000599400000000, -0.0007440700000000 ] - [ 0.0004363400000000, -0.0001542300000000, 0.0000020200000000 ] - [ 0.0000409500000000, -0.0001356400000000, 0.0002960400000000 ] - [ -0.0000298600000000, -0.0001285000000000, 0.0005373500000000 ] - [ 0.0000241500000000, -0.0001257600000000, 0.0005713000000000 ] - [ 0.0003321900000000, -0.0000291200000000, -0.0006303600000000 ] - [ 0.0006189600000000, 0.0006072000000000, 0.0000464300000000 ] - [ -0.0009772900000000, -0.0003737700000000, -0.0001298800000000 ] - [ -0.0000423400000000, -0.0001469100000000, -0.0000072800000000 ] - [ 0.0000462300000000, -0.0001043100000000, 0.0000012900000000 ] - [ -0.0000249500000000, -0.0001145500000000, 0.0003276900000000 ] - [ -0.0000505100000000, -0.0001147100000000, 0.0000144200000000 ] - [ 0.0003914400000000, -0.0000702400000000, -0.0004657300000000 ] - [ -0.0035301200000000, 0.0117456800000000, 0.0054354300000000 ] - [ 0.0009399900000000, -0.0000024200000000, 0.0000563300000000 ] - [ 0.0003438000000000, -0.0002531900000000, -0.0004063400000000 ] - [ 0.0040664100000000, -0.0174158000000000, -0.0065323900000000 ] - [ 0.0001910300000000, -0.0008483000000000, -0.0008176200000000 ] - [ 0.0002260600000000, -0.0005038500000000, -0.0003721500000000 ] - [ 0.0004640800000000, 0.0026265900000000, -0.0052022800000000 ] - [ 0.0000852200000000, 0.0005861900000000, -0.0010633700000000 ] - [ -0.0000038500000000, -0.0043353200000000, 0.0070276400000000 ] - [ -0.0005322000000000, -0.0000301100000000, -0.0004376300000000 ] - [ -0.0049379600000000, -0.0023567500000000, 0.0057465900000000 ] - [ 0.0003399700000000, 0.0002755700000000, -0.0003629000000000 ] - [ 0.0002148700000000, 0.0002175200000000, -0.0010923200000000 ] - [ -0.0033762300000000, 0.0078153500000000, -0.0000478300000000 ] - [ -0.0006948700000000, 0.0009927200000000, 0.0007524100000000 ] - [ -0.0049932200000000, -0.0198210000000000, -0.0079689400000000 ] - [ -0.0002833400000000, -0.0003032800000000, -0.0005011900000000 ] - [ 0.0007026400000000, -0.0013810100000000, 0.0000908000000000 ] - [ 0.0003318000000000, -0.0002705200000000, 0.0006260000000000 ] - [ 0.0007227400000000, 0.0007763000000000, 0.0000635000000000 ] - [ -0.0013666100000000, 0.0023507100000000, -0.0053817800000000 ] - [ 0.0006533900000000, 0.0005159800000000, -0.0005747100000000 ] - [ -0.0004674400000000, -0.0002571100000000, -0.0005041100000000 ] - [ -0.0001334300000000, 0.0003698800000000, -0.0007550700000000 ] - [ 0.0004692000000000, -0.0002497600000000, -0.0005145600000000 ] - [ -0.0006306100000000, -0.0003440500000000, -0.0005809500000000 ] - [ -0.0002000600000000, -0.0008710300000000, -0.0007937300000000 ] - [ 0.0005018800000000, -0.0006180400000000, -0.0007440800000000 ] - [ 0.0004392900000000, 0.0008768300000000, -0.0004636500000000 ] - [ -0.0007440900000000, -0.0012167400000000, -0.0000348800000000 ] - [ -0.0007473600000000, 0.0006765600000000, 0.0000550100000000 ] - [ -0.0003081500000000, -0.0000761500000000, -0.0004061000000000 ] - [ 0.0002497900000000, -0.0004511500000000, 0.0003045600000000 ] - [ -0.0004799100000000, -0.0001823100000000, 0.0005618800000000 ] - [ 0.0005431400000000, 0.0028346800000000, -0.0001743900000000 ] - [ -0.0004664500000000, -0.0007333700000000, 0.0004674500000000 ] - [ -0.0000142500000000, 0.0001019800000000, 0.0001255100000000 ] - [ 0.0001453500000000, -0.0003893100000000, 0.0010237000000000 ] - [ 0.0003124900000000, 0.0002435000000000, -0.0003170300000000 ] - [ -0.0003449000000000, -0.0002941300000000, 0.0014486700000000 ] - [ -0.0002993400000000, -0.0001540700000000, -0.0006229400000000 ] - [ 0.0001030800000000, -0.0005731100000000, 0.0000521400000000 ] - [ 0.0007136400000000, -0.0003107200000000, 0.0002871000000000 ] - [ 0.0000469900000000, 0.0000925800000000, 0.0000895100000000 ] - [ -0.0005637900000000, 0.0002321300000000, 0.0006179400000000 ] - [ -0.0003193300000000, -0.0001474400000000, -0.0002251400000000 ] - [ -0.0503939400000000, -0.0302532700000000, -0.0128406300000000 ] - [ -0.0043925200000000, -0.0005057400000000, 0.0011453300000000 ] - [ 0.0002956300000000, -0.0017167100000000, -0.0006378100000000 ] - [ -0.0020776600000000, 0.0006207500000000, 0.0009685200000000 ] - [ -0.0034652800000000, 0.0016989700000000, -0.0000816100000000 ] - [ -0.0445775900000000, -0.0166949100000000, -0.0136472700000000 ] - [ 0.0007242900000000, 0.0010553100000000, -0.0000977200000000 ] - [ 0.0037223500000000, 0.0008140600000000, -0.0000291300000000 ] - [ 0.0003012600000000, 0.0003895700000000, 0.0007403100000000 ] - [ 0.0045721200000000, 0.0011374100000000, 0.0007423700000000 ] - [ 0.0023186600000000, 0.0005060800000000, -0.0018426600000000 ] - [ -0.0001185600000000, -0.0005526400000000, -0.0002639500000000 ] - [ -0.0006310300000000, -0.0003373800000000, 0.0001888300000000 ] - [ 0.0001413900000000, 0.0006203100000000, 0.0003207000000000 ] - [ 0.0005640200000000, -0.0005865900000000, 0.0002596000000000 ] - [ 0.0089163200000000, 0.0009236500000000, 0.0000407400000000 ] - [ -0.0009155400000000, -0.0004590900000000, -0.0002590400000000 ] - [ -0.0003771500000000, 0.0003741000000000, -0.0000616500000000 ] - [ 0.0001790000000000, -0.0010728500000000, 0.0005080500000000 ] - [ 0.0020115100000000, -0.0018475500000000, 0.0011899700000000 ] - [ -0.0015057300000000, 0.0001702200000000, 0.0025633200000000 ] - [ -0.0002791800000000, 0.0007772000000000, 0.0001794600000000 ] - [ 0.0002741000000000, -0.0001467500000000, 0.0009737600000000 ] - [ 0.0004728000000000, -0.0009035500000000, 0.0003624100000000 ] - [ -0.0000868500000000, 0.0013249500000000, -0.0007281200000000 ] - [ -0.0008408500000000, 0.0006893800000000, -0.0002699800000000 ] - [ -0.0005069000000000, 0.0004690300000000, -0.0000483500000000 ] - [ 0.0002917800000000, -0.0000926600000000, 0.0006346600000000 ] - [ 0.0004372300000000, -0.0002475700000000, -0.0004480300000000 ] - [ 0.0002982600000000, -0.0006836400000000, -0.0004473300000000 ] - [ -0.0003240800000000, 0.0003831900000000, -0.0002260800000000 ] - [ 0.0000508100000000, -0.0004128200000000, 0.0003202100000000 ] - [ 0.0016360300000000, 0.0038938400000000, -0.0019839000000000 ] - [ -0.0003250100000000, 0.0003662600000000, -0.0006340000000000 ] - [ 0.0002266200000000, 0.0009087400000000, -0.0003601900000000 ] - [ 0.0001469000000000, -0.0020155400000000, -0.0015798800000000 ] - [ -0.0003003600000000, -0.0001253900000000, 0.0000631400000000 ] - [ -0.0010330500000000, 0.0011409600000000, 0.0033410200000000 ] - [ -0.0002937400000000, -0.0000784000000000, -0.0003225500000000 ] - [ -0.0001543200000000, 0.0001628300000000, 0.0010784000000000 ] - [ -0.0008975600000000, -0.0004881500000000, 0.0001533000000000 ] - [ 0.0020788300000000, -0.0023679100000000, -0.0012058800000000 ] - [ 0.0002677600000000, -0.0003951000000000, 0.0002054700000000 ] - [ -0.0002900000000000, -0.0005708700000000, 0.0001633800000000 ] - [ -0.0000662900000000, -0.0002750700000000, 0.0008389700000000 ] - [ -0.0004866600000000, -0.0005806500000000, 0.0004126100000000 ] - [ -0.0000270500000000, 0.0001579800000000, 0.0000770200000000 ] - [ 0.0000670900000000, -0.0002881800000000, 0.0008843000000000 ] - [ 0.0003329400000000, 0.0005327000000000, -0.0001818400000000 ] - [ -0.0004516600000000, 0.0011021900000000, 0.0003417600000000 ] - [ -0.0004084100000000, -0.0004046900000000, -0.0003915100000000 ] - [ 0.0003295000000000, -0.0002059100000000, -0.0001353700000000 ] - [ 0.0001837900000000, 0.0000793900000000, 0.0001599000000000 ] - [ 0.0001079200000000, 0.0001371300000000, 0.0001232500000000 ] - [ -0.0003001100000000, 0.0003427100000000, 0.0006181300000000 ] - [ -0.0002239900000000, -0.0000682300000000, -0.0000944200000000 ] - [ -0.0003062400000000, -0.0003181100000000, -0.0001716700000000 ] - [ -0.0000331700000000, 0.0000546300000000, 0.0009725500000000 ] - [ 0.0000756900000000, -0.0001197500000000, -0.0000483900000000 ] - [ -0.0001788900000000, 0.0000693800000000, 0.0001554800000000 ] - [ 0.0008390900000000, 0.0006353500000000, -0.0002533400000000 ] - [ 0.0005699600000000, 0.0007578600000000, 0.0002716400000000 ] - [ 0.0004517900000000, 0.0010764800000000, 0.0003666900000000 ] - [ 0.0003680000000000, 0.0003660100000000, -0.0000794300000000 ] - [ 0.0005380400000000, -0.0011801800000000, 0.0002315100000000 ] - [ 0.0000349900000000, 0.0000562700000000, -0.0001840300000000 ] - [ -0.0001257100000000, 0.0002794500000000, -0.0001315700000000 ] - [ -0.0000631400000000, -0.0001855900000000, -0.0001479800000000 ] - [ -0.0005670700000000, -0.0006178600000000, 0.0002400400000000 ] - [ 0.0009482100000000, 0.0001236100000000, 0.0005738200000000 ] - [ 0.0009153300000000, -0.0022152100000000, -0.0004487100000000 ] - [ 0.0009000400000000, -0.0005227800000000, -0.0002486800000000 ] - [ -0.0011630400000000, -0.0005958800000000, -0.0004003300000000 ] - [ -0.0010184900000000, -0.0000578000000000, 0.0003165000000000 ] - [ -0.0000938500000000, -0.0004145500000000, 0.0002321400000000 ] - [ 0.0000938600000000, 0.0004339200000000, 0.0008670100000000 ] - [ -0.0001295500000000, 0.0006108200000000, 0.0003045300000000 ] - [ -0.0001683400000000, -0.0007976100000000, 0.0012642200000000 ] - [ 0.0000491100000000, 0.0000927500000000, 0.0009689000000000 ] - [ 0.0005489500000000, -0.0002119000000000, 0.0009257200000000 ] - [ 0.0001052900000000, 0.0004805500000000, -0.0001675300000000 ] - [ -0.0005371100000000, 0.0005432600000000, -0.0003300500000000 ] - [ -0.0005716800000000, 0.0007965000000000, 0.0002759400000000 ] - [ 0.0007117700000000, 0.0005865600000000, 0.0050592700000000 ] - [ 0.0001761200000000, -0.0001452300000000, -0.0001385000000000 ] - [ 0.0003070700000000, -0.0002997900000000, -0.0001667800000000 ] - [ -0.0003645500000000, 0.0008271100000000, -0.0002676800000000 ] - [ -0.0001137000000000, -0.0003097900000000, 0.0002072100000000 ] - [ 0.0003228600000000, 0.0003309300000000, -0.0006911700000000 ] - [ -0.0003282800000000, 0.0003024200000000, -0.0005377500000000 ] - [ -0.0002906300000000, -0.0000458900000000, 0.0005814300000000 ] - [ 0.0003088800000000, -0.0002079200000000, -0.0006650200000000 ] - [ -0.0001616700000000, -0.0002326300000000, -0.0002144000000000 ] - [ -0.0001108300000000, 0.0004724200000000, -0.0001500100000000 ] - [ -0.0000790200000000, 0.0000843900000000, -0.0002098400000000 ] - [ -0.0001056300000000, 0.0004969100000000, 0.0008981300000000 ] - [ 0.0001189700000000, 0.0002886300000000, -0.0001273900000000 ] - [ 0.0002813200000000, 0.0007701800000000, 0.0001902100000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027906700000000, -0.0003168000000000, -0.0045963300000000 ] - [ -0.0611844400000000, -0.0754104300000000, -0.0170822300000000 ] - [ -0.0005253300000000, 0.0023869000000000, -0.0002218000000000 ] - [ -0.0002581300000000, 0.0010442300000000, -0.0004423100000000 ] - [ 0.0001976600000000, 0.0001786900000000, 0.0002005200000000 ] - [ -0.0003750900000000, -0.0004772300000000, 0.0019065900000000 ] - [ 0.0000773400000000, -0.0006549500000000, 0.0016989000000000 ] - [ -0.0010083300000000, 0.0037340800000000, -0.0034702300000000 ] - [ -0.0004524500000000, 0.0009069900000000, -0.0004679200000000 ] - [ 0.0000733600000000, 0.0021145100000000, -0.0001278200000000 ] - [ -0.0007829300000000, 0.0001993000000000, 0.0000217100000000 ] - [ -0.0003042700000000, -0.0011812700000000, 0.0003544400000000 ] - [ 0.0063699300000000, -0.0098132900000000, -0.0022017900000000 ] - [ 0.0002548100000000, -0.0001636400000000, -0.0021938400000000 ] - [ 0.0001224500000000, 0.0018701700000000, -0.0001842800000000 ] - [ 0.0027882200000000, 0.0053585400000000, -0.0064083800000000 ] - [ 0.0004249500000000, 0.0006607400000000, -0.0005296700000000 ] - [ 0.0007508100000000, 0.0000471300000000, 0.0000509200000000 ] - [ -0.0005228500000000, 0.0007737500000000, 0.0001128400000000 ] - [ -0.0003620700000000, -0.0007192100000000, 0.0002827700000000 ] - [ 0.0004773500000000, 0.0019156400000000, -0.0001076300000000 ] - [ -0.0000441000000000, 0.0009251800000000, 0.0004191900000000 ] - [ 0.0001203500000000, 0.0009207700000000, 0.0006320800000000 ] - [ -0.0000927600000000, 0.0007461300000000, 0.0004993800000000 ] - [ -0.0002963400000000, -0.0007382800000000, 0.0005689000000000 ] - [ 0.0006063700000000, 0.0008768100000000, 0.0001336900000000 ] - [ -0.0003729700000000, -0.0016373100000000, 0.0001777700000000 ] - [ 0.0000403800000000, 0.0009640100000000, -0.0000511400000000 ] - [ -0.0000302600000000, 0.0007893400000000, -0.0000299500000000 ] - [ 0.0000404500000000, 0.0007226700000000, 0.0002147900000000 ] - [ -0.0000107900000000, 0.0002137700000000, 0.0000757300000000 ] - [ 0.0003322800000000, 0.0007420900000000, -0.0005118100000000 ] - [ -0.0072838500000000, 0.0119562400000000, 0.0120235700000000 ] - [ 0.0003735500000000, -0.0028100500000000, -0.0005062100000000 ] - [ 0.0001084900000000, 0.0020628700000000, -0.0007418100000000 ] - [ 0.0068072400000000, 0.0205515900000000, 0.0096056200000000 ] - [ 0.0000638800000000, 0.0009990900000000, -0.0012010400000000 ] - [ 0.0005640800000000, 0.0020799100000000, -0.0007502200000000 ] - [ -0.0008074100000000, -0.0074714400000000, 0.0028934300000000 ] - [ -0.0002571200000000, 0.0016291100000000, -0.0020002000000000 ] - [ 0.0032779200000000, -0.0139752800000000, -0.0002118500000000 ] - [ -0.0007692600000000, 0.0008126700000000, -0.0013478700000000 ] - [ 0.0029860700000000, -0.0102337200000000, -0.0001182500000000 ] - [ 0.0001350900000000, 0.0020743900000000, 0.0007020800000000 ] - [ 0.0002762600000000, 0.0029580600000000, 0.0003792800000000 ] - [ -0.0064017000000000, 0.0024086700000000, 0.0035005100000000 ] - [ -0.0004494300000000, -0.0001122400000000, -0.0001937300000000 ] - [ 0.0061257800000000, 0.0087699400000000, 0.0055308400000000 ] - [ -0.0005334300000000, 0.0015681200000000, 0.0000680200000000 ] - [ 0.0008515700000000, 0.0012660400000000, -0.0002078100000000 ] - [ 0.0004292900000000, -0.0011783300000000, -0.0009006400000000 ] - [ 0.0006948900000000, 0.0025176800000000, 0.0000736000000000 ] - [ 0.0005166700000000, -0.0063043500000000, 0.0011968600000000 ] - [ -0.0002556000000000, -0.0025102700000000, -0.0014639700000000 ] - [ -0.0005348100000000, 0.0016033900000000, -0.0008473700000000 ] - [ -0.0001975700000000, 0.0013989000000000, -0.0014555900000000 ] - [ 0.0005665300000000, 0.0016757100000000, -0.0009194800000000 ] - [ -0.0006467100000000, 0.0008738100000000, -0.0013423600000000 ] - [ -0.0000424500000000, 0.0009744100000000, -0.0012396600000000 ] - [ 0.0003801100000000, 0.0018523000000000, 0.0005722300000000 ] - [ 0.0003372800000000, 0.0025103600000000, 0.0007676500000000 ] - [ -0.0007170000000000, 0.0006547000000000, 0.0004106000000000 ] - [ -0.0007311100000000, 0.0031758500000000, -0.0002243600000000 ] - [ -0.0000896400000000, 0.0016607900000000, -0.0003708500000000 ] - [ 0.0003026900000000, -0.0019438100000000, -0.0000314500000000 ] - [ -0.0006940300000000, -0.0027947100000000, -0.0014434300000000 ] - [ -0.0013567100000000, -0.0034170100000000, 0.0023677200000000 ] - [ -0.0003726800000000, -0.0019928100000000, 0.0002458300000000 ] - [ -0.0000333200000000, -0.0002326900000000, -0.0002582200000000 ] - [ -0.0000833200000000, -0.0000452000000000, 0.0005008900000000 ] - [ 0.0009701900000000, -0.0013157800000000, -0.0001220000000000 ] - [ -0.0005526900000000, 0.0035259400000000, -0.0009895700000000 ] - [ -0.0004222700000000, -0.0009276700000000, -0.0006165900000000 ] - [ 0.0006338400000000, -0.0013825000000000, 0.0009556400000000 ] - [ -0.0001550800000000, 0.0015177200000000, 0.0001957100000000 ] - [ 0.0006676800000000, -0.0008405900000000, 0.0008992100000000 ] - [ -0.0001925600000000, 0.0007638100000000, 0.0021295100000000 ] - [ -0.0002486400000000, -0.0006106200000000, -0.0006428900000000 ] - [ 0.0243315600000000, 0.0217497000000000, 0.0071791900000000 ] - [ 0.0030440900000000, -0.0031404100000000, -0.0005328800000000 ] - [ 0.0003073100000000, -0.0016721200000000, -0.0019446300000000 ] - [ -0.0032007100000000, 0.0054875500000000, 0.0001466100000000 ] - [ -0.0002017200000000, -0.0018915400000000, -0.0020312600000000 ] - [ 0.0296618000000000, 0.0229858100000000, 0.0123099400000000 ] - [ 0.0002083200000000, 0.0088993400000000, -0.0020822600000000 ] - [ 0.0002989300000000, 0.0039272400000000, 0.0000447300000000 ] - [ 0.0002409100000000, -0.0010170100000000, 0.0000803500000000 ] - [ -0.0019919800000000, -0.0018034200000000, -0.0017571700000000 ] - [ -0.0004752400000000, 0.0026044700000000, 0.0016748400000000 ] - [ 0.0000418200000000, 0.0001224100000000, 0.0007363700000000 ] - [ -0.0006045700000000, -0.0017925200000000, 0.0005625600000000 ] - [ 0.0000579800000000, -0.0001428900000000, 0.0001637100000000 ] - [ 0.0005839200000000, -0.0011529700000000, 0.0001742900000000 ] - [ 0.0024835500000000, -0.0009992800000000, -0.0016052500000000 ] - [ -0.0008262200000000, -0.0011890300000000, -0.0002233800000000 ] - [ -0.0002838600000000, -0.0002837800000000, -0.0000810400000000 ] - [ -0.0001402500000000, -0.0021909200000000, 0.0015110600000000 ] - [ 0.0016907500000000, 0.0004111300000000, 0.0015773300000000 ] - [ -0.0017433700000000, 0.0058929900000000, -0.0017506000000000 ] - [ -0.0002656300000000, -0.0007015200000000, 0.0008341300000000 ] - [ -0.0000938500000000, 0.0003733500000000, 0.0009990700000000 ] - [ 0.0004606600000000, -0.0019795100000000, -0.0002179200000000 ] - [ -0.0001222900000000, 0.0023421500000000, 0.0006189500000000 ] - [ -0.0009020300000000, -0.0000515400000000, -0.0001427000000000 ] - [ -0.0006525000000000, 0.0017208400000000, 0.0005767400000000 ] - [ 0.0003456300000000, -0.0010649900000000, 0.0007983800000000 ] - [ -0.0002267000000000, -0.0007727900000000, 0.0007720000000000 ] - [ 0.0002968900000000, 0.0006504700000000, -0.0000389000000000 ] - [ -0.0002811500000000, 0.0005421500000000, -0.0000485000000000 ] - [ 0.0002710200000000, -0.0012650600000000, 0.0002298600000000 ] - [ -0.0005505300000000, -0.0010089200000000, -0.0002363300000000 ] - [ -0.0002079600000000, -0.0004284500000000, -0.0005703900000000 ] - [ -0.0007866000000000, 0.0014275500000000, 0.0011910300000000 ] - [ 0.0006839600000000, 0.0001764300000000, -0.0024156800000000 ] - [ -0.0004984000000000, -0.0011103800000000, -0.0004320100000000 ] - [ -0.0001499000000000, 0.0017996400000000, -0.0054210800000000 ] - [ 0.0000010200000000, 0.0002381800000000, 0.0003232800000000 ] - [ -0.0000242700000000, 0.0009242500000000, 0.0005470300000000 ] - [ 0.0008291800000000, 0.0018435100000000, -0.0004042700000000 ] - [ 0.0024865400000000, 0.0053375900000000, -0.0043697000000000 ] - [ 0.0002556700000000, -0.0004634000000000, 0.0002467800000000 ] - [ -0.0002941700000000, -0.0016718300000000, -0.0003924800000000 ] - [ -0.0001132900000000, -0.0008078000000000, 0.0008235700000000 ] - [ -0.0005658500000000, -0.0006716200000000, 0.0006600300000000 ] - [ -0.0002818000000000, -0.0006774200000000, -0.0000166700000000 ] - [ 0.0001804700000000, -0.0011920900000000, 0.0008877500000000 ] - [ 0.0003187100000000, -0.0000608500000000, -0.0002348200000000 ] - [ -0.0004826500000000, -0.0002891100000000, 0.0010015900000000 ] - [ -0.0001455800000000, 0.0003444400000000, -0.0009689200000000 ] - [ 0.0003545200000000, -0.0005959200000000, 0.0001898300000000 ] - [ -0.0000263800000000, -0.0007102700000000, -0.0000009400000000 ] - [ 0.0002372900000000, -0.0004750500000000, 0.0004921000000000 ] - [ -0.0002744600000000, -0.0004424200000000, 0.0006912200000000 ] - [ -0.0002297100000000, -0.0008572700000000, -0.0005130800000000 ] - [ -0.0003350400000000, -0.0011234400000000, -0.0002963100000000 ] - [ -0.0000292700000000, -0.0004051700000000, 0.0009328700000000 ] - [ 0.0001716900000000, -0.0013828600000000, -0.0006171900000000 ] - [ -0.0000140300000000, -0.0006582400000000, 0.0000328700000000 ] - [ 0.0009246500000000, 0.0001036600000000, -0.0002942100000000 ] - [ 0.0005322600000000, -0.0000169300000000, 0.0001391100000000 ] - [ 0.0004985800000000, -0.0002738500000000, 0.0008834400000000 ] - [ 0.0003072100000000, -0.0002233200000000, -0.0000703400000000 ] - [ 0.0004676100000000, -0.0013932800000000, -0.0011777500000000 ] - [ -0.0000307700000000, -0.0003522000000000, -0.0002702900000000 ] - [ -0.0001013900000000, -0.0002877000000000, -0.0001688000000000 ] - [ -0.0001712500000000, -0.0009913900000000, -0.0000765700000000 ] - [ -0.0005897000000000, -0.0005003500000000, 0.0005023700000000 ] - [ -0.0004749000000000, 0.0020196200000000, 0.0005342600000000 ] - [ 0.0010329500000000, -0.0039576700000000, -0.0006333400000000 ] - [ 0.0008392500000000, -0.0010815900000000, -0.0003416000000000 ] - [ -0.0008701900000000, -0.0000056500000000, -0.0000048800000000 ] - [ -0.0003187800000000, 0.0016165300000000, -0.0002522600000000 ] - [ -0.0000751900000000, -0.0009647600000000, 0.0005925900000000 ] - [ 0.0000464700000000, -0.0001659200000000, 0.0009207500000000 ] - [ -0.0000988600000000, -0.0000773500000000, 0.0001876100000000 ] - [ -0.0003133600000000, 0.0027699100000000, -0.0008094400000000 ] - [ 0.0000316700000000, -0.0005777700000000, 0.0010243100000000 ] - [ 0.0003415500000000, -0.0022691100000000, -0.0009786100000000 ] - [ 0.0000187800000000, -0.0006195900000000, 0.0002044300000000 ] - [ -0.0008568700000000, 0.0010599600000000, -0.0000963300000000 ] - [ -0.0005321800000000, -0.0001723400000000, 0.0001759400000000 ] - [ -0.0001926400000000, 0.0013442200000000, -0.0026743000000000 ] - [ 0.0002094500000000, -0.0005806200000000, 0.0003013500000000 ] - [ 0.0003442700000000, -0.0013090200000000, -0.0002595900000000 ] - [ -0.0002858600000000, -0.0006008300000000, 0.0000559100000000 ] - [ -0.0000744800000000, -0.0006887800000000, -0.0001407900000000 ] - [ 0.0002564200000000, -0.0001296600000000, -0.0007379700000000 ] - [ -0.0003822600000000, 0.0006242200000000, -0.0008078300000000 ] - [ -0.0003423900000000, -0.0011448600000000, 0.0009960200000000 ] - [ 0.0004028300000000, -0.0007455800000000, -0.0006352600000000 ] - [ -0.0001921000000000, -0.0005209000000000, -0.0006257000000000 ] - [ 0.0000069100000000, -0.0004637700000000, -0.0000124400000000 ] - [ -0.0000449700000000, -0.0005062800000000, -0.0000993900000000 ] - [ -0.0000233000000000, -0.0003707600000000, 0.0008884700000000 ] - [ 0.0001313500000000, -0.0003071900000000, -0.0002134100000000 ] - [ 0.0002533800000000, -0.0006185000000000, 0.0007163900000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0034983800000000, 0.0002124900000000, 0.0035910000000000 ] - [ 0.0631486000000000, 0.0743621000000000, 0.0170900100000000 ] - [ -0.0007653100000000, -0.0011023000000000, 0.0002485200000000 ] - [ -0.0004801000000000, -0.0009454000000000, -0.0005421000000000 ] - [ -0.0001187300000000, -0.0002026500000000, -0.0002154900000000 ] - [ 0.0003725100000000, 0.0004821600000000, -0.0012979800000000 ] - [ -0.0000762600000000, 0.0006590200000000, -0.0005900400000000 ] - [ 0.0010123900000000, -0.0037615500000000, 0.0046257500000000 ] - [ -0.0002855100000000, -0.0010064500000000, -0.0005163400000000 ] - [ 0.0012142700000000, -0.0008204600000000, 0.0001529800000000 ] - [ -0.0005085500000000, -0.0014907900000000, 0.0000035200000000 ] - [ 0.0002239600000000, 0.0012083200000000, -0.0003690400000000 ] - [ -0.0062895500000000, 0.0098601900000000, 0.0021922100000000 ] - [ -0.0002503700000000, 0.0001701600000000, 0.0028066200000000 ] - [ -0.0001994600000000, -0.0018957900000000, 0.0001706000000000 ] - [ -0.0020063300000000, -0.0052161200000000, 0.0053532000000000 ] - [ 0.0003128200000000, -0.0007593700000000, -0.0004546600000000 ] - [ 0.0005404800000000, -0.0013392400000000, -0.0000262300000000 ] - [ -0.0007683800000000, 0.0005166700000000, -0.0000888100000000 ] - [ -0.0003783600000000, 0.0008147200000000, -0.0012685500000000 ] - [ -0.0003966000000000, -0.0019339700000000, 0.0000933600000000 ] - [ 0.0000448800000000, -0.0009249200000000, 0.0001927200000000 ] - [ -0.0001206000000000, -0.0009206100000000, 0.0004749300000000 ] - [ 0.0000925900000000, -0.0007458800000000, 0.0006069600000000 ] - [ -0.0004389300000000, 0.0006348200000000, -0.0015542800000000 ] - [ 0.0006846800000000, 0.0004175100000000, -0.0001088600000000 ] - [ -0.0009183300000000, 0.0003452100000000, -0.0001528800000000 ] - [ -0.0001192000000000, -0.0009372400000000, 0.0000365100000000 ] - [ 0.0001092600000000, -0.0007631400000000, 0.0000149800000000 ] - [ -0.0000401600000000, -0.0007224600000000, 0.0003949000000000 ] - [ -0.0000681400000000, -0.0002415800000000, -0.0000914500000000 ] - [ 0.0004059100000000, -0.0006422700000000, -0.0004722900000000 ] - [ 0.0065238300000000, -0.0119517600000000, -0.0127095900000000 ] - [ 0.0011228400000000, 0.0009598000000000, 0.0005976400000000 ] - [ 0.0005132200000000, -0.0019362600000000, -0.0001171200000000 ] - [ -0.0055687100000000, -0.0186923500000000, -0.0095787600000000 ] - [ 0.0002905500000000, -0.0022158500000000, -0.0005258100000000 ] - [ 0.0000578500000000, -0.0022072300000000, -0.0001082800000000 ] - [ -0.0001373900000000, 0.0074756900000000, -0.0039678300000000 ] - [ -0.0000994600000000, -0.0004096800000000, 0.0002660800000000 ] - [ -0.0023331200000000, 0.0139728600000000, -0.0009178800000000 ] - [ -0.0001831800000000, -0.0008091900000000, 0.0002389100000000 ] - [ -0.0033598200000000, 0.0090494900000000, -0.0015997700000000 ] - [ 0.0008237200000000, -0.0020736500000000, -0.0018188200000000 ] - [ 0.0000778400000000, -0.0017444500000000, -0.0021099800000000 ] - [ 0.0050493600000000, -0.0043122000000000, -0.0034606200000000 ] - [ -0.0010464500000000, 0.0019755600000000, 0.0002858200000000 ] - [ -0.0066479300000000, -0.0087513300000000, -0.0063763500000000 ] - [ -0.0000882500000000, -0.0016941400000000, -0.0009297000000000 ] - [ 0.0006433400000000, -0.0031236700000000, 0.0002950700000000 ] - [ 0.0001933900000000, 0.0012988300000000, 0.0000393600000000 ] - [ 0.0007996500000000, -0.0006599200000000, 0.0000145800000000 ] - [ -0.0001691100000000, 0.0050962500000000, -0.0029569800000000 ] - [ 0.0008754000000000, 0.0023725800000000, 0.0005970500000000 ] - [ -0.0004208300000000, -0.0016059900000000, -0.0002653100000000 ] - [ -0.0001576100000000, -0.0001787600000000, -0.0002686800000000 ] - [ 0.0003892000000000, -0.0016777100000000, -0.0001937700000000 ] - [ -0.0003095200000000, -0.0008721900000000, 0.0002253900000000 ] - [ -0.0003120400000000, -0.0021918400000000, -0.0004865900000000 ] - [ 0.0005766200000000, -0.0018509700000000, -0.0016816600000000 ] - [ 0.0000166900000000, -0.0012970000000000, -0.0024903600000000 ] - [ -0.0007774600000000, -0.0025148900000000, -0.0003221400000000 ] - [ -0.0007635300000000, -0.0013136800000000, 0.0003123000000000 ] - [ -0.0005321000000000, -0.0015326400000000, -0.0004894300000000 ] - [ 0.0002521400000000, 0.0007989300000000, 0.0005551600000000 ] - [ 0.0001492600000000, 0.0016627800000000, 0.0019772300000000 ] - [ 0.0011917400000000, 0.0027045300000000, -0.0006021300000000 ] - [ -0.0005433000000000, 0.0001906300000000, 0.0006179300000000 ] - [ -0.0002742000000000, 0.0002898000000000, 0.0005350700000000 ] - [ 0.0002608500000000, -0.0006520300000000, 0.0012500600000000 ] - [ -0.0003596100000000, 0.0021684600000000, -0.0002485300000000 ] - [ -0.0003631700000000, -0.0017151400000000, 0.0018491200000000 ] - [ -0.0002202600000000, 0.0003711400000000, -0.0006744000000000 ] - [ 0.0000859700000000, 0.0008054300000000, -0.0010922400000000 ] - [ 0.0004570700000000, -0.0015812600000000, 0.0000753500000000 ] - [ -0.0003653500000000, 0.0009028500000000, -0.0006287800000000 ] - [ -0.0004043600000000, -0.0003545100000000, -0.0008360700000000 ] - [ -0.0000028300000000, 0.0001966600000000, 0.0003646400000000 ] - [ -0.0261683800000000, -0.0233050600000000, -0.0079834000000000 ] - [ -0.0030457800000000, 0.0031174400000000, 0.0024974900000000 ] - [ -0.0001277300000000, 0.0009724900000000, 0.0016899700000000 ] - [ 0.0029220700000000, -0.0055460500000000, 0.0002262200000000 ] - [ 0.0019178200000000, 0.0030402700000000, 0.0015009600000000 ] - [ -0.0275646600000000, -0.0214782600000000, -0.0114144900000000 ] - [ 0.0006276600000000, -0.0070491300000000, 0.0030419200000000 ] - [ 0.0004246700000000, -0.0033427000000000, -0.0002056100000000 ] - [ 0.0003566800000000, 0.0014242600000000, 0.0012070400000000 ] - [ 0.0019449500000000, 0.0017725100000000, 0.0013583700000000 ] - [ 0.0002327800000000, -0.0022013100000000, -0.0019344100000000 ] - [ -0.0002338700000000, -0.0008306100000000, -0.0010039000000000 ] - [ -0.0005266900000000, 0.0004703600000000, -0.0000500700000000 ] - [ 0.0001898300000000, 0.0011790700000000, 0.0004257600000000 ] - [ 0.0005483000000000, -0.0001707000000000, 0.0003397000000000 ] - [ -0.0006694500000000, -0.0001300000000000, 0.0010900900000000 ] - [ -0.0009162500000000, 0.0000290800000000, -0.0002874800000000 ] - [ -0.0004351000000000, 0.0008551100000000, -0.0000624700000000 ] - [ -0.0001060800000000, 0.0011511300000000, -0.0009173100000000 ] - [ -0.0015491300000000, 0.0002743000000000, 0.0001753500000000 ] - [ 0.0015065800000000, -0.0048765800000000, 0.0022318400000000 ] - [ -0.0002895800000000, 0.0018438100000000, -0.0003099800000000 ] - [ 0.0000946600000000, -0.0003752400000000, 0.0009515900000000 ] - [ 0.0004544100000000, 0.0001764500000000, 0.0010832600000000 ] - [ 0.0003161500000000, -0.0016386300000000, -0.0008813600000000 ] - [ -0.0008409400000000, 0.0012124300000000, -0.0003683300000000 ] - [ -0.0004804700000000, -0.0003958200000000, -0.0000621800000000 ] - [ 0.0002519100000000, 0.0006591600000000, 0.0004884000000000 ] - [ 0.0004786500000000, 0.0003608400000000, -0.0010533000000000 ] - [ 0.0003260400000000, -0.0015035700000000, -0.0003347500000000 ] - [ -0.0003425500000000, 0.0003075400000000, -0.0003244500000000 ] - [ -0.0000239200000000, 0.0002292400000000, 0.0003600400000000 ] - [ 0.0011877600000000, 0.0015820900000000, -0.0010699200000000 ] - [ -0.0004347400000000, 0.0009856800000000, -0.0007198900000000 ] - [ 0.0001925600000000, -0.0018288100000000, 0.0000899100000000 ] - [ -0.0002437300000000, -0.0005258000000000, 0.0010349800000000 ] - [ -0.0002200800000000, 0.0005402900000000, 0.0002895600000000 ] - [ -0.0000221900000000, -0.0011067200000000, 0.0051487500000000 ] - [ -0.0000007100000000, -0.0002399100000000, -0.0007118300000000 ] - [ -0.0001535900000000, -0.0002312400000000, 0.0012059000000000 ] - [ -0.0005740300000000, -0.0014332400000000, 0.0001158600000000 ] - [ -0.0019532000000000, -0.0042034500000000, 0.0049200500000000 ] - [ 0.0002989800000000, -0.0006826500000000, 0.0002752000000000 ] - [ -0.0002604700000000, 0.0005313200000000, 0.0009174900000000 ] - [ -0.0000642300000000, 0.0001125600000000, 0.0009295900000000 ] - [ -0.0003503800000000, -0.0011261300000000, 0.0002079300000000 ] - [ -0.0000225700000000, 0.0007375900000000, 0.0002902400000000 ] - [ -0.0000033300000000, 0.0004950500000000, 0.0008647500000000 ] - [ 0.0003049200000000, 0.0009128200000000, -0.0001381500000000 ] - [ -0.0004329400000000, 0.0020911300000000, -0.0001377500000000 ] - [ -0.0004969300000000, -0.0008991800000000, -0.0003218200000000 ] - [ 0.0003648700000000, 0.0000243400000000, -0.0003339200000000 ] - [ 0.0003314900000000, 0.0006507700000000, 0.0002760300000000 ] - [ 0.0000674500000000, 0.0005351000000000, -0.0002154700000000 ] - [ -0.0003229700000000, 0.0008470400000000, 0.0005941200000000 ] - [ -0.0000239200000000, 0.0004440300000000, 0.0002306400000000 ] - [ -0.0002883000000000, 0.0002727700000000, -0.0000759400000000 ] - [ 0.0000294800000000, 0.0004059000000000, 0.0010189400000000 ] - [ 0.0000188300000000, 0.0006779500000000, 0.0003517800000000 ] - [ -0.0002911700000000, 0.0005986100000000, 0.0002428200000000 ] - [ 0.0008177900000000, 0.0010564600000000, -0.0002161000000000 ] - [ 0.0005998500000000, 0.0013397800000000, 0.0003744000000000 ] - [ 0.0004166400000000, 0.0020763600000000, -0.0000180300000000 ] - [ 0.0004119300000000, 0.0007945700000000, -0.0000732100000000 ] - [ 0.0001346600000000, 0.0018069600000000, 0.0024657800000000 ] - [ 0.0000304700000000, 0.0003529000000000, -0.0001155400000000 ] - [ -0.0001508700000000, 0.0007006500000000, -0.0001109100000000 ] - [ -0.0000192800000000, 0.0002869300000000, -0.0001870000000000 ] - [ -0.0005422700000000, -0.0008209200000000, 0.0000123000000000 ] - [ 0.0007315200000000, -0.0009823100000000, 0.0000596000000000 ] - [ 0.0001050200000000, 0.0026236200000000, 0.0011351500000000 ] - [ 0.0009034900000000, -0.0000793400000000, -0.0001686200000000 ] - [ -0.0008732400000000, -0.0011514900000000, -0.0005054300000000 ] - [ -0.0004037700000000, -0.0010451700000000, 0.0001154100000000 ] - [ -0.0001733000000000, -0.0000717500000000, -0.0000039600000000 ] - [ 0.0001309800000000, 0.0008621500000000, 0.0008317400000000 ] - [ -0.0001487900000000, 0.0011135200000000, 0.0004012700000000 ] - [ -0.0002408700000000, -0.0016362800000000, 0.0013397500000000 ] - [ -0.0000315900000000, 0.0005772000000000, 0.0009276000000000 ] - [ 0.0005703900000000, 0.0004698800000000, 0.0018402400000000 ] - [ 0.0001720300000000, 0.0013242100000000, -0.0004684500000000 ] - [ -0.0008846600000000, 0.0001040600000000, -0.0004136500000000 ] - [ -0.0006000400000000, 0.0014957300000000, 0.0003372200000000 ] - [ 0.0007853700000000, -0.0017391900000000, 0.0039903200000000 ] - [ 0.0000435900000000, 0.0001679300000000, -0.0005793600000000 ] - [ 0.0002794300000000, 0.0004578800000000, -0.0001123900000000 ] - [ -0.0003383200000000, 0.0014510000000000, -0.0004285300000000 ] - [ 0.0003224000000000, -0.0003427400000000, 0.0007289200000000 ] - [ 0.0003863400000000, 0.0006861200000000, -0.0005525100000000 ] - [ -0.0002604900000000, -0.0000654600000000, -0.0004812400000000 ] - [ -0.0002552100000000, 0.0007394300000000, 0.0002896500000000 ] - [ 0.0002399600000000, 0.0001890200000000, -0.0006553400000000 ] - [ -0.0005266100000000, -0.0000481600000000, 0.0004814700000000 ] - [ -0.0001974500000000, 0.0011697900000000, -0.0002526300000000 ] - [ 0.0000445000000000, 0.0005057500000000, -0.0002856600000000 ] - [ -0.0001540000000000, 0.0010663200000000, 0.0008637000000000 ] - [ 0.0001212200000000, 0.0007200600000000, -0.0000667400000000 ] - [ 0.0003009700000000, 0.0017615400000000, -0.0001925600000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002965200000000, -0.0017768500000000, -0.0015172200000000 ] - [ -0.0236911600000000, -0.0178848900000000, -0.0551643100000000 ] - [ -0.0007099900000000, 0.0008835700000000, -0.0007660900000000 ] - [ -0.0003139700000000, 0.0002295700000000, -0.0006135600000000 ] - [ 0.0001134100000000, -0.0000817900000000, 0.0005780800000000 ] - [ -0.0002565700000000, 0.0010624800000000, 0.0018968400000000 ] - [ 0.0001921100000000, 0.0012072700000000, 0.0015186300000000 ] - [ 0.0019662600000000, -0.0074859200000000, -0.0003906500000000 ] - [ -0.0003801000000000, 0.0001371100000000, -0.0006200100000000 ] - [ 0.0008335400000000, 0.0007828500000000, -0.0005473700000000 ] - [ -0.0006514800000000, -0.0006369100000000, -0.0000879400000000 ] - [ -0.0000615500000000, 0.0000342500000000, 0.0027462700000000 ] - [ 0.0022008000000000, -0.0022821600000000, -0.0066994700000000 ] - [ -0.0005592500000000, -0.0016796000000000, -0.0013241500000000 ] - [ 0.0001214700000000, 0.0003198100000000, -0.0005494100000000 ] - [ -0.0001805600000000, -0.0092310700000000, -0.0019905200000000 ] - [ 0.0003668900000000, -0.0001919800000000, -0.0003584500000000 ] - [ 0.0006458000000000, -0.0006077100000000, 0.0001152600000000 ] - [ -0.0006168000000000, 0.0005468900000000, 0.0006863300000000 ] - [ -0.0004785600000000, 0.0009293800000000, 0.0008992900000000 ] - [ -0.0000860500000000, 0.0002912300000000, -0.0008845200000000 ] - [ -0.0000387400000000, 0.0001816900000000, 0.0001585700000000 ] - [ 0.0000257100000000, 0.0001845100000000, 0.0004499400000000 ] - [ 0.0000273200000000, -0.0001545000000000, 0.0006628000000000 ] - [ -0.0004276700000000, 0.0009030800000000, 0.0012114900000000 ] - [ 0.0006116100000000, 0.0005233800000000, 0.0005859400000000 ] - [ -0.0007872700000000, -0.0004804100000000, 0.0025200800000000 ] - [ -0.0000344300000000, 0.0000206000000000, -0.0001072900000000 ] - [ 0.0000410400000000, 0.0000591000000000, 0.0000909100000000 ] - [ -0.0000401200000000, -0.0001188000000000, 0.0004525900000000 ] - [ -0.0000168200000000, -0.0001772600000000, 0.0006812000000000 ] - [ 0.0004161400000000, -0.0000688900000000, -0.0003639200000000 ] - [ -0.0053631100000000, 0.0137892600000000, -0.0113039300000000 ] - [ 0.0009282800000000, -0.0019413600000000, 0.0026550600000000 ] - [ 0.0004138000000000, -0.0002479400000000, -0.0008784600000000 ] - [ 0.0017665800000000, 0.0096322600000000, -0.0007532800000000 ] - [ 0.0001687200000000, -0.0005178200000000, -0.0008756400000000 ] - [ 0.0003062400000000, -0.0000604500000000, -0.0008237500000000 ] - [ 0.0045207000000000, 0.0015699500000000, 0.0082253200000000 ] - [ 0.0001601500000000, -0.0007843300000000, -0.0011251100000000 ] - [ -0.0126365900000000, -0.0033092500000000, 0.0144767300000000 ] - [ 0.0005144200000000, -0.0013199000000000, -0.0004488600000000 ] - [ -0.0124539400000000, 0.0011825000000000, 0.0073245900000000 ] - [ 0.0003837400000000, 0.0017569000000000, 0.0000687500000000 ] - [ 0.0002766000000000, 0.0015763800000000, -0.0004472000000000 ] - [ -0.0025720200000000, 0.0061363600000000, -0.0054962900000000 ] - [ -0.0004847000000000, -0.0005493700000000, 0.0043180900000000 ] - [ 0.0026987200000000, 0.0084096700000000, -0.0003332000000000 ] - [ -0.0003390600000000, 0.0000704200000000, -0.0000436900000000 ] - [ 0.0008026800000000, -0.0009528300000000, -0.0003018900000000 ] - [ 0.0007663500000000, -0.0015819500000000, 0.0040500800000000 ] - [ 0.0006519400000000, 0.0014297400000000, 0.0003914200000000 ] - [ 0.0034760300000000, -0.0000078000000000, 0.0045514100000000 ] - [ 0.0000328900000000, -0.0014006900000000, 0.0023954000000000 ] - [ -0.0004628400000000, 0.0001123700000000, -0.0005860400000000 ] - [ -0.0002364200000000, -0.0003039700000000, -0.0011311600000000 ] - [ 0.0005027400000000, -0.0000154100000000, -0.0005491900000000 ] - [ -0.0006698300000000, -0.0009656600000000, -0.0008246600000000 ] - [ -0.0001824600000000, -0.0006216300000000, -0.0008657000000000 ] - [ 0.0004920400000000, 0.0008607800000000, -0.0002010200000000 ] - [ 0.0004949300000000, 0.0030723400000000, 0.0001170200000000 ] - [ -0.0006946000000000, -0.0007943100000000, 0.0003667200000000 ] - [ -0.0008215300000000, 0.0005825200000000, -0.0003064000000000 ] - [ -0.0002028800000000, 0.0004490400000000, -0.0000573700000000 ] - [ 0.0002128100000000, 0.0000406900000000, 0.0007539700000000 ] - [ -0.0002455800000000, -0.0016774800000000, 0.0003103600000000 ] - [ -0.0001677300000000, -0.0018097100000000, 0.0033183400000000 ] - [ -0.0005032700000000, -0.0002348700000000, 0.0009782500000000 ] - [ -0.0002015800000000, -0.0004720500000000, -0.0000680000000000 ] - [ -0.0000038700000000, -0.0001877300000000, -0.0003325000000000 ] - [ 0.0004153700000000, -0.0001177600000000, 0.0004050500000000 ] - [ -0.0005334300000000, 0.0028074900000000, -0.0017872000000000 ] - [ -0.0003306800000000, -0.0003018200000000, -0.0004749200000000 ] - [ 0.0005051500000000, -0.0000841300000000, 0.0004959100000000 ] - [ -0.0003724900000000, -0.0015961100000000, -0.0020236600000000 ] - [ -0.0006257800000000, 0.0012857700000000, 0.0001411800000000 ] - [ -0.0008706200000000, 0.0013556500000000, 0.0000366300000000 ] - [ -0.0004087600000000, -0.0005132400000000, -0.0006618100000000 ] - [ 0.0135022100000000, 0.0094086800000000, 0.0047438900000000 ] - [ 0.0004957000000000, -0.0012363000000000, 0.0031787100000000 ] - [ 0.0000900500000000, -0.0026781200000000, -0.0010284800000000 ] - [ 0.0008293600000000, -0.0040427500000000, 0.0060488500000000 ] - [ 0.0008686300000000, -0.0015890100000000, 0.0010644800000000 ] - [ 0.0170803600000000, 0.0095545000000000, 0.0070948600000000 ] - [ -0.0003350200000000, 0.0008468700000000, 0.0079684600000000 ] - [ 0.0024005300000000, 0.0017820600000000, 0.0021022000000000 ] - [ 0.0002839800000000, -0.0000778300000000, 0.0004414900000000 ] - [ 0.0003404800000000, -0.0012102600000000, 0.0003722800000000 ] - [ 0.0037827200000000, 0.0022999800000000, 0.0016089100000000 ] - [ -0.0002068000000000, 0.0004692300000000, -0.0005132000000000 ] - [ -0.0005095900000000, -0.0007563200000000, 0.0004382900000000 ] - [ 0.0001257500000000, 0.0004996100000000, 0.0003224600000000 ] - [ 0.0005564000000000, -0.0006558300000000, 0.0000952500000000 ] - [ 0.0006077400000000, -0.0025021400000000, 0.0009269700000000 ] - [ -0.0008199900000000, -0.0005390200000000, -0.0001572000000000 ] - [ -0.0003758000000000, 0.0002683700000000, -0.0000238200000000 ] - [ -0.0002566400000000, -0.0001643700000000, 0.0005979700000000 ] - [ -0.0000805400000000, 0.0010953000000000, 0.0049380200000000 ] - [ 0.0001528600000000, -0.0037174600000000, 0.0054865600000000 ] - [ -0.0002784900000000, 0.0005785000000000, 0.0003388900000000 ] - [ 0.0002148600000000, 0.0002631100000000, -0.0001148300000000 ] - [ 0.0004962700000000, -0.0015321800000000, -0.0001424500000000 ] - [ 0.0013337500000000, 0.0033952400000000, -0.0033163800000000 ] - [ -0.0009395700000000, 0.0006085500000000, -0.0001515100000000 ] - [ -0.0005142400000000, 0.0002857200000000, -0.0013131700000000 ] - [ 0.0003061300000000, -0.0003454300000000, 0.0006509000000000 ] - [ -0.0002994300000000, -0.0001898700000000, 0.0004100400000000 ] - [ 0.0002762700000000, -0.0007657800000000, -0.0016689100000000 ] - [ -0.0003365300000000, 0.0007823300000000, -0.0006796900000000 ] - [ 0.0001673800000000, -0.0008433000000000, 0.0003965900000000 ] - [ 0.0007015000000000, -0.0011735300000000, 0.0030343400000000 ] - [ -0.0003247300000000, 0.0002215100000000, -0.0003316700000000 ] - [ 0.0014383100000000, 0.0024998400000000, -0.0028827700000000 ] - [ -0.0000834600000000, -0.0000746400000000, 0.0070837400000000 ] - [ -0.0004480100000000, -0.0005753000000000, 0.0000172600000000 ] - [ -0.0005103300000000, -0.0010041200000000, -0.0006291600000000 ] - [ -0.0003001400000000, 0.0004239000000000, -0.0016365900000000 ] - [ 0.0001745700000000, -0.0000124800000000, -0.0009062800000000 ] - [ 0.0005669300000000, -0.0010975700000000, -0.0027901600000000 ] - [ 0.0026812500000000, -0.0035210600000000, 0.0017653000000000 ] - [ 0.0002307100000000, 0.0004036500000000, -0.0000857400000000 ] - [ -0.0003253100000000, -0.0013641100000000, -0.0004380900000000 ] - [ -0.0000128000000000, -0.0003326800000000, 0.0005409800000000 ] - [ -0.0005492100000000, 0.0000769600000000, 0.0000638700000000 ] - [ -0.0002222400000000, -0.0002519900000000, 0.0002803200000000 ] - [ 0.0001507800000000, -0.0003716200000000, 0.0011772400000000 ] - [ 0.0003461100000000, 0.0003990800000000, -0.0003360300000000 ] - [ -0.0004447100000000, 0.0008879300000000, 0.0005298800000000 ] - [ -0.0002662000000000, -0.0003744700000000, -0.0026224500000000 ] - [ 0.0002535000000000, -0.0000343800000000, -0.0002253000000000 ] - [ 0.0001381800000000, -0.0000787900000000, 0.0001578400000000 ] - [ 0.0000906000000000, 0.0003395000000000, 0.0000143200000000 ] - [ -0.0003169400000000, 0.0004270500000000, 0.0008322500000000 ] - [ -0.0001709700000000, -0.0005392600000000, -0.0000955000000000 ] - [ -0.0003107000000000, -0.0004803300000000, -0.0002415300000000 ] - [ -0.0000676500000000, -0.0000725800000000, 0.0008420000000000 ] - [ 0.0000903800000000, -0.0005965900000000, -0.0003107300000000 ] - [ -0.0001598900000000, -0.0000162300000000, 0.0001115500000000 ] - [ 0.0008317700000000, 0.0005025700000000, -0.0003499800000000 ] - [ 0.0005597500000000, 0.0006089100000000, 0.0001928600000000 ] - [ 0.0004715900000000, 0.0008423300000000, 0.0003669800000000 ] - [ 0.0003358800000000, 0.0002735500000000, -0.0001253200000000 ] - [ 0.0005079900000000, -0.0039189200000000, -0.0011616900000000 ] - [ 0.0000546800000000, -0.0000610600000000, -0.0002824700000000 ] - [ -0.0001531000000000, 0.0001795800000000, -0.0001932100000000 ] - [ -0.0000892100000000, -0.0001271800000000, 0.0000372800000000 ] - [ -0.0004464100000000, -0.0001721300000000, -0.0003367300000000 ] - [ 0.0003327900000000, -0.0006304600000000, -0.0015731400000000 ] - [ 0.0005919300000000, -0.0005240400000000, 0.0012898100000000 ] - [ 0.0009069600000000, -0.0006646500000000, -0.0003467600000000 ] - [ -0.0010870100000000, -0.0001857400000000, -0.0012779300000000 ] - [ -0.0001824800000000, -0.0005282300000000, -0.0022420600000000 ] - [ -0.0001177600000000, -0.0002105000000000, 0.0001551600000000 ] - [ 0.0000647400000000, 0.0003144700000000, 0.0007342200000000 ] - [ -0.0001147400000000, 0.0004980800000000, 0.0002565900000000 ] - [ -0.0003829100000000, 0.0020521800000000, -0.0015513800000000 ] - [ -0.0000535100000000, 0.0000378200000000, 0.0011054600000000 ] - [ 0.0003423900000000, -0.0017765000000000, 0.0005997400000000 ] - [ 0.0001014900000000, 0.0004614000000000, -0.0001561000000000 ] - [ -0.0006612200000000, 0.0011397900000000, -0.0011588500000000 ] - [ -0.0005715600000000, 0.0006659800000000, 0.0003162600000000 ] - [ -0.0003749800000000, -0.0009664500000000, 0.0003309300000000 ] - [ 0.0001666200000000, 0.0000602800000000, -0.0002762600000000 ] - [ 0.0003136800000000, -0.0004145900000000, -0.0001379300000000 ] - [ -0.0002834300000000, 0.0003632500000000, -0.0000218200000000 ] - [ -0.0001635200000000, -0.0008876000000000, -0.0001685300000000 ] - [ 0.0003107400000000, 0.0002906800000000, -0.0009619900000000 ] - [ -0.0003481300000000, 0.0003888200000000, -0.0019993400000000 ] - [ -0.0002950300000000, -0.0000731700000000, 0.0006309900000000 ] - [ 0.0003182100000000, -0.0002928100000000, -0.0008192300000000 ] - [ -0.0000672200000000, -0.0006996300000000, -0.0008118000000000 ] - [ -0.0000836700000000, 0.0001908500000000, -0.0000920800000000 ] - [ 0.0000532300000000, 0.0000380500000000, -0.0000987600000000 ] - [ -0.0001080100000000, 0.0003393500000000, 0.0010166700000000 ] - [ 0.0001006800000000, 0.0002028500000000, -0.0000895100000000 ] - [ 0.0002758200000000, 0.0004945400000000, 0.0002158900000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004459500000000, 0.0016773100000000, 0.0005581400000000 ] - [ 0.0247968400000000, 0.0162746600000000, 0.0546094000000000 ] - [ -0.0005802700000000, 0.0004131600000000, 0.0007868100000000 ] - [ -0.0004236400000000, -0.0001293300000000, -0.0003704400000000 ] - [ -0.0000340300000000, 0.0000518100000000, -0.0005907400000000 ] - [ 0.0002543200000000, -0.0010707900000000, -0.0012788100000000 ] - [ -0.0001922700000000, -0.0012183300000000, -0.0004017600000000 ] - [ -0.0019477900000000, 0.0073995000000000, 0.0014854100000000 ] - [ -0.0003580800000000, -0.0002357600000000, -0.0003637800000000 ] - [ 0.0004582100000000, 0.0005021900000000, 0.0005733700000000 ] - [ -0.0006396000000000, -0.0006551000000000, 0.0001127600000000 ] - [ -0.0000171200000000, -0.0000083000000000, -0.0027631200000000 ] - [ -0.0021168000000000, 0.0023238000000000, 0.0066832200000000 ] - [ 0.0005605200000000, 0.0016749900000000, 0.0019103600000000 ] - [ -0.0001971000000000, -0.0003353000000000, 0.0005327400000000 ] - [ 0.0009242400000000, 0.0094347400000000, 0.0010467300000000 ] - [ 0.0003709100000000, 0.0000914200000000, -0.0006258300000000 ] - [ 0.0006452100000000, -0.0006848100000000, -0.0000904600000000 ] - [ -0.0006737900000000, 0.0007486300000000, -0.0006638000000000 ] - [ -0.0002630300000000, -0.0008234700000000, -0.0018894600000000 ] - [ 0.0001626500000000, -0.0003228400000000, 0.0008729700000000 ] - [ 0.0000396700000000, -0.0001832600000000, 0.0004522300000000 ] - [ -0.0000262300000000, -0.0001858700000000, 0.0006562100000000 ] - [ -0.0000275600000000, 0.0001553800000000, 0.0004444900000000 ] - [ -0.0003065900000000, -0.0009936700000000, -0.0022003600000000 ] - [ 0.0006801200000000, 0.0007659500000000, -0.0005595100000000 ] - [ -0.0005031400000000, -0.0008109800000000, -0.0024979500000000 ] - [ -0.0000443900000000, 0.0000053100000000, 0.0000926500000000 ] - [ 0.0000382600000000, -0.0000331700000000, -0.0001054600000000 ] - [ 0.0000403900000000, 0.0001195300000000, 0.0001586800000000 ] - [ -0.0000633500000000, 0.0001547500000000, -0.0006970000000000 ] - [ 0.0003223500000000, 0.0001667000000000, -0.0006202500000000 ] - [ 0.0046827200000000, -0.0138296200000000, 0.0103495000000000 ] - [ 0.0005715000000000, 0.0000710800000000, -0.0025646600000000 ] - [ 0.0002087300000000, 0.0003732900000000, 0.0000154500000000 ] - [ -0.0003400900000000, -0.0075737200000000, 0.0009533200000000 ] - [ 0.0001859200000000, -0.0006997200000000, -0.0008498000000000 ] - [ 0.0003157500000000, -0.0000653900000000, -0.0000396100000000 ] - [ -0.0055410800000000, -0.0016266900000000, -0.0093854500000000 ] - [ -0.0005184100000000, 0.0020121000000000, -0.0005913400000000 ] - [ 0.0133912200000000, 0.0033084400000000, -0.0153658300000000 ] - [ -0.0014601400000000, 0.0013119800000000, -0.0006666900000000 ] - [ 0.0122890800000000, -0.0024512800000000, -0.0091421000000000 ] - [ 0.0005717400000000, -0.0017534500000000, -0.0011761100000000 ] - [ 0.0000771800000000, -0.0003546500000000, -0.0012734400000000 ] - [ 0.0010968200000000, -0.0080376700000000, 0.0056230900000000 ] - [ -0.0010118700000000, 0.0023927700000000, -0.0042156300000000 ] - [ -0.0032983600000000, -0.0084974200000000, -0.0006143000000000 ] - [ -0.0002825700000000, -0.0001987600000000, -0.0008131500000000 ] - [ 0.0006914700000000, -0.0009091300000000, 0.0003931000000000 ] - [ -0.0001482900000000, 0.0017278000000000, -0.0049265100000000 ] - [ 0.0008427200000000, 0.0004308400000000, -0.0003046200000000 ] - [ -0.0030831100000000, -0.0011588900000000, -0.0062704100000000 ] - [ 0.0005896400000000, 0.0012888400000000, -0.0032591300000000 ] - [ -0.0004929100000000, -0.0001157200000000, -0.0005276900000000 ] - [ -0.0001193400000000, 0.0015141100000000, -0.0006007200000000 ] - [ 0.0004526700000000, 0.0000124500000000, -0.0005629500000000 ] - [ -0.0002835500000000, 0.0009752000000000, -0.0002811400000000 ] - [ -0.0001721900000000, -0.0005967200000000, -0.0008611600000000 ] - [ 0.0004642900000000, -0.0008632200000000, -0.0009176700000000 ] - [ -0.0001384200000000, -0.0018531700000000, -0.0018487100000000 ] - [ -0.0008005700000000, -0.0010645000000000, -0.0002815000000000 ] - [ -0.0006728300000000, 0.0012756400000000, 0.0003969300000000 ] - [ -0.0004189600000000, -0.0003237800000000, -0.0008006400000000 ] - [ 0.0003422900000000, -0.0011844600000000, -0.0002332700000000 ] - [ -0.0003083400000000, 0.0005301800000000, 0.0002058800000000 ] - [ -0.0000109200000000, 0.0010745400000000, -0.0015369700000000 ] - [ -0.0004128700000000, -0.0015632600000000, -0.0001093200000000 ] - [ -0.0001024300000000, 0.0005338800000000, 0.0003398100000000 ] - [ 0.0001805200000000, -0.0005031100000000, 0.0020810100000000 ] - [ 0.0002075100000000, 0.0009572800000000, -0.0007771100000000 ] - [ -0.0003837100000000, -0.0010140500000000, 0.0026567700000000 ] - [ -0.0003119300000000, -0.0002553900000000, -0.0008161500000000 ] - [ 0.0002092100000000, -0.0004793500000000, -0.0006482000000000 ] - [ 0.0006840200000000, 0.0015566900000000, 0.0023130500000000 ] - [ 0.0009258100000000, -0.0012227300000000, 0.0001348500000000 ] - [ 0.0002801000000000, -0.0009632200000000, 0.0012489300000000 ] - [ 0.0001563700000000, 0.0001007900000000, 0.0003791100000000 ] - [ -0.0143698400000000, -0.0105519600000000, -0.0049690900000000 ] - [ -0.0004652100000000, 0.0012234700000000, -0.0012247600000000 ] - [ 0.0000957700000000, 0.0019781500000000, 0.0007577600000000 ] - [ -0.0011750400000000, 0.0037144500000000, -0.0053092000000000 ] - [ 0.0008555900000000, 0.0027529700000000, -0.0015595900000000 ] - [ -0.0154774900000000, -0.0078183200000000, -0.0065785400000000 ] - [ 0.0010743200000000, 0.0010984300000000, -0.0067542100000000 ] - [ -0.0017137600000000, -0.0012077900000000, -0.0023113100000000 ] - [ 0.0003134200000000, 0.0004812900000000, 0.0008427300000000 ] - [ -0.0003928700000000, 0.0011819600000000, -0.0007838900000000 ] - [ -0.0039796300000000, -0.0018813600000000, -0.0018394900000000 ] - [ 0.0000137600000000, -0.0011673300000000, 0.0002508700000000 ] - [ -0.0006213600000000, -0.0005693000000000, 0.0000767400000000 ] - [ 0.0001216000000000, 0.0005364400000000, 0.0002664800000000 ] - [ 0.0005757200000000, -0.0006653300000000, 0.0004167900000000 ] - [ 0.0012439700000000, 0.0013771200000000, -0.0014216300000000 ] - [ -0.0009221000000000, -0.0006211100000000, -0.0003526800000000 ] - [ -0.0003429100000000, 0.0003029400000000, -0.0001203100000000 ] - [ 0.0000122000000000, -0.0008686300000000, -0.0000162500000000 ] - [ 0.0002412300000000, -0.0004133900000000, -0.0031778300000000 ] - [ -0.0002214200000000, 0.0050039300000000, -0.0053418700000000 ] - [ -0.0002767100000000, 0.0005640500000000, 0.0001845400000000 ] - [ -0.0002136300000000, -0.0002599600000000, 0.0020652600000000 ] - [ 0.0004190600000000, -0.0002695900000000, 0.0010064500000000 ] - [ -0.0011297200000000, -0.0026830700000000, 0.0030402100000000 ] - [ -0.0008039000000000, 0.0005520300000000, -0.0003584200000000 ] - [ -0.0006170400000000, 0.0010333200000000, 0.0018296100000000 ] - [ 0.0002913000000000, -0.0000593400000000, 0.0006346400000000 ] - [ 0.0005457100000000, -0.0002241500000000, -0.0006809700000000 ] - [ 0.0003465600000000, -0.0000819200000000, 0.0012965600000000 ] - [ -0.0002878100000000, 0.0000745700000000, 0.0003059900000000 ] - [ 0.0000807500000000, -0.0001936500000000, 0.0001912900000000 ] - [ -0.0000630500000000, 0.0017630900000000, -0.0043697300000000 ] - [ -0.0003178400000000, 0.0003343200000000, -0.0009575000000000 ] - [ -0.0020568000000000, -0.0029139500000000, 0.0041868700000000 ] - [ 0.0007363300000000, -0.0004737900000000, -0.0083747700000000 ] - [ -0.0002713200000000, 0.0000020000000000, -0.0001638500000000 ] - [ 0.0003297200000000, 0.0017245100000000, 0.0003146200000000 ] - [ 0.0002991600000000, -0.0004193000000000, 0.0012429200000000 ] - [ -0.0003528500000000, 0.0007114700000000, 0.0026585400000000 ] - [ -0.0003129800000000, 0.0015260800000000, 0.0025195700000000 ] - [ -0.0021246500000000, 0.0047086100000000, -0.0012983000000000 ] - [ 0.0003240500000000, -0.0015387100000000, 0.0006117400000000 ] - [ -0.0002296000000000, 0.0002210800000000, 0.0009632000000000 ] - [ -0.0001647300000000, -0.0003638100000000, 0.0012119900000000 ] - [ -0.0003661600000000, -0.0018875300000000, 0.0007983500000000 ] - [ -0.0000821500000000, 0.0003131400000000, -0.0000034400000000 ] - [ 0.0000257500000000, -0.0003226100000000, 0.0005745000000000 ] - [ 0.0002775400000000, 0.0004504200000000, -0.0000355900000000 ] - [ -0.0004705700000000, 0.0009148800000000, 0.0003345200000000 ] - [ -0.0003772000000000, -0.0001862500000000, 0.0013341100000000 ] - [ 0.0004651100000000, -0.0005346400000000, 0.0000827100000000 ] - [ 0.0001672700000000, 0.0000198800000000, 0.0001180500000000 ] - [ 0.0002147300000000, -0.0002809700000000, 0.0002601000000000 ] - [ -0.0002806300000000, -0.0000192100000000, 0.0004568100000000 ] - [ -0.0000818700000000, 0.0001282400000000, -0.0001814200000000 ] - [ -0.0003127400000000, -0.0003706300000000, -0.0001305400000000 ] - [ 0.0000676400000000, 0.0000726400000000, 0.0011103400000000 ] - [ 0.0001003800000000, -0.0001058500000000, 0.0000487200000000 ] - [ -0.0001450400000000, -0.0000437000000000, 0.0001638600000000 ] - [ 0.0009112100000000, 0.0006584800000000, -0.0001611700000000 ] - [ 0.0005725200000000, 0.0007145700000000, 0.0003204500000000 ] - [ 0.0004436900000000, 0.0009604700000000, 0.0004972800000000 ] - [ 0.0003832600000000, 0.0002980400000000, -0.0000180100000000 ] - [ 0.0000959400000000, 0.0043128800000000, 0.0024577000000000 ] - [ -0.0000544700000000, 0.0000612200000000, -0.0001026900000000 ] - [ -0.0000993900000000, 0.0002334200000000, -0.0000870300000000 ] - [ -0.0001014300000000, -0.0005795200000000, -0.0003038900000000 ] - [ -0.0006864600000000, -0.0011568100000000, 0.0008514300000000 ] - [ -0.0000795900000000, 0.0016541700000000, 0.0021587500000000 ] - [ 0.0005420300000000, -0.0007795200000000, -0.0007757300000000 ] - [ 0.0008356200000000, -0.0004959400000000, -0.0001641300000000 ] - [ -0.0006557200000000, -0.0009794200000000, 0.0007708300000000 ] - [ -0.0005400200000000, 0.0010858300000000, 0.0020944300000000 ] - [ -0.0001300600000000, -0.0008235800000000, 0.0004342500000000 ] - [ 0.0001125400000000, 0.0003810300000000, 0.0010179600000000 ] - [ -0.0001328000000000, 0.0005386400000000, 0.0003325200000000 ] - [ -0.0001723100000000, -0.0009090000000000, 0.0020749800000000 ] - [ 0.0000537800000000, -0.0000373100000000, 0.0008458900000000 ] - [ 0.0005712200000000, -0.0000191800000000, 0.0002722800000000 ] - [ 0.0000893000000000, 0.0002441800000000, -0.0001092000000000 ] - [ -0.0010824100000000, 0.0000164300000000, 0.0006510800000000 ] - [ -0.0005608400000000, 0.0006573600000000, 0.0001976000000000 ] - [ 0.0009619000000000, 0.0005476200000000, 0.0010161000000000 ] - [ 0.0000856800000000, -0.0004741300000000, -0.0000052100000000 ] - [ 0.0003100800000000, -0.0004354800000000, -0.0002344800000000 ] - [ -0.0003410700000000, 0.0004905200000000, -0.0003527500000000 ] - [ 0.0004120600000000, -0.0001478400000000, 0.0007611700000000 ] - [ 0.0003323600000000, 0.0002673700000000, -0.0003299300000000 ] - [ -0.0002941200000000, 0.0001638900000000, 0.0007112600000000 ] - [ -0.0003024200000000, -0.0003315600000000, 0.0006557700000000 ] - [ 0.0003245800000000, -0.0002631300000000, -0.0004723000000000 ] - [ -0.0006522800000000, 0.0001267300000000, 0.0006711200000000 ] - [ -0.0001071600000000, 0.0005144500000000, -0.0001715700000000 ] - [ -0.0000536000000000, -0.0000376400000000, -0.0002876900000000 ] - [ -0.0000693100000000, 0.0003574400000000, 0.0007357100000000 ] - [ 0.0001517300000000, 0.0002104200000000, -0.0001897300000000 ] - [ 0.0002787200000000, 0.0006488800000000, 0.0003083800000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004015000000000, 0.0000617200000000, -0.0004841700000000 ] - [ 0.0006188100000000, -0.0004884300000000, 0.0000852500000000 ] - [ -0.0008999400000000, 0.0003819900000000, 0.0000340300000000 ] - [ 0.0000246100000000, -0.0002243800000000, -0.0008025000000000 ] - [ -0.0561651800000000, -0.0199181600000000, -0.0000346600000000 ] - [ -0.0042344400000000, 0.0026879300000000, -0.0013020000000000 ] - [ 0.0017976200000000, 0.0003685400000000, -0.0000873400000000 ] - [ -0.0003323900000000, 0.0002233000000000, 0.0005359900000000 ] - [ -0.0006880800000000, -0.0003572400000000, -0.0007096700000000 ] - [ 0.0006388700000000, 0.0007161700000000, 0.0000136400000000 ] - [ -0.0006345900000000, -0.0006737200000000, -0.0000099200000000 ] - [ -0.0008639800000000, 0.0004900700000000, -0.0000851900000000 ] - [ 0.0001003900000000, 0.0002060800000000, 0.0000674400000000 ] - [ 0.0007341300000000, 0.0002663400000000, 0.0001567100000000 ] - [ 0.0002310100000000, -0.0002602700000000, -0.0001437500000000 ] - [ 0.0003493900000000, 0.0001615500000000, -0.0004781600000000 ] - [ 0.0018078100000000, 0.0003708900000000, -0.0000218600000000 ] - [ 0.0002488500000000, -0.0002097800000000, -0.0001126200000000 ] - [ -0.0006425700000000, 0.0007260100000000, 0.0000074900000000 ] - [ -0.0003380100000000, 0.0000950900000000, -0.0004883100000000 ] - [ 0.0000462800000000, 0.0000595600000000, 0.0000001600000000 ] - [ -0.0000106700000000, 0.0000518400000000, 0.0003306900000000 ] - [ 0.0000098700000000, 0.0000566800000000, 0.0005707300000000 ] - [ -0.0000200400000000, 0.0000936400000000, 0.0005295400000000 ] - [ -0.0004079800000000, 0.0000131500000000, -0.0004762200000000 ] - [ 0.0199482900000000, -0.0056998300000000, 0.0021673900000000 ] - [ -0.0001452800000000, -0.0008059500000000, -0.0001466400000000 ] - [ -0.0000578600000000, -0.0000241900000000, -0.0000271200000000 ] - [ 0.0002158600000000, 0.0003299400000000, 0.0001059800000000 ] - [ 0.0000220700000000, 0.0001038700000000, 0.0002785900000000 ] - [ -0.0000350600000000, 0.0000824100000000, -0.0000088400000000 ] - [ -0.0012224000000000, -0.0010910400000000, -0.0009587600000000 ] - [ -0.0002906400000000, 0.0000409000000000, -0.0003601200000000 ] - [ 0.0022730000000000, 0.0173796300000000, -0.0062447900000000 ] - [ 0.0005592000000000, -0.0007514000000000, -0.0003998600000000 ] - [ 0.0009610700000000, 0.0008003300000000, -0.0000661300000000 ] - [ 0.0003128300000000, -0.0006079000000000, -0.0008993800000000 ] - [ 0.0003200400000000, -0.0003528800000000, -0.0000228000000000 ] - [ -0.0004819600000000, 0.0001671100000000, -0.0009815100000000 ] - [ -0.0001864300000000, 0.0007584500000000, -0.0008493000000000 ] - [ 0.0003524100000000, -0.0002758400000000, 0.0000072900000000 ] - [ 0.0002857800000000, -0.0020403700000000, -0.0044663100000000 ] - [ -0.0001239800000000, -0.0001183400000000, -0.0011587500000000 ] - [ 0.0083470700000000, -0.0018053000000000, 0.0061010800000000 ] - [ -0.0022791300000000, -0.0024226700000000, -0.0047799000000000 ] - [ -0.0006387800000000, -0.0001766700000000, 0.0013138100000000 ] - [ 0.0023357900000000, -0.0113859400000000, 0.0086338900000000 ] - [ -0.0002914200000000, 0.0002737700000000, -0.0004073000000000 ] - [ -0.0070974100000000, 0.0165921700000000, -0.0075291600000000 ] - [ 0.0007433900000000, -0.0008417200000000, 0.0000248700000000 ] - [ 0.0002232900000000, 0.0003251200000000, -0.0004956900000000 ] - [ 0.0007043300000000, 0.0012484700000000, 0.0001382500000000 ] - [ 0.0001876300000000, -0.0002140200000000, -0.0009288500000000 ] - [ 0.0003387600000000, 0.0000255200000000, -0.0005009000000000 ] - [ -0.0004782700000000, 0.0000332900000000, -0.0003716300000000 ] - [ -0.0019220000000000, 0.0053141600000000, 0.0066708200000000 ] - [ 0.0004459700000000, 0.0002633100000000, -0.0007200700000000 ] - [ -0.0004726600000000, 0.0001606200000000, -0.0005406300000000 ] - [ -0.0001794800000000, -0.0007291200000000, -0.0007451900000000 ] - [ 0.0004677400000000, 0.0001588900000000, -0.0005092600000000 ] - [ 0.0001875000000000, 0.0007541900000000, -0.0008141700000000 ] - [ -0.0007369300000000, -0.0007447400000000, 0.0000913200000000 ] - [ -0.0007508700000000, 0.0010629200000000, -0.0000325700000000 ] - [ 0.0020341700000000, -0.0056817900000000, 0.0014040700000000 ] - [ 0.0002801500000000, -0.0006891600000000, 0.0002260900000000 ] - [ -0.0000738400000000, 0.0003695800000000, 0.0009736400000000 ] - [ -0.0001541100000000, -0.0003403100000000, 0.0009767200000000 ] - [ -0.0003839800000000, 0.0001507800000000, 0.0011826300000000 ] - [ -0.0029058100000000, -0.0005607900000000, 0.0001784700000000 ] - [ 0.0031299900000000, -0.0025675100000000, -0.0025947200000000 ] - [ 0.0002854200000000, 0.0006980200000000, -0.0006683800000000 ] - [ -0.0004525700000000, 0.0008328600000000, 0.0005643000000000 ] - [ -0.0002635500000000, -0.0001407800000000, -0.0005723300000000 ] - [ 0.0003696500000000, -0.0003389600000000, -0.0000653200000000 ] - [ -0.0000353900000000, 0.0001133400000000, 0.0003510100000000 ] - [ 0.0006697400000000, 0.0000704900000000, 0.0003228200000000 ] - [ -0.0002924200000000, 0.0001339900000000, 0.0006443000000000 ] - [ 0.0008564100000000, 0.0001143300000000, 0.0028938900000000 ] - [ -0.0003454700000000, -0.0005936200000000, -0.0002016100000000 ] - [ 0.0004196300000000, -0.0000412700000000, 0.0008985200000000 ] - [ -0.0008807100000000, -0.0015223400000000, -0.0021371500000000 ] - [ 0.0000417600000000, -0.0001984700000000, -0.0000103400000000 ] - [ 0.0009030100000000, 0.0005396900000000, -0.0002652700000000 ] - [ 0.0005644000000000, 0.0005446500000000, 0.0002204800000000 ] - [ 0.0004779600000000, 0.0009460000000000, 0.0002844700000000 ] - [ 0.0002968900000000, 0.0001639700000000, -0.0000311800000000 ] - [ 0.0009465400000000, 0.0000702100000000, 0.0041648100000000 ] - [ -0.0006470900000000, -0.0001026100000000, -0.0003538700000000 ] - [ -0.0003820400000000, 0.0000959600000000, -0.0003687500000000 ] - [ -0.0008170200000000, -0.0015042200000000, 0.0031863600000000 ] - [ -0.0005153400000000, -0.0004258600000000, 0.0000765200000000 ] - [ 0.0000384300000000, 0.0004512800000000, 0.0003418500000000 ] - [ 0.0179358000000000, 0.0049561600000000, -0.0022849400000000 ] - [ 0.0008426600000000, -0.0006309800000000, -0.0002720400000000 ] - [ -0.0006999700000000, -0.0004092800000000, -0.0002871600000000 ] - [ -0.0002989300000000, 0.0002502500000000, -0.0000305500000000 ] - [ -0.0001342200000000, -0.0005815900000000, 0.0003103900000000 ] - [ 0.0001179700000000, 0.0001930500000000, 0.0009586400000000 ] - [ -0.0000492200000000, 0.0003784300000000, 0.0003358800000000 ] - [ -0.0002814100000000, 0.0005365500000000, 0.0002732900000000 ] - [ -0.0064420200000000, -0.0015407700000000, 0.0010887700000000 ] - [ -0.0017000700000000, 0.0019456800000000, 0.0007944400000000 ] - [ 0.0001507200000000, 0.0014493500000000, -0.0008073100000000 ] - [ -0.0010185700000000, 0.0007398300000000, -0.0003147600000000 ] - [ -0.0006178900000000, 0.0004138500000000, 0.0002297500000000 ] - [ 0.0002133300000000, 0.0002062300000000, 0.0007277600000000 ] - [ -0.0003709500000000, 0.0000964300000000, 0.0001576600000000 ] - [ -0.0001351100000000, 0.0016331100000000, -0.0010403200000000 ] - [ 0.0168981800000000, 0.0035286700000000, -0.0035433200000000 ] - [ 0.0010686700000000, 0.0003197100000000, 0.0000943200000000 ] - [ 0.0003119500000000, 0.0002164700000000, -0.0006622400000000 ] - [ -0.0004175000000000, 0.0005039000000000, -0.0004696000000000 ] - [ -0.0003059100000000, -0.0003936900000000, 0.0007019300000000 ] - [ 0.0003248700000000, -0.0003405300000000, -0.0007101200000000 ] - [ -0.0009674900000000, 0.0002368100000000, -0.0000080800000000 ] - [ -0.0000339200000000, 0.0000942200000000, 0.0001836500000000 ] - [ 0.0046204100000000, -0.0007623700000000, -0.0004411900000000 ] - [ 0.0006890500000000, -0.0025784300000000, 0.0000759900000000 ] - [ 0.0003492200000000, 0.0008346800000000, -0.0000305900000000 ] - [ 0.0002774200000000, -0.0001678700000000, 0.0003866200000000 ] - [ 0.0003808300000000, 0.0003392300000000, -0.0021004500000000 ] - [ -0.0002768500000000, -0.0006910600000000, 0.0002016600000000 ] - [ -0.0000996800000000, -0.0004519800000000, 0.0008929300000000 ] - [ -0.0004479000000000, -0.0010279500000000, 0.0003976000000000 ] - [ -0.0001648700000000, -0.0000251900000000, 0.0001405600000000 ] - [ 0.0000907800000000, -0.0003890100000000, 0.0008699000000000 ] - [ 0.0003079600000000, 0.0003391500000000, -0.0001800000000000 ] - [ -0.0004652900000000, 0.0009579800000000, 0.0003260600000000 ] - [ -0.0002988100000000, -0.0002224700000000, -0.0006045900000000 ] - [ 0.0031362800000000, -0.0001831300000000, 0.0030817400000000 ] - [ 0.0001322400000000, -0.0000636600000000, 0.0000932500000000 ] - [ 0.0001752800000000, -0.0000420200000000, 0.0001597500000000 ] - [ -0.0000090100000000, -0.0003572500000000, 0.0007125700000000 ] - [ -0.0001277400000000, -0.0002499200000000, -0.0001458400000000 ] - [ -0.0003479100000000, -0.0007136900000000, -0.0002647500000000 ] - [ 0.0000343500000000, -0.0000676300000000, 0.0009603300000000 ] - [ 0.0000986900000000, -0.0004414400000000, -0.0001725000000000 ] - [ -0.0001070000000000, -0.0001091000000000, 0.0001611100000000 ] - [ 0.0055106200000000, 0.0018183000000000, -0.0004652400000000 ] - [ 0.0004454900000000, 0.0011321400000000, 0.0000607700000000 ] - [ 0.0007655500000000, 0.0008271400000000, 0.0006671500000000 ] - [ 0.0002139800000000, 0.0004251100000000, -0.0001817100000000 ] - [ 0.0002939800000000, 0.0001248400000000, 0.0006106200000000 ] - [ -0.0000432300000000, -0.0000607100000000, -0.0002207100000000 ] - [ -0.0000959100000000, 0.0001015400000000, -0.0000152100000000 ] - [ -0.0001067800000000, -0.0004198200000000, -0.0001283700000000 ] - [ -0.0005690800000000, -0.0007119000000000, 0.0002816900000000 ] - [ -0.0000077000000000, 0.0004643900000000, 0.0001846400000000 ] - [ 0.0005673800000000, -0.0007315100000000, 0.0002583800000000 ] - [ -0.0022038200000000, -0.0021563000000000, 0.0000594400000000 ] - [ -0.0008154000000000, -0.0006119700000000, -0.0002431300000000 ] - [ -0.0002405200000000, 0.0001881100000000, -0.0000874800000000 ] - [ -0.0016227300000000, -0.0007242900000000, -0.0010339200000000 ] - [ 0.0000712200000000, 0.0002836200000000, 0.0008687000000000 ] - [ 0.0000639800000000, 0.0005769800000000, 0.0001596200000000 ] - [ -0.0004013800000000, 0.0001959300000000, 0.0005037200000000 ] - [ -0.0000095700000000, -0.0000272100000000, 0.0009837100000000 ] - [ 0.0004554300000000, -0.0010156800000000, 0.0003778200000000 ] - [ 0.0000921700000000, 0.0002233600000000, -0.0000433400000000 ] - [ -0.0009280700000000, 0.0005106500000000, -0.0002401000000000 ] - [ -0.0005814300000000, 0.0007935000000000, 0.0002526600000000 ] - [ 0.0002955800000000, -0.0003098700000000, 0.0006410100000000 ] - [ 0.0001189900000000, -0.0002569000000000, -0.0001206200000000 ] - [ 0.0003169900000000, -0.0004485200000000, -0.0001655000000000 ] - [ -0.0003085300000000, 0.0003643900000000, -0.0001727000000000 ] - [ 0.0001328800000000, -0.0005687900000000, 0.0002991100000000 ] - [ -0.0011174600000000, 0.0027862400000000, -0.0008891300000000 ] - [ -0.0003037000000000, 0.0002102700000000, -0.0006280500000000 ] - [ -0.0003493900000000, 0.0000211100000000, 0.0004541300000000 ] - [ 0.0013322300000000, -0.0029781500000000, -0.0017155500000000 ] - [ -0.0003680900000000, -0.0003326600000000, -0.0000776200000000 ] - [ -0.0000772000000000, 0.0003025100000000, -0.0001949100000000 ] - [ 0.0000158900000000, -0.0000276700000000, -0.0001745400000000 ] - [ -0.0000835900000000, 0.0003237400000000, 0.0008720400000000 ] - [ 0.0001460400000000, 0.0001980800000000, -0.0002010100000000 ] - [ 0.0002792400000000, 0.0005081000000000, 0.0002324000000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003367100000000, -0.0001610600000000, -0.0005001900000000 ] - [ 0.0006721100000000, -0.0008048700000000, -0.0000619900000000 ] - [ -0.0003915100000000, 0.0009102400000000, -0.0000103000000000 ] - [ -0.0007631100000000, 0.0003269100000000, -0.0001776600000000 ] - [ 0.0560381200000000, 0.0196504000000000, -0.0000814900000000 ] - [ 0.0042266900000000, -0.0027372100000000, 0.0019120200000000 ] - [ -0.0017918400000000, -0.0003601900000000, 0.0012014000000000 ] - [ 0.0003323500000000, -0.0002259700000000, 0.0005657600000000 ] - [ -0.0000497100000000, 0.0002618700000000, -0.0002729000000000 ] - [ 0.0006524500000000, 0.0005766100000000, 0.0000110800000000 ] - [ -0.0006566700000000, -0.0006166100000000, 0.0000366500000000 ] - [ 0.0007800300000000, -0.0004575300000000, 0.0000713700000000 ] - [ -0.0000216200000000, -0.0001809600000000, -0.0000843000000000 ] - [ -0.0007318600000000, -0.0002686100000000, 0.0004465200000000 ] - [ -0.0003103100000000, 0.0002323800000000, 0.0001277400000000 ] - [ 0.0003884900000000, -0.0000628700000000, -0.0005063400000000 ] - [ -0.0010650400000000, -0.0004795800000000, -0.0009743500000000 ] - [ 0.0010428000000000, -0.0010838000000000, 0.0001362900000000 ] - [ -0.0006486700000000, 0.0005665000000000, 0.0000175100000000 ] - [ -0.0003991300000000, 0.0000038400000000, -0.0004956900000000 ] - [ 0.0000326400000000, -0.0000852100000000, -0.0000148000000000 ] - [ 0.0000106600000000, -0.0000510400000000, 0.0002796900000000 ] - [ -0.0000100600000000, -0.0000557600000000, 0.0005358600000000 ] - [ 0.0000198800000000, -0.0000937500000000, 0.0005774600000000 ] - [ -0.0003303300000000, -0.0001113500000000, -0.0005078100000000 ] - [ -0.0186584800000000, 0.0069599600000000, -0.0021500200000000 ] - [ -0.0011434500000000, -0.0004843000000000, 0.0001719500000000 ] - [ -0.0000207300000000, 0.0000520900000000, 0.0000134800000000 ] - [ -0.0001365100000000, -0.0003066300000000, -0.0001213900000000 ] - [ -0.0000218700000000, -0.0001040300000000, 0.0003322000000000 ] - [ -0.0000441000000000, -0.0001083100000000, -0.0000055600000000 ] - [ 0.0019274400000000, 0.0012441600000000, -0.0000422800000000 ] - [ -0.0003313200000000, -0.0001666700000000, -0.0005009500000000 ] - [ -0.0007537000000000, -0.0190663600000000, 0.0062645600000000 ] - [ 0.0000645300000000, 0.0008795500000000, -0.0004597000000000 ] - [ 0.0005342400000000, 0.0010576300000000, 0.0001506700000000 ] - [ 0.0000413300000000, -0.0006105300000000, -0.0008240400000000 ] - [ 0.0003006600000000, 0.0002342100000000, -0.0008222400000000 ] - [ -0.0004736200000000, -0.0001736500000000, -0.0001279200000000 ] - [ -0.0001680300000000, 0.0004593600000000, -0.0008768700000000 ] - [ 0.0006048200000000, 0.0002795600000000, -0.0011227900000000 ] - [ -0.0012666900000000, 0.0020185700000000, 0.0033193200000000 ] - [ -0.0002312900000000, -0.0011030800000000, -0.0005635700000000 ] - [ -0.0075170300000000, 0.0018523700000000, -0.0071595300000000 ] - [ 0.0026729300000000, 0.0036610900000000, 0.0030608600000000 ] - [ -0.0008575600000000, -0.0016933300000000, -0.0012403200000000 ] - [ -0.0038125300000000, 0.0132947200000000, -0.0085331900000000 ] - [ -0.0003303200000000, -0.0001463300000000, -0.0004539700000000 ] - [ 0.0065279800000000, -0.0168460900000000, 0.0067166100000000 ] - [ 0.0007514200000000, -0.0010169800000000, 0.0000640000000000 ] - [ 0.0003981500000000, -0.0001966200000000, -0.0003621900000000 ] - [ 0.0007905000000000, 0.0006108700000000, -0.0000515400000000 ] - [ 0.0001665800000000, -0.0009991200000000, -0.0008003800000000 ] - [ 0.0002827100000000, -0.0001523200000000, -0.0003579000000000 ] - [ -0.0004779300000000, -0.0000307000000000, -0.0007453300000000 ] - [ 0.0017075800000000, -0.0041583400000000, -0.0084031500000000 ] - [ 0.0005099600000000, -0.0002662800000000, -0.0003913000000000 ] - [ -0.0004832400000000, -0.0001575200000000, -0.0005720800000000 ] - [ -0.0001783800000000, -0.0004854100000000, -0.0009841500000000 ] - [ 0.0004882600000000, -0.0001552700000000, -0.0006037000000000 ] - [ 0.0001669700000000, 0.0004641200000000, -0.0009123000000000 ] - [ -0.0007579200000000, -0.0011139000000000, -0.0000044100000000 ] - [ -0.0007438000000000, 0.0007972500000000, 0.0001216800000000 ] - [ -0.0026888800000000, 0.0057761500000000, -0.0022384900000000 ] - [ 0.0002742900000000, -0.0004534700000000, 0.0002978500000000 ] - [ -0.0004834500000000, -0.0015145900000000, -0.0004512100000000 ] - [ -0.0000231900000000, -0.0003542800000000, 0.0007777800000000 ] - [ -0.0005286700000000, -0.0019457200000000, -0.0003128900000000 ] - [ 0.0026213500000000, 0.0006282800000000, 0.0000495300000000 ] - [ -0.0029696700000000, 0.0020724600000000, 0.0043459500000000 ] - [ 0.0003387900000000, 0.0001521500000000, 0.0003017800000000 ] - [ -0.0004631200000000, 0.0009708700000000, 0.0002989000000000 ] - [ -0.0003792100000000, -0.0004174800000000, -0.0007195900000000 ] - [ 0.0003497600000000, -0.0002320800000000, -0.0000781900000000 ] - [ 0.0003387000000000, -0.0001718600000000, -0.0000768700000000 ] - [ -0.0003609900000000, -0.0000085000000000, -0.0000460700000000 ] - [ -0.0003049700000000, 0.0002710600000000, 0.0006416000000000 ] - [ -0.0010321400000000, -0.0005130500000000, -0.0029361400000000 ] - [ -0.0002783900000000, -0.0002541000000000, -0.0001691600000000 ] - [ -0.0004226400000000, 0.0000426300000000, 0.0010550300000000 ] - [ 0.0010859000000000, 0.0008306400000000, 0.0018949900000000 ] - [ -0.0003467900000000, 0.0001386600000000, 0.0002869400000000 ] - [ 0.0008395300000000, 0.0006207000000000, -0.0002450400000000 ] - [ 0.0005679600000000, 0.0007787300000000, 0.0002936900000000 ] - [ 0.0004378300000000, 0.0008546900000000, 0.0005820100000000 ] - [ 0.0004230000000000, 0.0004079500000000, -0.0001126900000000 ] - [ -0.0003524300000000, 0.0003386300000000, -0.0028941800000000 ] - [ 0.0006521300000000, 0.0001035500000000, -0.0000312200000000 ] - [ 0.0001298400000000, 0.0003155000000000, 0.0000910000000000 ] - [ 0.0006230000000000, 0.0007956000000000, -0.0034346900000000 ] - [ -0.0006147600000000, -0.0008950300000000, 0.0004330300000000 ] - [ 0.0002093400000000, 0.0005846400000000, 0.0002464400000000 ] - [ -0.0175761800000000, -0.0069232000000000, 0.0030900300000000 ] - [ 0.0009000900000000, -0.0005297700000000, -0.0002380400000000 ] - [ -0.0010392800000000, -0.0007515700000000, -0.0002246000000000 ] - [ -0.0004196600000000, 0.0003202800000000, -0.0001145100000000 ] - [ -0.0001138600000000, -0.0004543100000000, 0.0002788900000000 ] - [ 0.0000603300000000, 0.0005048400000000, 0.0007972300000000 ] - [ -0.0001994500000000, 0.0006587700000000, 0.0002528500000000 ] - [ -0.0002736800000000, 0.0006059300000000, 0.0002500600000000 ] - [ 0.0064233700000000, 0.0015252900000000, 0.0008669100000000 ] - [ 0.0026259100000000, -0.0037547600000000, 0.0000381200000000 ] - [ 0.0000410300000000, -0.0007517500000000, 0.0005482500000000 ] - [ -0.0007315600000000, 0.0004198500000000, -0.0001975700000000 ] - [ -0.0005151100000000, 0.0009067300000000, 0.0002827000000000 ] - [ 0.0003871400000000, -0.0006088000000000, 0.0005569800000000 ] - [ 0.0006142300000000, -0.0005039200000000, -0.0004342000000000 ] - [ 0.0007582300000000, -0.0024746300000000, 0.0006660300000000 ] - [ -0.0165842200000000, -0.0021507900000000, 0.0028281600000000 ] - [ -0.0008252400000000, -0.0013621600000000, 0.0004979500000000 ] - [ 0.0003307900000000, 0.0003403700000000, -0.0006280200000000 ] - [ -0.0002253800000000, 0.0000520100000000, -0.0008205400000000 ] - [ -0.0002914100000000, -0.0000105200000000, 0.0005830400000000 ] - [ 0.0003178100000000, -0.0002160900000000, -0.0005803200000000 ] - [ 0.0002558600000000, -0.0008128900000000, -0.0001349100000000 ] - [ -0.0001600200000000, 0.0006153600000000, -0.0004463600000000 ] - [ -0.0046018300000000, 0.0007501900000000, 0.0000599400000000 ] - [ -0.0008593700000000, 0.0032495800000000, 0.0016649700000000 ] - [ -0.0000937100000000, -0.0004233900000000, -0.0002531200000000 ] - [ 0.0002772100000000, 0.0013178700000000, 0.0001373400000000 ] - [ 0.0001004100000000, -0.0014202100000000, 0.0025844800000000 ] - [ -0.0002777500000000, -0.0004518500000000, 0.0003228300000000 ] - [ -0.0000775100000000, -0.0002436700000000, 0.0008595000000000 ] - [ -0.0004679200000000, -0.0007748000000000, 0.0004666000000000 ] - [ -0.0001397800000000, 0.0000840300000000, 0.0001346900000000 ] - [ 0.0000860400000000, -0.0003074400000000, 0.0008826300000000 ] - [ 0.0003156200000000, 0.0005116700000000, -0.0001927200000000 ] - [ -0.0004514800000000, 0.0008355000000000, 0.0005395200000000 ] - [ -0.0003438400000000, -0.0003346000000000, -0.0006868600000000 ] - [ -0.0024168800000000, -0.0003702200000000, -0.0032278500000000 ] - [ 0.0001720600000000, 0.0000028500000000, 0.0001821200000000 ] - [ 0.0001294500000000, 0.0001015400000000, 0.0001154500000000 ] - [ -0.0006070600000000, 0.0007536300000000, 0.0005471300000000 ] - [ -0.0001252900000000, -0.0001630500000000, -0.0001340800000000 ] - [ -0.0002757100000000, -0.0001367100000000, -0.0001068900000000 ] - [ -0.0000344200000000, 0.0000679100000000, 0.0009915500000000 ] - [ 0.0000920200000000, -0.0002638700000000, -0.0000915300000000 ] - [ -0.0001977000000000, 0.0000499500000000, 0.0001136800000000 ] - [ -0.0037764000000000, -0.0006315000000000, -0.0000647800000000 ] - [ 0.0006912800000000, 0.0001957000000000, 0.0004496400000000 ] - [ 0.0001474500000000, 0.0009781500000000, 0.0001950700000000 ] - [ 0.0005062300000000, 0.0001477200000000, 0.0000410900000000 ] - [ 0.0003033800000000, 0.0002799500000000, 0.0006759200000000 ] - [ 0.0000432500000000, 0.0000609300000000, -0.0001644700000000 ] - [ -0.0001572300000000, 0.0003117800000000, -0.0002656400000000 ] - [ -0.0000838200000000, -0.0002853100000000, -0.0001359000000000 ] - [ -0.0005629900000000, -0.0006114100000000, 0.0002316400000000 ] - [ 0.0002555600000000, 0.0005703700000000, 0.0004048900000000 ] - [ 0.0005648000000000, -0.0005914700000000, 0.0002552000000000 ] - [ 0.0039376500000000, 0.0009992200000000, -0.0005726200000000 ] - [ -0.0009271400000000, -0.0005483200000000, -0.0002677100000000 ] - [ -0.0004780400000000, 0.0003814800000000, -0.0000559300000000 ] - [ 0.0013513500000000, -0.0003125700000000, 0.0016610800000000 ] - [ 0.0001060400000000, 0.0004124500000000, 0.0008837200000000 ] - [ -0.0003093800000000, 0.0004619400000000, 0.0004339700000000 ] - [ -0.0001545300000000, 0.0009399700000000, 0.0000245700000000 ] - [ 0.0000093600000000, 0.0000269000000000, 0.0009678200000000 ] - [ 0.0004599400000000, -0.0007876500000000, 0.0004869200000000 ] - [ 0.0000985000000000, 0.0004820300000000, -0.0002216700000000 ] - [ -0.0008151600000000, 0.0006499500000000, -0.0002705200000000 ] - [ -0.0005509600000000, 0.0005276600000000, 0.0002601700000000 ] - [ 0.0003017500000000, -0.0000964600000000, 0.0006465000000000 ] - [ 0.0001337000000000, -0.0001559200000000, -0.0001593000000000 ] - [ 0.0003069000000000, -0.0004032900000000, -0.0002072200000000 ] - [ -0.0003150600000000, 0.0004863300000000, -0.0002004000000000 ] - [ 0.0001154100000000, -0.0004672900000000, 0.0002905900000000 ] - [ 0.0017779300000000, -0.0022010800000000, -0.0004034500000000 ] - [ -0.0003390200000000, 0.0003460200000000, -0.0006628200000000 ] - [ -0.0002450500000000, -0.0004289800000000, 0.0008323100000000 ] - [ -0.0007001900000000, 0.0024365600000000, 0.0004302200000000 ] - [ -0.0003512000000000, -0.0002386000000000, -0.0000660700000000 ] - [ -0.0001132900000000, 0.0004011800000000, -0.0000680800000000 ] - [ -0.0000159300000000, 0.0000273500000000, -0.0002109200000000 ] - [ -0.0000933200000000, 0.0003714800000000, 0.0008795800000000 ] - [ 0.0001072800000000, 0.0002138800000000, -0.0000783900000000 ] - [ 0.0002759200000000, 0.0006328100000000, 0.0002932900000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004079600000000, 0.0007304500000000, -0.0004388200000000 ] - [ 0.0006899900000000, -0.0004568000000000, -0.0000547800000000 ] - [ -0.0010175000000000, -0.0005478200000000, -0.0000091300000000 ] - [ -0.0002611400000000, -0.0007011800000000, -0.0014484700000000 ] - [ -0.0193480500000000, -0.0631655700000000, -0.0263488800000000 ] - [ 0.0040326000000000, 0.0060194000000000, 0.0104315400000000 ] - [ -0.0018425600000000, -0.0003640500000000, 0.0035563900000000 ] - [ 0.0000814600000000, -0.0010247300000000, -0.0009454200000000 ] - [ -0.0004673000000000, -0.0006763500000000, -0.0016102300000000 ] - [ 0.0005284800000000, 0.0014221900000000, -0.0000336100000000 ] - [ -0.0007473100000000, -0.0004164000000000, -0.0001523000000000 ] - [ 0.0004338100000000, 0.0024359500000000, 0.0000446200000000 ] - [ -0.0001542300000000, 0.0000856200000000, -0.0001450700000000 ] - [ 0.0000803000000000, -0.0009514800000000, -0.0009726600000000 ] - [ 0.0002056700000000, -0.0012974700000000, -0.0000880400000000 ] - [ 0.0003078900000000, 0.0008577000000000, -0.0004198100000000 ] - [ 0.0009086200000000, -0.0000189500000000, 0.0020225600000000 ] - [ 0.0007874100000000, 0.0012739500000000, 0.0003174100000000 ] - [ -0.0004855400000000, 0.0015964300000000, 0.0000048800000000 ] - [ -0.0002984800000000, 0.0011208600000000, -0.0005669600000000 ] - [ 0.0001116800000000, 0.0008566800000000, 0.0000143400000000 ] - [ -0.0000495100000000, 0.0007900300000000, 0.0003692700000000 ] - [ 0.0001033600000000, 0.0008148200000000, 0.0005907000000000 ] - [ -0.0001491300000000, 0.0010750200000000, 0.0005106300000000 ] - [ -0.0004600800000000, 0.0010626500000000, -0.0006140800000000 ] - [ 0.0056248700000000, -0.0091812700000000, 0.0023146600000000 ] - [ -0.0014400300000000, 0.0012384200000000, 0.0003405100000000 ] - [ -0.0000771000000000, 0.0003659300000000, -0.0001718700000000 ] - [ -0.0002774300000000, 0.0015936300000000, 0.0001914000000000 ] - [ 0.0000830300000000, 0.0010523400000000, 0.0002404100000000 ] - [ -0.0001348200000000, 0.0010621900000000, 0.0000443900000000 ] - [ -0.0011955200000000, 0.0057459400000000, 0.0044689200000000 ] - [ -0.0005457600000000, 0.0016170400000000, -0.0004813200000000 ] - [ 0.0064953300000000, 0.0052681200000000, -0.0062617300000000 ] - [ 0.0006341000000000, -0.0015893000000000, 0.0003051800000000 ] - [ 0.0007718400000000, -0.0018999600000000, 0.0013308300000000 ] - [ -0.0000105800000000, 0.0017092700000000, -0.0023491400000000 ] - [ 0.0002151700000000, -0.0008309500000000, 0.0003192100000000 ] - [ -0.0007921500000000, 0.0011489900000000, 0.0006865500000000 ] - [ -0.0003354400000000, 0.0024444100000000, -0.0003940700000000 ] - [ 0.0006377800000000, 0.0017762900000000, -0.0022062700000000 ] - [ -0.0015988000000000, -0.0064606900000000, -0.0020141900000000 ] - [ 0.0000197400000000, 0.0002368300000000, 0.0000428100000000 ] - [ 0.0025989800000000, -0.0066221000000000, -0.0010785500000000 ] - [ -0.0006994100000000, -0.0064131800000000, -0.0039957700000000 ] - [ -0.0007794300000000, -0.0023029100000000, 0.0005822800000000 ] - [ -0.0121708700000000, 0.0138196400000000, -0.0203896300000000 ] - [ -0.0000722800000000, 0.0017994800000000, -0.0009668000000000 ] - [ 0.0095695800000000, 0.0148710100000000, -0.0085360500000000 ] - [ 0.0007974500000000, 0.0008825600000000, -0.0000177700000000 ] - [ 0.0000588700000000, 0.0024931700000000, -0.0000517100000000 ] - [ 0.0006227700000000, 0.0033360400000000, 0.0003331600000000 ] - [ 0.0001221400000000, 0.0016073200000000, -0.0022458600000000 ] - [ 0.0005450600000000, 0.0023551300000000, -0.0000211700000000 ] - [ -0.0003340400000000, 0.0010550500000000, 0.0000135000000000 ] - [ 0.0072130700000000, -0.0109916200000000, 0.0006341600000000 ] - [ 0.0008443500000000, 0.0028433000000000, -0.0020654900000000 ] - [ -0.0004155600000000, 0.0018443500000000, -0.0002034600000000 ] - [ -0.0002421500000000, 0.0003256100000000, -0.0000664500000000 ] - [ 0.0003877900000000, 0.0018265200000000, -0.0001902700000000 ] - [ 0.0003001200000000, 0.0023739400000000, -0.0005203900000000 ] - [ -0.0007536700000000, 0.0013980700000000, 0.0003888700000000 ] - [ -0.0007934400000000, 0.0028168900000000, -0.0004729600000000 ] - [ -0.0116084300000000, 0.0038663100000000, -0.0044832900000000 ] - [ 0.0003070500000000, -0.0019557900000000, -0.0002511200000000 ] - [ -0.0001524400000000, 0.0022138700000000, 0.0015333000000000 ] - [ -0.0000784800000000, 0.0004835800000000, 0.0011174900000000 ] - [ -0.0003013400000000, 0.0011469200000000, 0.0012557700000000 ] - [ 0.0001210400000000, 0.0026349500000000, -0.0007716500000000 ] - [ -0.0057885600000000, 0.0108754800000000, 0.0081420700000000 ] - [ 0.0003286000000000, 0.0016821900000000, -0.0006527900000000 ] - [ -0.0005020900000000, -0.0004618300000000, 0.0006126000000000 ] - [ -0.0002864300000000, -0.0000077300000000, -0.0004400500000000 ] - [ 0.0004160500000000, -0.0008623500000000, -0.0000895000000000 ] - [ 0.0001162000000000, -0.0010261000000000, -0.0008400000000000 ] - [ -0.0000013600000000, 0.0019054500000000, -0.0001547400000000 ] - [ -0.0002475100000000, -0.0009064500000000, 0.0002062500000000 ] - [ 0.0022887900000000, 0.0061360500000000, 0.0111309300000000 ] - [ -0.0002711000000000, -0.0002326600000000, -0.0005292600000000 ] - [ 0.0000423800000000, 0.0005382500000000, 0.0008456800000000 ] - [ -0.0000569400000000, 0.0012333700000000, -0.0003635400000000 ] - [ -0.0002602600000000, -0.0001944800000000, 0.0006344800000000 ] - [ 0.0009062000000000, 0.0000437600000000, -0.0001624000000000 ] - [ 0.0005391800000000, 0.0001670900000000, 0.0003410600000000 ] - [ 0.0004701900000000, -0.0001903800000000, 0.0011030200000000 ] - [ 0.0003727900000000, -0.0000632300000000, -0.0004618100000000 ] - [ -0.0001335700000000, 0.0022267200000000, 0.0050954700000000 ] - [ 0.0000684400000000, 0.0004520900000000, -0.0005715700000000 ] - [ 0.0000992100000000, -0.0000301000000000, 0.0004588200000000 ] - [ -0.0004208400000000, 0.0019759500000000, 0.0035893500000000 ] - [ -0.0004160500000000, 0.0003757100000000, -0.0001889800000000 ] - [ 0.0003500500000000, 0.0001290900000000, 0.0007550500000000 ] - [ 0.0095994900000000, 0.0072032200000000, -0.0020677900000000 ] - [ 0.0008091100000000, -0.0010793300000000, -0.0002136500000000 ] - [ -0.0008108800000000, -0.0002545100000000, -0.0003979500000000 ] - [ -0.0004409200000000, -0.0000459100000000, 0.0004513000000000 ] - [ -0.0001484400000000, -0.0011907000000000, 0.0004018900000000 ] - [ 0.0002040800000000, 0.0008002000000000, 0.0010781000000000 ] - [ -0.0001911700000000, -0.0000031000000000, -0.0001511600000000 ] - [ -0.0002591800000000, -0.0006701200000000, 0.0009667900000000 ] - [ 0.0025473000000000, -0.0006175900000000, 0.0027532800000000 ] - [ 0.0007373400000000, 0.0040043000000000, 0.0041071700000000 ] - [ 0.0003637600000000, -0.0004048600000000, 0.0015359300000000 ] - [ -0.0010935500000000, 0.0010412500000000, -0.0004827700000000 ] - [ -0.0005665300000000, -0.0005122700000000, -0.0000501100000000 ] - [ 0.0013144700000000, -0.0017364000000000, 0.0029472000000000 ] - [ -0.0007017200000000, 0.0015310000000000, -0.0003969700000000 ] - [ 0.0009382300000000, -0.0051030200000000, 0.0010384200000000 ] - [ 0.0080753500000000, 0.0075455200000000, -0.0028530000000000 ] - [ 0.0006221700000000, 0.0012060900000000, 0.0001865600000000 ] - [ 0.0002298400000000, -0.0002302200000000, -0.0006783600000000 ] - [ -0.0004614800000000, 0.0008267300000000, -0.0004163600000000 ] - [ -0.0003242300000000, -0.0008927600000000, 0.0005641400000000 ] - [ 0.0003896900000000, -0.0007134600000000, -0.0005771800000000 ] - [ -0.0006870400000000, 0.0012044500000000, 0.0001662500000000 ] - [ 0.0001114000000000, 0.0009854200000000, -0.0018178200000000 ] - [ -0.0018859500000000, -0.0018101000000000, 0.0034107600000000 ] - [ -0.0011795200000000, -0.0019346600000000, 0.0006337100000000 ] - [ 0.0004497200000000, -0.0012024900000000, -0.0014856400000000 ] - [ 0.0002279100000000, 0.0008477400000000, 0.0000431000000000 ] - [ 0.0012323000000000, 0.0075726700000000, 0.0068216800000000 ] - [ -0.0002903600000000, -0.0019796300000000, -0.0003669700000000 ] - [ -0.0001600400000000, -0.0011526600000000, 0.0008391700000000 ] - [ -0.0004347800000000, -0.0022665500000000, -0.0002316500000000 ] - [ -0.0003091500000000, -0.0006671700000000, 0.0002652700000000 ] - [ 0.0001394300000000, -0.0009416700000000, 0.0008522900000000 ] - [ 0.0002750800000000, -0.0005425600000000, -0.0001058000000000 ] - [ -0.0004022300000000, 0.0007189800000000, 0.0003969800000000 ] - [ -0.0004767800000000, -0.0012085200000000, -0.0007146300000000 ] - [ -0.0025851900000000, 0.0090798700000000, 0.0119896100000000 ] - [ 0.0000306300000000, -0.0005880500000000, -0.0001633700000000 ] - [ 0.0003570700000000, -0.0007497400000000, 0.0002832400000000 ] - [ -0.0010120100000000, 0.0017116400000000, -0.0007421100000000 ] - [ -0.0001467500000000, -0.0007533600000000, -0.0000872800000000 ] - [ -0.0004158600000000, -0.0016114900000000, -0.0004738000000000 ] - [ -0.0000114400000000, -0.0006183200000000, 0.0009003500000000 ] - [ 0.0001783600000000, -0.0013816900000000, -0.0004722400000000 ] - [ 0.0001368000000000, -0.0009546200000000, 0.0001753500000000 ] - [ 0.0024682000000000, -0.0002097600000000, -0.0003180100000000 ] - [ 0.0014044900000000, -0.0018232700000000, -0.0000272900000000 ] - [ -0.0004668300000000, -0.0022709900000000, 0.0026453500000000 ] - [ -0.0000475300000000, -0.0005826100000000, -0.0009667600000000 ] - [ 0.0002467100000000, -0.0007212100000000, 0.0005060100000000 ] - [ -0.0000024800000000, -0.0005398600000000, -0.0002990400000000 ] - [ -0.0002673400000000, -0.0005697200000000, 0.0001303600000000 ] - [ -0.0002112000000000, -0.0013005600000000, -0.0002821800000000 ] - [ -0.0006067100000000, -0.0016446800000000, 0.0003376500000000 ] - [ 0.0000877800000000, -0.0002896900000000, 0.0005588100000000 ] - [ 0.0006043500000000, -0.0014069200000000, 0.0003898900000000 ] - [ -0.0003941800000000, -0.0017661400000000, 0.0007426100000000 ] - [ -0.0008895000000000, -0.0013481400000000, -0.0003863800000000 ] - [ -0.0003572200000000, -0.0005362100000000, 0.0004495700000000 ] - [ -0.0011509600000000, 0.0019319000000000, -0.0009168000000000 ] - [ -0.0000313900000000, -0.0005649100000000, 0.0007964900000000 ] - [ 0.0002378800000000, -0.0002170100000000, -0.0004962600000000 ] - [ -0.0004840100000000, -0.0013367600000000, 0.0020429000000000 ] - [ 0.0000112100000000, -0.0004682500000000, 0.0010406300000000 ] - [ 0.0004134900000000, -0.0021803400000000, -0.0000558600000000 ] - [ -0.0000213700000000, -0.0010168300000000, 0.0004433400000000 ] - [ -0.0008791200000000, -0.0001282900000000, -0.0002945400000000 ] - [ -0.0005635200000000, 0.0007706000000000, 0.0001013100000000 ] - [ 0.0003650700000000, -0.0014785600000000, 0.0012934200000000 ] - [ 0.0001244800000000, -0.0007916100000000, -0.0000758400000000 ] - [ 0.0003187900000000, -0.0010282800000000, -0.0000958000000000 ] - [ -0.0002858300000000, -0.0003685600000000, -0.0000594300000000 ] - [ 0.0002007100000000, -0.0012647300000000, 0.0004593500000000 ] - [ 0.0031965400000000, -0.0002726700000000, -0.0012486100000000 ] - [ -0.0002144600000000, -0.0004540300000000, -0.0006572800000000 ] - [ -0.0000690700000000, 0.0001721700000000, -0.0003524900000000 ] - [ -0.0007783600000000, -0.0031918300000000, -0.0023613400000000 ] - [ -0.0004480000000000, -0.0009241800000000, -0.0000421400000000 ] - [ -0.0000016100000000, -0.0003837200000000, -0.0001759600000000 ] - [ 0.0000543600000000, -0.0004130700000000, -0.0000944400000000 ] - [ -0.0000588000000000, -0.0001740800000000, 0.0009608200000000 ] - [ 0.0000823000000000, -0.0001877000000000, -0.0004821500000000 ] - [ 0.0002660900000000, -0.0007732100000000, 0.0005175400000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003302000000000, -0.0008307700000000, -0.0005453300000000 ] - [ 0.0006010200000000, -0.0008383400000000, 0.0000786300000000 ] - [ -0.0002731100000000, 0.0018417600000000, 0.0000333200000000 ] - [ -0.0004757500000000, 0.0008107100000000, 0.0004687700000000 ] - [ 0.0201990100000000, 0.0626162700000000, 0.0261084500000000 ] - [ -0.0039804200000000, -0.0059689400000000, -0.0097005400000000 ] - [ 0.0018335400000000, 0.0003522600000000, -0.0024396600000000 ] - [ -0.0000800400000000, 0.0010168500000000, 0.0020432000000000 ] - [ -0.0002729900000000, 0.0005866800000000, 0.0006333700000000 ] - [ 0.0007633600000000, -0.0001303500000000, 0.0000585000000000 ] - [ -0.0005446100000000, -0.0008719900000000, 0.0001795900000000 ] - [ -0.0005133300000000, -0.0023997500000000, -0.0000589000000000 ] - [ 0.0002326300000000, -0.0000634400000000, 0.0001290000000000 ] - [ -0.0000818600000000, 0.0009440800000000, 0.0015810400000000 ] - [ -0.0002869100000000, 0.0012711600000000, 0.0000725300000000 ] - [ 0.0004300600000000, -0.0007604000000000, -0.0005645100000000 ] - [ -0.0001693600000000, -0.0000694200000000, -0.0030247400000000 ] - [ 0.0005036700000000, -0.0025757900000000, -0.0002968200000000 ] - [ -0.0008062500000000, -0.0003048900000000, 0.0000200800000000 ] - [ -0.0004388000000000, -0.0010230600000000, -0.0004176000000000 ] - [ -0.0000331100000000, -0.0008832500000000, -0.0000290500000000 ] - [ 0.0000495700000000, -0.0007896600000000, 0.0002401600000000 ] - [ -0.0001036000000000, -0.0008144300000000, 0.0005153000000000 ] - [ 0.0001493200000000, -0.0010769100000000, 0.0005960600000000 ] - [ -0.0002781100000000, -0.0011613900000000, -0.0003706300000000 ] - [ -0.0043345300000000, 0.0104920600000000, -0.0022912100000000 ] - [ 0.0001475900000000, -0.0025275400000000, -0.0003146500000000 ] - [ -0.0000007500000000, -0.0003364100000000, 0.0001585100000000 ] - [ 0.0003589800000000, -0.0015707800000000, -0.0002072900000000 ] - [ -0.0000830800000000, -0.0010540200000000, 0.0003700000000000 ] - [ 0.0000559300000000, -0.0010891600000000, -0.0000590900000000 ] - [ 0.0019354300000000, -0.0056623300000000, -0.0055316400000000 ] - [ -0.0000756000000000, -0.0017467400000000, -0.0003799900000000 ] - [ -0.0049068100000000, -0.0071655400000000, 0.0063224200000000 ] - [ -0.0000140300000000, 0.0017323100000000, -0.0011681500000000 ] - [ 0.0007214600000000, 0.0037465000000000, -0.0012395700000000 ] - [ 0.0003664500000000, -0.0029342500000000, 0.0006313400000000 ] - [ 0.0004067200000000, 0.0007184800000000, -0.0011709400000000 ] - [ -0.0001676100000000, -0.0011553500000000, -0.0017922600000000 ] - [ -0.0000188300000000, -0.0012284500000000, -0.0013323500000000 ] - [ 0.0003169600000000, -0.0017805500000000, 0.0010900600000000 ] - [ 0.0006220800000000, 0.0064518300000000, 0.0009279500000000 ] - [ -0.0003738000000000, -0.0014613800000000, -0.0017623800000000 ] - [ -0.0017464800000000, 0.0066697100000000, -0.0000451200000000 ] - [ 0.0010747300000000, 0.0076636300000000, 0.0022437700000000 ] - [ -0.0007161500000000, 0.0004275800000000, -0.0005060200000000 ] - [ 0.0104958000000000, -0.0117937000000000, 0.0202995600000000 ] - [ -0.0005498400000000, -0.0016752600000000, 0.0001046500000000 ] - [ -0.0104457700000000, -0.0150741600000000, 0.0077457900000000 ] - [ 0.0006971000000000, -0.0027421100000000, 0.0001074700000000 ] - [ 0.0005632600000000, -0.0023668400000000, -0.0008056500000000 ] - [ 0.0008722900000000, -0.0014797400000000, -0.0002479900000000 ] - [ 0.0002327900000000, -0.0028223400000000, 0.0005140600000000 ] - [ 0.0000761900000000, -0.0024827000000000, -0.0008371100000000 ] - [ -0.0006234500000000, -0.0010515600000000, -0.0011333700000000 ] - [ -0.0074787700000000, 0.0121920400000000, -0.0023089400000000 ] - [ 0.0001074100000000, -0.0028581100000000, 0.0009632800000000 ] - [ -0.0005403600000000, -0.0018433000000000, -0.0009091300000000 ] - [ -0.0001126300000000, -0.0015383700000000, -0.0016681500000000 ] - [ 0.0005684800000000, -0.0018251400000000, -0.0009235300000000 ] - [ 0.0000541400000000, -0.0011577600000000, -0.0012071900000000 ] - [ -0.0007412300000000, -0.0032598600000000, -0.0003036600000000 ] - [ -0.0007005700000000, -0.0009584300000000, 0.0005649000000000 ] - [ 0.0111676100000000, -0.0037935300000000, 0.0036662500000000 ] - [ 0.0002467300000000, 0.0008147600000000, 0.0007755500000000 ] - [ -0.0004030800000000, -0.0033510200000000, -0.0010052000000000 ] - [ -0.0000979100000000, -0.0011759800000000, 0.0006361400000000 ] - [ -0.0006134600000000, -0.0029581100000000, -0.0003976100000000 ] - [ -0.0004064900000000, -0.0025605600000000, 0.0010335500000000 ] - [ 0.0053876400000000, -0.0107203100000000, -0.0061749500000000 ] - [ 0.0002945500000000, -0.0008273700000000, 0.0002847000000000 ] - [ -0.0004139400000000, 0.0022660800000000, 0.0002493200000000 ] - [ -0.0003567300000000, -0.0005532600000000, -0.0008508700000000 ] - [ 0.0003036300000000, 0.0002924600000000, -0.0000541900000000 ] - [ 0.0001897600000000, 0.0009710700000000, 0.0011126400000000 ] - [ 0.0003022500000000, -0.0018380300000000, 0.0004225800000000 ] - [ -0.0003499200000000, 0.0013123600000000, 0.0010791900000000 ] - [ -0.0024304700000000, -0.0066803800000000, -0.0112178200000000 ] - [ -0.0003523200000000, -0.0006131800000000, 0.0001568000000000 ] - [ -0.0000445900000000, -0.0005346600000000, 0.0011077300000000 ] - [ 0.0002581500000000, -0.0019203800000000, 0.0001218800000000 ] - [ -0.0000440700000000, 0.0001375700000000, -0.0003571500000000 ] - [ 0.0008365700000000, 0.0011180700000000, -0.0003478600000000 ] - [ 0.0005932000000000, 0.0011580900000000, 0.0001735600000000 ] - [ 0.0004464500000000, 0.0019948400000000, -0.0002386500000000 ] - [ 0.0003479700000000, 0.0006359500000000, 0.0003171000000000 ] - [ 0.0007449100000000, -0.0018418000000000, -0.0038191800000000 ] - [ -0.0000635000000000, -0.0004487300000000, 0.0001865700000000 ] - [ -0.0003513800000000, 0.0004451600000000, -0.0007363400000000 ] - [ 0.0002290800000000, -0.0026672500000000, -0.0038590900000000 ] - [ -0.0007157000000000, -0.0017018100000000, 0.0007017000000000 ] - [ -0.0001035900000000, 0.0009053300000000, -0.0001693700000000 ] - [ -0.0088614300000000, -0.0087680600000000, 0.0027555600000000 ] - [ 0.0009334800000000, -0.0000804000000000, -0.0002962600000000 ] - [ -0.0009298100000000, -0.0009101300000000, -0.0001130300000000 ] - [ -0.0002775400000000, 0.0006151400000000, -0.0005982900000000 ] - [ -0.0001003900000000, 0.0001561000000000, 0.0001874100000000 ] - [ -0.0000268400000000, -0.0000995300000000, 0.0006752100000000 ] - [ -0.0000588100000000, 0.0010409400000000, 0.0007395500000000 ] - [ -0.0002954000000000, 0.0018134100000000, -0.0004442200000000 ] - [ -0.0025287600000000, 0.0006271600000000, -0.0007951800000000 ] - [ 0.0001629700000000, -0.0058468900000000, -0.0032653100000000 ] - [ -0.0001688600000000, 0.0011134600000000, -0.0017951800000000 ] - [ -0.0006523700000000, 0.0001154000000000, -0.0000285200000000 ] - [ -0.0005664600000000, 0.0018341000000000, 0.0005627000000000 ] - [ -0.0007288900000000, 0.0013380800000000, -0.0016744400000000 ] - [ 0.0009568600000000, -0.0019386300000000, 0.0001093000000000 ] - [ -0.0003073300000000, 0.0042482500000000, -0.0014052000000000 ] - [ -0.0084519100000000, -0.0066886700000000, 0.0023864500000000 ] - [ -0.0003726400000000, -0.0022558600000000, 0.0004106700000000 ] - [ 0.0004129600000000, 0.0007881100000000, -0.0006115900000000 ] - [ -0.0001807500000000, -0.0002742800000000, -0.0008744400000000 ] - [ -0.0002730500000000, 0.0004905400000000, 0.0007195900000000 ] - [ 0.0002527800000000, 0.0001580100000000, -0.0007132600000000 ] - [ -0.0000287500000000, -0.0017861400000000, -0.0003014400000000 ] - [ -0.0003034900000000, -0.0002739300000000, 0.0015496900000000 ] - [ 0.0018741000000000, 0.0018109000000000, -0.0037699500000000 ] - [ 0.0009827800000000, 0.0026255000000000, 0.0011207500000000 ] - [ -0.0001946200000000, 0.0016115700000000, 0.0011978900000000 ] - [ 0.0003259400000000, 0.0003067000000000, 0.0004780500000000 ] - [ -0.0007082000000000, -0.0086500200000000, -0.0062903000000000 ] - [ -0.0002636800000000, 0.0008381900000000, 0.0008927500000000 ] - [ -0.0000167700000000, 0.0004578000000000, 0.0009136400000000 ] - [ -0.0004818200000000, 0.0004654000000000, 0.0010961500000000 ] - [ 0.0000050800000000, 0.0007262600000000, 0.0000094100000000 ] - [ 0.0000370000000000, 0.0002454100000000, 0.0009003500000000 ] - [ 0.0003487300000000, 0.0013947800000000, -0.0002668900000000 ] - [ -0.0005152900000000, 0.0010733800000000, 0.0004704200000000 ] - [ -0.0001659800000000, 0.0006510400000000, -0.0005763100000000 ] - [ 0.0033214200000000, -0.0096091100000000, -0.0125237900000000 ] - [ 0.0002732700000000, 0.0005282200000000, 0.0004390700000000 ] - [ -0.0000531400000000, 0.0008097500000000, -0.0000089500000000 ] - [ 0.0004045900000000, -0.0013191600000000, 0.0020100300000000 ] - [ -0.0001066800000000, 0.0003410600000000, -0.0001927700000000 ] - [ -0.0002072200000000, 0.0007631400000000, 0.0001029100000000 ] - [ 0.0000114900000000, 0.0006195600000000, 0.0010520500000000 ] - [ 0.0000120300000000, 0.0006778800000000, 0.0002090700000000 ] - [ -0.0004423500000000, 0.0008985000000000, 0.0000984700000000 ] - [ -0.0007086100000000, 0.0011954000000000, -0.0000708700000000 ] - [ -0.0002853800000000, 0.0031610200000000, 0.0005412400000000 ] - [ 0.0013954800000000, 0.0040969200000000, -0.0017963600000000 ] - [ 0.0007697400000000, 0.0011565500000000, 0.0008300700000000 ] - [ 0.0003507200000000, 0.0011277300000000, 0.0007810000000000 ] - [ 0.0000024300000000, 0.0005408900000000, -0.0000857000000000 ] - [ 0.0000160500000000, 0.0009845300000000, -0.0004121200000000 ] - [ 0.0000211000000000, 0.0005963400000000, 0.0000176100000000 ] - [ -0.0005253400000000, 0.0003223300000000, 0.0001754400000000 ] - [ 0.0001614600000000, 0.0013250600000000, 0.0000329900000000 ] - [ 0.0005277900000000, 0.0000853800000000, 0.0001236200000000 ] - [ 0.0021337500000000, 0.0005920800000000, -0.0012577700000000 ] - [ -0.0008534000000000, 0.0001879000000000, -0.0001245300000000 ] - [ -0.0003626300000000, 0.0011064600000000, -0.0005913700000000 ] - [ 0.0008877200000000, -0.0029835000000000, 0.0015177500000000 ] - [ 0.0002087000000000, 0.0012636700000000, 0.0009568100000000 ] - [ -0.0004874100000000, 0.0012544100000000, 0.0010933200000000 ] - [ -0.0000738800000000, 0.0024787500000000, -0.0015130100000000 ] - [ -0.0000112400000000, 0.0004683700000000, 0.0009106400000000 ] - [ 0.0005026300000000, 0.0003787400000000, 0.0009212500000000 ] - [ 0.0002122300000000, 0.0017262700000000, -0.0007102900000000 ] - [ -0.0008638000000000, 0.0012898600000000, -0.0002161400000000 ] - [ -0.0005684900000000, 0.0005473100000000, 0.0004118600000000 ] - [ 0.0002323000000000, 0.0010731700000000, -0.0000057600000000 ] - [ 0.0001288000000000, 0.0003796000000000, -0.0002046500000000 ] - [ 0.0003052900000000, 0.0001764800000000, -0.0002779800000000 ] - [ -0.0003379500000000, 0.0012202000000000, -0.0003140800000000 ] - [ 0.0000484600000000, 0.0002296900000000, 0.0001308500000000 ] - [ -0.0025835800000000, 0.0008265300000000, -0.0000309000000000 ] - [ -0.0004283900000000, 0.0010111400000000, -0.0006329500000000 ] - [ -0.0005285900000000, -0.0005847300000000, 0.0016434700000000 ] - [ 0.0014419600000000, 0.0026477200000000, 0.0010839200000000 ] - [ -0.0002717400000000, 0.0003539600000000, -0.0001011600000000 ] - [ -0.0001887100000000, 0.0010874900000000, -0.0000860600000000 ] - [ -0.0000548000000000, 0.0004131300000000, -0.0002915900000000 ] - [ -0.0001177600000000, 0.0008698600000000, 0.0007908400000000 ] - [ 0.0001714500000000, 0.0005997700000000, 0.0002037700000000 ] - [ 0.0002883700000000, 0.0019159100000000, 0.0000093800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004258500000000, 0.0001261600000000, -0.0003719700000000 ] - [ 0.0006121900000000, -0.0004367000000000, 0.0005973100000000 ] - [ -0.0008309200000000, 0.0002842800000000, 0.0027682600000000 ] - [ -0.0007708800000000, -0.0011196000000000, 0.0007214000000000 ] - [ -0.0002756800000000, -0.0260278800000000, -0.0948650800000000 ] - [ -0.0005000900000000, 0.0101789200000000, 0.0008139600000000 ] - [ 0.0003644000000000, 0.0018980900000000, -0.0003761800000000 ] - [ 0.0001910700000000, -0.0012792500000000, 0.0018333300000000 ] - [ -0.0002717300000000, -0.0013737200000000, 0.0008797900000000 ] - [ 0.0006370600000000, 0.0006685800000000, 0.0001106200000000 ] - [ -0.0006239100000000, -0.0005638800000000, 0.0007009300000000 ] - [ 0.0000380600000000, -0.0000421000000000, -0.0005988600000000 ] - [ 0.0001155500000000, 0.0001518100000000, 0.0005673900000000 ] - [ -0.0001446800000000, -0.0010318900000000, 0.0018399600000000 ] - [ 0.0000966300000000, -0.0000922000000000, 0.0030398200000000 ] - [ 0.0003570300000000, 0.0002499300000000, -0.0003616100000000 ] - [ 0.0007073200000000, 0.0019338900000000, -0.0018134500000000 ] - [ 0.0006365500000000, -0.0007456200000000, -0.0008650400000000 ] - [ -0.0006457800000000, 0.0006896200000000, -0.0000874500000000 ] - [ -0.0003705400000000, -0.0000623000000000, -0.0006110500000000 ] - [ 0.0000468600000000, 0.0000083500000000, 0.0000916500000000 ] - [ -0.0000389100000000, 0.0001835300000000, 0.0004441200000000 ] - [ 0.0000314000000000, 0.0002275300000000, 0.0006587000000000 ] - [ 0.0000219700000000, -0.0001463700000000, 0.0004521400000000 ] - [ -0.0003259300000000, -0.0001515600000000, -0.0006117500000000 ] - [ -0.0009149300000000, 0.0028536600000000, -0.0066760600000000 ] - [ -0.0007070500000000, -0.0008269700000000, -0.0005297700000000 ] - [ -0.0000191600000000, 0.0001768600000000, 0.0006251500000000 ] - [ 0.0001523300000000, -0.0001848000000000, -0.0007609000000000 ] - [ -0.0000367700000000, -0.0001266800000000, 0.0001710600000000 ] - [ -0.0000377400000000, 0.0000383700000000, -0.0001019000000000 ] - [ -0.0031116500000000, 0.0103788500000000, -0.0019688400000000 ] - [ -0.0002118500000000, -0.0003235400000000, -0.0000589800000000 ] - [ -0.0009994400000000, -0.0082212400000000, -0.0019484900000000 ] - [ 0.0000326200000000, 0.0012052800000000, 0.0025313200000000 ] - [ 0.0003568300000000, 0.0023183700000000, 0.0028421700000000 ] - [ 0.0002750900000000, -0.0021603500000000, -0.0002822100000000 ] - [ 0.0005468800000000, 0.0016133200000000, 0.0049776400000000 ] - [ -0.0004567600000000, 0.0014518300000000, -0.0010125800000000 ] - [ -0.0001868900000000, 0.0007109900000000, -0.0008446700000000 ] - [ 0.0004428900000000, -0.0017806900000000, 0.0000786800000000 ] - [ -0.0041138500000000, -0.0014752300000000, 0.0049250700000000 ] - [ -0.0000004100000000, 0.0004833500000000, -0.0013410300000000 ] - [ 0.0154364400000000, -0.0033271800000000, 0.0090622000000000 ] - [ -0.0050296800000000, -0.0016976000000000, 0.0081076600000000 ] - [ -0.0002288800000000, 0.0008810800000000, 0.0044033600000000 ] - [ 0.0004144800000000, -0.0097357700000000, -0.0075368800000000 ] - [ -0.0003188200000000, 0.0000900700000000, -0.0000901600000000 ] - [ -0.0038151800000000, -0.0082562500000000, -0.0033313100000000 ] - [ 0.0006821600000000, -0.0011823800000000, 0.0003951400000000 ] - [ 0.0002769600000000, 0.0001962100000000, -0.0008148300000000 ] - [ 0.0007859700000000, 0.0011122800000000, -0.0003257100000000 ] - [ 0.0002234200000000, -0.0013400900000000, -0.0005209000000000 ] - [ 0.0004189800000000, 0.0003103700000000, -0.0007762700000000 ] - [ -0.0005179200000000, 0.0011894800000000, -0.0008947600000000 ] - [ 0.0161710200000000, -0.0008723400000000, 0.0160265600000000 ] - [ 0.0003715900000000, -0.0010205400000000, -0.0000832900000000 ] - [ -0.0004504100000000, 0.0000098100000000, -0.0005505400000000 ] - [ -0.0005714200000000, 0.0008220000000000, -0.0010375000000000 ] - [ 0.0004981600000000, 0.0001493400000000, -0.0005311500000000 ] - [ 0.0001782900000000, 0.0006402300000000, -0.0008543100000000 ] - [ -0.0008154200000000, -0.0004816100000000, -0.0003711700000000 ] - [ -0.0006915500000000, 0.0009071000000000, 0.0004157400000000 ] - [ 0.0041252100000000, -0.0048398500000000, -0.0060762800000000 ] - [ 0.0002755600000000, -0.0005739300000000, 0.0001743000000000 ] - [ -0.0001028300000000, -0.0024242500000000, -0.0020873600000000 ] - [ 0.0002837300000000, -0.0000139600000000, -0.0010316600000000 ] - [ -0.0001983900000000, -0.0022694100000000, -0.0017311600000000 ] - [ -0.0027209400000000, -0.0016500600000000, 0.0019949800000000 ] - [ -0.0027822500000000, 0.0061467500000000, 0.0081051700000000 ] - [ 0.0002661400000000, 0.0009592400000000, -0.0020705600000000 ] - [ -0.0004198900000000, 0.0002928900000000, 0.0009681000000000 ] - [ -0.0003016400000000, -0.0002900900000000, -0.0020792500000000 ] - [ 0.0003440900000000, -0.0003079700000000, -0.0001207700000000 ] - [ 0.0000386400000000, -0.0004882900000000, 0.0003052200000000 ] - [ 0.0000252600000000, 0.0012620300000000, -0.0018646500000000 ] - [ -0.0002896200000000, 0.0000551200000000, 0.0006334600000000 ] - [ 0.0076342100000000, 0.0087830300000000, 0.0295271400000000 ] - [ -0.0002934500000000, -0.0009133400000000, -0.0007567900000000 ] - [ 0.0002409400000000, -0.0003462900000000, -0.0001132500000000 ] - [ -0.0015911300000000, -0.0030840900000000, -0.0047821100000000 ] - [ -0.0001813400000000, 0.0004569100000000, -0.0001238900000000 ] - [ 0.0009191600000000, 0.0006222700000000, -0.0003401700000000 ] - [ 0.0005588700000000, 0.0005945100000000, 0.0000999400000000 ] - [ 0.0005012600000000, 0.0014766400000000, -0.0001343300000000 ] - [ 0.0002410700000000, -0.0000086200000000, -0.0001784400000000 ] - [ 0.0006607000000000, 0.0015899300000000, 0.0004523200000000 ] - [ -0.0006964400000000, -0.0003268200000000, -0.0011255800000000 ] - [ -0.0004403200000000, 0.0004755500000000, -0.0006851900000000 ] - [ 0.0000169900000000, 0.0008531900000000, -0.0003756400000000 ] - [ -0.0002721500000000, 0.0000796200000000, -0.0017084100000000 ] - [ 0.0000243900000000, 0.0008801400000000, -0.0000360400000000 ] - [ -0.0034148400000000, -0.0029526900000000, 0.0015432700000000 ] - [ 0.0008191500000000, -0.0005460200000000, -0.0003482300000000 ] - [ -0.0005120300000000, -0.0010086300000000, -0.0011726900000000 ] - [ -0.0002206900000000, 0.0005212000000000, -0.0005670800000000 ] - [ -0.0001221900000000, -0.0005394900000000, 0.0002668800000000 ] - [ -0.0000767900000000, 0.0001406000000000, -0.0003043300000000 ] - [ -0.0000627700000000, 0.0001415100000000, 0.0001912100000000 ] - [ -0.0003068400000000, 0.0010973700000000, -0.0002246100000000 ] - [ 0.0009941100000000, 0.0014585700000000, 0.0025878100000000 ] - [ -0.0014002800000000, 0.0031895300000000, 0.0028947400000000 ] - [ 0.0001633000000000, 0.0027788200000000, -0.0011291300000000 ] - [ -0.0016225600000000, 0.0003576700000000, -0.0013156600000000 ] - [ -0.0005677400000000, 0.0006810700000000, 0.0004153000000000 ] - [ -0.0001275500000000, 0.0015807900000000, -0.0001539500000000 ] - [ -0.0000134600000000, 0.0009910500000000, -0.0026027500000000 ] - [ 0.0004527800000000, -0.0003327800000000, 0.0006045200000000 ] - [ -0.0054953500000000, -0.0011689300000000, 0.0020714800000000 ] - [ -0.0001147900000000, 0.0012711700000000, -0.0025447300000000 ] - [ 0.0003110300000000, 0.0002497700000000, -0.0008126400000000 ] - [ -0.0003439800000000, 0.0005124800000000, -0.0027191400000000 ] - [ -0.0003203800000000, -0.0005000100000000, 0.0008431900000000 ] - [ 0.0003164000000000, -0.0003313000000000, -0.0009598400000000 ] - [ 0.0002345800000000, 0.0011761700000000, -0.0031411300000000 ] - [ 0.0003741200000000, -0.0008834000000000, -0.0005286400000000 ] - [ 0.0001729600000000, 0.0020336300000000, 0.0009959800000000 ] - [ -0.0009045300000000, 0.0010122500000000, 0.0036881900000000 ] - [ -0.0001458800000000, 0.0003901600000000, 0.0002775200000000 ] - [ 0.0001972100000000, -0.0008521200000000, 0.0000481100000000 ] - [ -0.0009820000000000, 0.0050518400000000, 0.0035217200000000 ] - [ -0.0002778400000000, -0.0006692900000000, 0.0003062900000000 ] - [ -0.0001121500000000, -0.0003871400000000, 0.0010226600000000 ] - [ -0.0004429600000000, -0.0009716100000000, 0.0004893200000000 ] - [ -0.0001752900000000, -0.0000444600000000, 0.0001242200000000 ] - [ 0.0000711600000000, -0.0003607000000000, 0.0007298000000000 ] - [ 0.0003122700000000, 0.0003715800000000, -0.0001235300000000 ] - [ -0.0006133400000000, -0.0005301800000000, 0.0000530200000000 ] - [ -0.0003325000000000, -0.0002753300000000, -0.0003577500000000 ] - [ -0.0021148100000000, 0.0136054100000000, 0.0292918500000000 ] - [ 0.0000546400000000, -0.0004350600000000, -0.0000123800000000 ] - [ 0.0001454100000000, 0.0000391300000000, 0.0001607900000000 ] - [ -0.0020241500000000, -0.0029411200000000, -0.0047555800000000 ] - [ -0.0001535700000000, -0.0002234400000000, -0.0001867500000000 ] - [ -0.0003134300000000, -0.0004791500000000, -0.0000332600000000 ] - [ -0.0000386600000000, -0.0000676800000000, 0.0011136400000000 ] - [ 0.0001056000000000, -0.0005331900000000, -0.0001657700000000 ] - [ -0.0002470800000000, 0.0002709800000000, 0.0002466200000000 ] - [ 0.0003338400000000, 0.0012356900000000, 0.0025692200000000 ] - [ 0.0001534200000000, 0.0014683100000000, 0.0011280900000000 ] - [ 0.0008731000000000, 0.0023672100000000, 0.0005143500000000 ] - [ 0.0005149400000000, -0.0000142200000000, 0.0004495300000000 ] - [ 0.0003009400000000, 0.0002789100000000, 0.0006396300000000 ] - [ 0.0000560800000000, -0.0000698200000000, -0.0000864400000000 ] - [ -0.0000576400000000, 0.0005005700000000, -0.0000827800000000 ] - [ -0.0000883700000000, -0.0002721100000000, -0.0001317200000000 ] - [ -0.0005735600000000, -0.0007196300000000, 0.0003172100000000 ] - [ 0.0001419400000000, 0.0007705300000000, 0.0003959000000000 ] - [ 0.0005623900000000, -0.0006679000000000, 0.0002037100000000 ] - [ 0.0015568600000000, 0.0006627600000000, 0.0007708100000000 ] - [ -0.0009091300000000, -0.0006436500000000, -0.0001641300000000 ] - [ -0.0004226500000000, 0.0005162300000000, 0.0000374200000000 ] - [ -0.0038197500000000, -0.0022440500000000, 0.0017611400000000 ] - [ 0.0001624100000000, 0.0004029000000000, 0.0011992700000000 ] - [ 0.0002387900000000, 0.0002815600000000, 0.0007122100000000 ] - [ -0.0001831800000000, 0.0013917300000000, 0.0006270100000000 ] - [ -0.0000343000000000, 0.0000262000000000, 0.0008417100000000 ] - [ 0.0004677700000000, -0.0009427600000000, 0.0003325400000000 ] - [ 0.0001018500000000, 0.0006194200000000, -0.0003266500000000 ] - [ -0.0008383800000000, 0.0004969000000000, -0.0001669500000000 ] - [ -0.0004923700000000, 0.0002851300000000, -0.0003325800000000 ] - [ 0.0002921900000000, -0.0000484200000000, 0.0004834200000000 ] - [ 0.0001030000000000, -0.0002342500000000, -0.0000926200000000 ] - [ 0.0003351100000000, -0.0004574400000000, -0.0003616400000000 ] - [ -0.0003092600000000, 0.0004201100000000, -0.0002374500000000 ] - [ 0.0001311700000000, -0.0005506300000000, 0.0003339700000000 ] - [ 0.0014855600000000, -0.0007480800000000, 0.0046550600000000 ] - [ -0.0003215500000000, 0.0002606200000000, -0.0004873000000000 ] - [ -0.0000374100000000, -0.0012165600000000, 0.0000126900000000 ] - [ -0.0002525200000000, 0.0001062500000000, 0.0031873100000000 ] - [ -0.0003811100000000, -0.0003085600000000, -0.0000217400000000 ] - [ -0.0000782100000000, 0.0000526900000000, 0.0000645100000000 ] - [ 0.0000306500000000, 0.0000255700000000, -0.0002909400000000 ] - [ -0.0000255000000000, 0.0002854200000000, 0.0005810500000000 ] - [ 0.0001960500000000, -0.0001013400000000, -0.0003047600000000 ] - [ 0.0002855200000000, -0.0001484100000000, 0.0008278700000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003126400000000, -0.0002249600000000, -0.0006126100000000 ] - [ 0.0006791300000000, -0.0008527400000000, -0.0005716500000000 ] - [ -0.0004591000000000, 0.0010077400000000, -0.0027412100000000 ] - [ 0.0000314000000000, 0.0012097100000000, -0.0017106300000000 ] - [ -0.0002948200000000, 0.0264589700000000, 0.0952572800000000 ] - [ 0.0004963500000000, -0.0100735500000000, -0.0002132300000000 ] - [ -0.0003599500000000, -0.0018932800000000, 0.0014676800000000 ] - [ -0.0001913900000000, 0.0012889000000000, -0.0007244100000000 ] - [ -0.0004668000000000, 0.0012645500000000, -0.0018672000000000 ] - [ 0.0006544400000000, 0.0006235500000000, -0.0000858700000000 ] - [ -0.0006674200000000, -0.0007311000000000, -0.0006773400000000 ] - [ -0.0001187100000000, 0.0000615400000000, 0.0005832900000000 ] - [ -0.0000359400000000, -0.0001223100000000, -0.0005815400000000 ] - [ 0.0001425700000000, 0.0010379400000000, -0.0012216200000000 ] - [ -0.0001750400000000, 0.0000683000000000, -0.0030516300000000 ] - [ 0.0003808100000000, -0.0001506600000000, -0.0006229900000000 ] - [ 0.0000295500000000, -0.0020377900000000, 0.0008414300000000 ] - [ 0.0006554900000000, -0.0005445400000000, 0.0008923900000000 ] - [ -0.0006455200000000, 0.0006019000000000, 0.0001124700000000 ] - [ -0.0003668500000000, 0.0001592000000000, -0.0003725300000000 ] - [ 0.0000320500000000, -0.0000348800000000, -0.0001064200000000 ] - [ 0.0000391700000000, -0.0001847600000000, 0.0001661900000000 ] - [ -0.0000319000000000, -0.0002289400000000, 0.0004479000000000 ] - [ -0.0000221600000000, 0.0001465500000000, 0.0006545400000000 ] - [ -0.0004118100000000, 0.0000507000000000, -0.0003719100000000 ] - [ 0.0022106700000000, -0.0015404300000000, 0.0067066500000000 ] - [ -0.0005805100000000, -0.0004721100000000, 0.0005522400000000 ] - [ -0.0000601000000000, -0.0001535900000000, -0.0006410700000000 ] - [ -0.0000748000000000, 0.0002137900000000, 0.0007490700000000 ] - [ 0.0000371600000000, 0.0001269400000000, 0.0004392000000000 ] - [ -0.0000412500000000, -0.0000651100000000, 0.0000874500000000 ] - [ 0.0038777000000000, -0.0103762300000000, 0.0009852500000000 ] - [ -0.0004097300000000, 0.0001969900000000, -0.0008001600000000 ] - [ 0.0025233400000000, 0.0062455600000000, 0.0020989900000000 ] - [ 0.0005912000000000, -0.0010906900000000, -0.0033916200000000 ] - [ 0.0011343600000000, -0.0004397800000000, -0.0027531500000000 ] - [ 0.0000794400000000, 0.0009464400000000, -0.0014495300000000 ] - [ 0.0000722700000000, -0.0017567700000000, -0.0058477200000000 ] - [ -0.0004985200000000, -0.0014474400000000, -0.0001092100000000 ] - [ -0.0001675400000000, 0.0005055600000000, -0.0008824200000000 ] - [ 0.0005116800000000, 0.0017784500000000, -0.0011853100000000 ] - [ 0.0031984200000000, 0.0015124100000000, -0.0060574300000000 ] - [ -0.0003538700000000, -0.0016962500000000, -0.0003912800000000 ] - [ -0.0143407200000000, 0.0033130500000000, -0.0100559300000000 ] - [ 0.0053179900000000, 0.0028682500000000, -0.0097670200000000 ] - [ -0.0012620400000000, -0.0027219500000000, -0.0043068200000000 ] - [ -0.0019163000000000, 0.0116433700000000, 0.0077154900000000 ] - [ -0.0003030900000000, 0.0000368700000000, -0.0007676200000000 ] - [ 0.0031612200000000, 0.0082378700000000, 0.0024170500000000 ] - [ 0.0008128700000000, -0.0006787100000000, -0.0003083600000000 ] - [ 0.0003449900000000, -0.0000723200000000, -0.0000475500000000 ] - [ 0.0007082000000000, 0.0007463600000000, 0.0004161200000000 ] - [ 0.0001303200000000, 0.0001207800000000, -0.0012014900000000 ] - [ 0.0002029300000000, -0.0004394400000000, -0.0000854900000000 ] - [ -0.0004374600000000, -0.0011980900000000, -0.0002147100000000 ] - [ -0.0166998400000000, 0.0020827800000000, -0.0180078300000000 ] - [ 0.0005840200000000, 0.0010202100000000, -0.0010331900000000 ] - [ -0.0005057200000000, -0.0000079400000000, -0.0005632200000000 ] - [ 0.0002179200000000, -0.0020478700000000, -0.0006842600000000 ] - [ 0.0004577400000000, -0.0001479600000000, -0.0005816600000000 ] - [ 0.0001761500000000, 0.0005760400000000, -0.0008718500000000 ] - [ -0.0006788700000000, -0.0013792200000000, 0.0004610100000000 ] - [ -0.0008036500000000, 0.0009502900000000, -0.0003296600000000 ] - [ -0.0047651200000000, 0.0049505900000000, 0.0052074700000000 ] - [ 0.0002791400000000, -0.0005679200000000, 0.0003504400000000 ] - [ -0.0004516900000000, 0.0012696300000000, 0.0026015800000000 ] - [ -0.0004610600000000, -0.0006870400000000, 0.0027831000000000 ] - [ -0.0007191300000000, 0.0004703400000000, 0.0025993500000000 ] - [ 0.0023987800000000, 0.0017059200000000, -0.0016956200000000 ] - [ 0.0029878200000000, -0.0068784200000000, -0.0064377800000000 ] - [ 0.0003576800000000, -0.0001144600000000, 0.0016959700000000 ] - [ -0.0004952200000000, 0.0015093500000000, -0.0001007500000000 ] - [ -0.0003404900000000, -0.0002628900000000, 0.0007887700000000 ] - [ 0.0003752100000000, -0.0002629200000000, -0.0000225000000000 ] - [ 0.0002666900000000, 0.0004297500000000, -0.0000261400000000 ] - [ 0.0002762800000000, -0.0012117500000000, 0.0021476300000000 ] - [ -0.0003077800000000, 0.0003508800000000, 0.0006535600000000 ] - [ -0.0071620000000000, -0.0086682300000000, -0.0281008500000000 ] - [ -0.0003301600000000, 0.0000584000000000, 0.0003842800000000 ] - [ -0.0002424800000000, 0.0003417400000000, 0.0020642300000000 ] - [ 0.0017679900000000, 0.0023716700000000, 0.0045004600000000 ] - [ -0.0001217200000000, -0.0005184600000000, 0.0003961000000000 ] - [ 0.0008234400000000, 0.0005381400000000, -0.0001708100000000 ] - [ 0.0005732800000000, 0.0007275000000000, 0.0004126100000000 ] - [ 0.0004147900000000, 0.0003256400000000, 0.0009980500000000 ] - [ 0.0004780100000000, 0.0005786200000000, 0.0000365600000000 ] - [ -0.0000582800000000, -0.0011681500000000, 0.0008713900000000 ] - [ 0.0006956600000000, 0.0003233600000000, 0.0007404600000000 ] - [ 0.0001873100000000, -0.0000632400000000, 0.0004021700000000 ] - [ -0.0002076900000000, -0.0015680300000000, 0.0000726600000000 ] - [ -0.0008596000000000, -0.0013970600000000, 0.0022218000000000 ] - [ 0.0002249400000000, 0.0001564700000000, 0.0006283500000000 ] - [ 0.0044547600000000, 0.0015128500000000, -0.0010753200000000 ] - [ 0.0009237400000000, -0.0006144100000000, -0.0001626100000000 ] - [ -0.0012305700000000, -0.0001477000000000, 0.0006626900000000 ] - [ -0.0004990500000000, 0.0000503200000000, 0.0004263900000000 ] - [ -0.0001257100000000, -0.0004963600000000, 0.0003224400000000 ] - [ 0.0002528000000000, 0.0005508400000000, 0.0020548100000000 ] - [ -0.0001849400000000, 0.0008939300000000, 0.0003990100000000 ] - [ -0.0002484600000000, 0.0000451100000000, 0.0007498200000000 ] - [ -0.0009706800000000, -0.0014427400000000, -0.0006503700000000 ] - [ 0.0022872300000000, -0.0049664400000000, -0.0020036800000000 ] - [ 0.0000276600000000, -0.0020779000000000, 0.0008593000000000 ] - [ -0.0001198700000000, 0.0008062800000000, 0.0008050300000000 ] - [ -0.0005643900000000, 0.0006442700000000, 0.0000993400000000 ] - [ 0.0007294300000000, -0.0019901100000000, 0.0014520500000000 ] - [ 0.0002633800000000, -0.0014154900000000, 0.0023279300000000 ] - [ 0.0001738700000000, -0.0004950700000000, -0.0009821700000000 ] - [ 0.0050523000000000, 0.0021771500000000, -0.0024251700000000 ] - [ 0.0003642800000000, -0.0022954600000000, 0.0031197200000000 ] - [ 0.0003317200000000, 0.0003069500000000, -0.0004778700000000 ] - [ -0.0002984100000000, 0.0000479000000000, 0.0014275400000000 ] - [ -0.0002771800000000, 0.0000936600000000, 0.0004448000000000 ] - [ 0.0003264500000000, -0.0002260400000000, -0.0003317200000000 ] - [ -0.0009420800000000, -0.0017315700000000, 0.0029785600000000 ] - [ -0.0005635500000000, 0.0015783100000000, 0.0002711400000000 ] - [ -0.0001778400000000, -0.0020329200000000, -0.0014032200000000 ] - [ 0.0007209200000000, -0.0002977700000000, -0.0019175800000000 ] - [ 0.0003945400000000, 0.0000297100000000, -0.0005504200000000 ] - [ 0.0003569400000000, 0.0019888700000000, 0.0004782000000000 ] - [ 0.0014845200000000, -0.0062051200000000, -0.0031096300000000 ] - [ -0.0002768800000000, -0.0004718100000000, 0.0002181800000000 ] - [ -0.0000649600000000, -0.0003085100000000, 0.0007293800000000 ] - [ -0.0004726600000000, -0.0008303500000000, 0.0003759600000000 ] - [ -0.0001289400000000, 0.0001044700000000, 0.0001505800000000 ] - [ 0.0001055900000000, -0.0003348100000000, 0.0010229800000000 ] - [ 0.0003112300000000, 0.0004797900000000, -0.0002496900000000 ] - [ -0.0003026400000000, 0.0023369300000000, 0.0008097200000000 ] - [ -0.0003099500000000, -0.0002797900000000, -0.0009323500000000 ] - [ 0.0027435700000000, -0.0150921300000000, -0.0312844200000000 ] - [ 0.0002504500000000, 0.0003773400000000, 0.0002872800000000 ] - [ 0.0001593600000000, 0.0000205800000000, 0.0001145800000000 ] - [ 0.0014394100000000, 0.0033501300000000, 0.0060593800000000 ] - [ -0.0000993000000000, -0.0001889600000000, -0.0000935700000000 ] - [ -0.0003100500000000, -0.0003725100000000, -0.0003399300000000 ] - [ 0.0000388900000000, 0.0000681400000000, 0.0008371300000000 ] - [ 0.0000849600000000, -0.0001710000000000, -0.0000985300000000 ] - [ -0.0000574600000000, -0.0003309700000000, 0.0000293600000000 ] - [ 0.0014271800000000, -0.0001794100000000, -0.0030500700000000 ] - [ 0.0009799300000000, -0.0001551900000000, -0.0006176500000000 ] - [ 0.0000380900000000, -0.0005704500000000, 0.0003556500000000 ] - [ 0.0002026400000000, 0.0005854600000000, -0.0005973300000000 ] - [ 0.0002964700000000, 0.0001265500000000, 0.0006461400000000 ] - [ -0.0000562900000000, 0.0000702800000000, -0.0002995300000000 ] - [ -0.0001951400000000, -0.0000889000000000, -0.0001954400000000 ] - [ -0.0001023100000000, -0.0004322000000000, -0.0001315500000000 ] - [ -0.0005584000000000, -0.0006026100000000, 0.0001962900000000 ] - [ 0.0001061600000000, 0.0002659900000000, 0.0001919300000000 ] - [ 0.0005697100000000, -0.0006548200000000, 0.0003094400000000 ] - [ 0.0001730600000000, -0.0018349000000000, -0.0012775800000000 ] - [ -0.0008336600000000, -0.0005152500000000, -0.0003458500000000 ] - [ -0.0002959500000000, 0.0000567600000000, -0.0001845200000000 ] - [ 0.0036033900000000, 0.0012092800000000, -0.0011905400000000 ] - [ 0.0000143100000000, 0.0002922400000000, 0.0005515500000000 ] - [ -0.0004861200000000, 0.0007424000000000, -0.0001282400000000 ] - [ -0.0003735600000000, -0.0002469600000000, -0.0001076100000000 ] - [ 0.0000342200000000, -0.0000258600000000, 0.0011103100000000 ] - [ 0.0004476700000000, -0.0008591700000000, 0.0005322200000000 ] - [ 0.0000890400000000, 0.0000842800000000, 0.0000639800000000 ] - [ -0.0009042200000000, 0.0006642800000000, -0.0003429700000000 ] - [ -0.0006401000000000, 0.0010424400000000, 0.0008469300000000 ] - [ 0.0003051400000000, -0.0003548100000000, 0.0008008700000000 ] - [ 0.0001495600000000, -0.0001783100000000, -0.0001870600000000 ] - [ 0.0002885000000000, -0.0003921300000000, -0.0000094700000000 ] - [ -0.0003142600000000, 0.0004315500000000, -0.0001354300000000 ] - [ 0.0001166200000000, -0.0004846000000000, 0.0002551200000000 ] - [ -0.0008600200000000, 0.0012971400000000, -0.0059747500000000 ] - [ -0.0003213000000000, 0.0002970300000000, -0.0008035100000000 ] - [ -0.0005615200000000, 0.0008184500000000, 0.0012718400000000 ] - [ 0.0009080000000000, -0.0006729900000000, -0.0045072900000000 ] - [ -0.0003377600000000, -0.0002620100000000, -0.0001224100000000 ] - [ -0.0001124900000000, 0.0006544600000000, -0.0003302200000000 ] - [ -0.0000306000000000, -0.0000253700000000, -0.0000934000000000 ] - [ -0.0001518400000000, 0.0004114100000000, 0.0011716100000000 ] - [ 0.0000565500000000, 0.0005156500000000, 0.0000241800000000 ] - [ 0.0002694800000000, 0.0012930400000000, -0.0003066000000000 ]- atom: 6 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004731800000000, -0.0001850100000000, -0.0005412800000000 ] - [ -0.0000626700000000, -0.0010177800000000, -0.0002437000000000 ] - [ -0.0013546100000000, 0.0002700200000000, 0.0002675300000000 ] - [ -0.0002651000000000, -0.0000844500000000, -0.0004437500000000 ] - [ -0.0041757400000000, 0.0039937700000000, -0.0004816000000000 ] - [ -0.0542293800000000, 0.0110933800000000, 0.0004036500000000 ] - [ 0.0121698300000000, 0.0013764200000000, 0.0005578200000000 ] - [ -0.0000757200000000, 0.0001005100000000, 0.0005527100000000 ] - [ -0.0004376100000000, -0.0002019600000000, -0.0004404100000000 ] - [ 0.0006705500000000, 0.0006060900000000, -0.0000282300000000 ] - [ -0.0006204900000000, -0.0006863600000000, 0.0000525500000000 ] - [ -0.0042857400000000, 0.0040188900000000, 0.0005151900000000 ] - [ 0.0007726500000000, -0.0000654300000000, -0.0001520100000000 ] - [ 0.0002172100000000, 0.0001065900000000, 0.0003058300000000 ] - [ 0.0006932200000000, -0.0000968100000000, 0.0001354700000000 ] - [ 0.0003004100000000, -0.0001038900000000, -0.0005452100000000 ] - [ 0.0004953200000000, 0.0000449700000000, -0.0006432600000000 ] - [ 0.0006045600000000, -0.0006902300000000, -0.0000268600000000 ] - [ -0.0006858300000000, 0.0006014100000000, 0.0000511800000000 ] - [ -0.0002427700000000, 0.0001455400000000, -0.0003395300000000 ] - [ 0.0000288300000000, -0.0000623900000000, -0.0000464500000000 ] - [ -0.0000060900000000, -0.0000368200000000, 0.0003054000000000 ] - [ -0.0000010600000000, -0.0000312500000000, 0.0005533400000000 ] - [ 0.0000082900000000, -0.0000748600000000, 0.0005535800000000 ] - [ -0.0005995700000000, 0.0000809200000000, -0.0002955900000000 ] - [ 0.0021996200000000, 0.0003886500000000, -0.0005490800000000 ] - [ 0.0009102400000000, -0.0008938200000000, 0.0005706200000000 ] - [ -0.0000501800000000, -0.0000364100000000, 0.0000315600000000 ] - [ 0.0000614400000000, -0.0000698500000000, -0.0000440700000000 ] - [ -0.0000030900000000, -0.0000751900000000, 0.0003056300000000 ] - [ -0.0000175700000000, -0.0000962800000000, 0.0000300800000000 ] - [ 0.0001386700000000, 0.0001797800000000, -0.0006871000000000 ] - [ -0.0002807100000000, -0.0002822700000000, -0.0005999300000000 ] - [ 0.0046428100000000, -0.0070234600000000, -0.0139805500000000 ] - [ 0.0003414400000000, -0.0001582200000000, -0.0002617800000000 ] - [ 0.0034338800000000, 0.0065651900000000, -0.0114408100000000 ] - [ 0.0002180700000000, -0.0008986400000000, -0.0007497200000000 ] - [ 0.0003787100000000, 0.0000312200000000, 0.0000808200000000 ] - [ 0.0037242100000000, -0.0138873000000000, -0.0003565500000000 ] - [ -0.0001364900000000, 0.0003178900000000, -0.0009771700000000 ] - [ 0.0004706100000000, -0.0000326000000000, -0.0003158800000000 ] - [ -0.0004854500000000, -0.0000345400000000, -0.0007983800000000 ] - [ -0.0001593600000000, 0.0018995500000000, -0.0013363500000000 ] - [ 0.0045545100000000, -0.0139965000000000, -0.0008017600000000 ] - [ 0.0002343300000000, 0.0031139600000000, -0.0004094000000000 ] - [ 0.0019306200000000, 0.0047183100000000, 0.0115700200000000 ] - [ 0.0031433200000000, -0.0051488000000000, 0.0140068600000000 ] - [ -0.0002427000000000, 0.0001606500000000, -0.0009431900000000 ] - [ -0.0005645700000000, 0.0001957700000000, -0.0005037500000000 ] - [ 0.0007430200000000, -0.0010908000000000, 0.0000414700000000 ] - [ 0.0000522300000000, 0.0003206500000000, -0.0003558800000000 ] - [ 0.0007489900000000, 0.0008272900000000, 0.0000508900000000 ] - [ -0.0000905900000000, 0.0015129900000000, -0.0017692700000000 ] - [ 0.0000321700000000, -0.0013660100000000, -0.0000658100000000 ] - [ -0.0004892800000000, -0.0000077900000000, -0.0005751800000000 ] - [ -0.0004418200000000, 0.0027208300000000, 0.0000398400000000 ] - [ 0.0004809000000000, -0.0001304700000000, -0.0005265200000000 ] - [ -0.0004749500000000, -0.0001284400000000, -0.0005869200000000 ] - [ -0.0001933700000000, -0.0006585300000000, -0.0008552600000000 ] - [ 0.0004663500000000, -0.0000044400000000, -0.0005374700000000 ] - [ 0.0001611700000000, 0.0005598000000000, -0.0008706300000000 ] - [ -0.0007456600000000, -0.0010320300000000, 0.0000379200000000 ] - [ -0.0007520400000000, 0.0007682700000000, 0.0000462300000000 ] - [ -0.0005955300000000, -0.0012343000000000, -0.0007911900000000 ] - [ 0.0002726100000000, -0.0004329000000000, 0.0003427300000000 ] - [ -0.0003779500000000, -0.0028361300000000, 0.0008713300000000 ] - [ -0.0001914100000000, -0.0005277900000000, 0.0010323000000000 ] - [ -0.0004590800000000, -0.0007299500000000, 0.0003873100000000 ] - [ -0.0028730400000000, 0.0008229900000000, 0.0007750700000000 ] - [ 0.0113097600000000, 0.0102382000000000, 0.0096480600000000 ] - [ -0.0003265800000000, 0.0018364400000000, -0.0028314800000000 ] - [ -0.0006888700000000, 0.0028598000000000, -0.0011486800000000 ] - [ -0.0003139100000000, -0.0002551300000000, -0.0007297800000000 ] - [ 0.0003857300000000, -0.0002337400000000, -0.0000247400000000 ] - [ -0.0026001800000000, 0.0007147900000000, -0.0005198000000000 ] - [ 0.0003506600000000, -0.0000293600000000, -0.0000012700000000 ] - [ -0.0002981500000000, 0.0005433000000000, 0.0008196500000000 ] - [ 0.0031474000000000, -0.0036060900000000, 0.0028641200000000 ] - [ -0.0009502500000000, 0.0009809900000000, 0.0024521600000000 ] - [ 0.0026262800000000, -0.0008816400000000, 0.0009779000000000 ] - [ 0.0062347600000000, -0.0064337600000000, 0.0068596800000000 ] - [ 0.0000464100000000, -0.0000904800000000, 0.0002762700000000 ] - [ 0.0009786800000000, 0.0005920700000000, -0.0001934600000000 ] - [ 0.0006015900000000, 0.0005988200000000, 0.0003987500000000 ] - [ 0.0004562600000000, 0.0010690100000000, 0.0004794000000000 ] - [ -0.0000862100000000, 0.0001818900000000, -0.0000274400000000 ] - [ 0.0002824400000000, -0.0001871200000000, 0.0007407700000000 ] - [ -0.0052157400000000, -0.0007869200000000, -0.0001990900000000 ] - [ -0.0003251800000000, 0.0001629500000000, 0.0001724800000000 ] - [ -0.0000983200000000, -0.0004566800000000, 0.0000254100000000 ] - [ -0.0005304200000000, -0.0007234300000000, 0.0001155100000000 ] - [ 0.0000865700000000, 0.0005790700000000, 0.0002737200000000 ] - [ 0.0003814600000000, -0.0012960900000000, 0.0004727100000000 ] - [ 0.0007396600000000, -0.0005435900000000, -0.0001783500000000 ] - [ -0.0007640300000000, -0.0005673900000000, -0.0003167000000000 ] - [ -0.0003334300000000, 0.0003375100000000, -0.0001185700000000 ] - [ -0.0001606700000000, -0.0004570600000000, 0.0003154700000000 ] - [ -0.0000133100000000, 0.0001657800000000, 0.0007177700000000 ] - [ 0.0005866300000000, 0.0004866900000000, 0.0006161900000000 ] - [ -0.0002824000000000, 0.0007091700000000, 0.0001814400000000 ] - [ -0.0066851700000000, 0.0007189600000000, 0.0009827200000000 ] - [ 0.0002386300000000, 0.0010599700000000, 0.0020227700000000 ] - [ 0.0000913100000000, 0.0002453800000000, -0.0002877800000000 ] - [ -0.0010031500000000, 0.0006175500000000, -0.0003317900000000 ] - [ -0.0007436300000000, 0.0000268100000000, 0.0000402800000000 ] - [ 0.0002996000000000, 0.0001376400000000, 0.0004672800000000 ] - [ -0.0000730100000000, -0.0002491200000000, -0.0004526800000000 ] - [ 0.0001156900000000, 0.0016861500000000, -0.0016918400000000 ] - [ -0.0005002100000000, 0.0025485400000000, 0.0013226000000000 ] - [ 0.0008350900000000, -0.0005519200000000, -0.0000187700000000 ] - [ 0.0003289600000000, 0.0003016200000000, -0.0005601200000000 ] - [ -0.0003645700000000, 0.0004222000000000, -0.0007344800000000 ] - [ -0.0003154900000000, -0.0005951400000000, 0.0005464200000000 ] - [ 0.0002784600000000, -0.0001355000000000, -0.0005548000000000 ] - [ -0.0008033100000000, -0.0003910400000000, -0.0001077400000000 ] - [ 0.0059004600000000, -0.0055623200000000, -0.0066857400000000 ] - [ 0.0046183500000000, 0.0011738400000000, -0.0001928700000000 ] - [ 0.0113652000000000, 0.0112237900000000, -0.0084563200000000 ] - [ 0.0034075400000000, -0.0031226400000000, -0.0030873900000000 ] - [ 0.0001825500000000, -0.0017024200000000, -0.0003492000000000 ] - [ -0.0005937500000000, -0.0028654100000000, -0.0037267200000000 ] - [ -0.0002774700000000, -0.0005204800000000, 0.0002751600000000 ] - [ -0.0000831100000000, -0.0003021900000000, 0.0008699300000000 ] - [ -0.0004399600000000, -0.0008290100000000, 0.0004961400000000 ] - [ -0.0001546200000000, 0.0000424300000000, 0.0001352400000000 ] - [ 0.0000889800000000, -0.0003069800000000, 0.0008919200000000 ] - [ 0.0003091200000000, 0.0004667400000000, -0.0001971100000000 ] - [ -0.0004829100000000, 0.0008425400000000, 0.0003558300000000 ] - [ -0.0002228600000000, -0.0000665400000000, -0.0011768000000000 ] - [ 0.0007885600000000, -0.0007850700000000, -0.0001937200000000 ] - [ 0.0001502700000000, -0.0000170900000000, 0.0001403200000000 ] - [ 0.0001449400000000, 0.0000854000000000, 0.0001248500000000 ] - [ -0.0002674700000000, -0.0004844300000000, 0.0003840000000000 ] - [ -0.0001147800000000, -0.0001915400000000, -0.0001399700000000 ] - [ -0.0003143000000000, -0.0003843000000000, -0.0001757600000000 ] - [ 0.0000033200000000, 0.0000277000000000, 0.0009756300000000 ] - [ 0.0000923100000000, -0.0003223200000000, -0.0001297200000000 ] - [ -0.0001599900000000, 0.0000253600000000, 0.0001508700000000 ] - [ 0.0012515500000000, 0.0008982200000000, -0.0001523700000000 ] - [ 0.0005663500000000, 0.0008106200000000, 0.0002905900000000 ] - [ 0.0004743400000000, 0.0009725300000000, 0.0003693700000000 ] - [ 0.0003614800000000, 0.0003275300000000, -0.0000357800000000 ] - [ 0.0002870200000000, 0.0002314300000000, 0.0006900500000000 ] - [ -0.0000040300000000, 0.0000224100000000, -0.0001929300000000 ] - [ -0.0001388100000000, 0.0002562900000000, -0.0001385400000000 ] - [ -0.0000902900000000, -0.0002745800000000, -0.0001045700000000 ] - [ -0.0005663900000000, -0.0005114800000000, 0.0002224500000000 ] - [ -0.0003371700000000, 0.0001411000000000, 0.0000952200000000 ] - [ 0.0005634000000000, -0.0006082100000000, 0.0002860200000000 ] - [ 0.0004629800000000, -0.0004400500000000, -0.0001721800000000 ] - [ -0.0004908500000000, -0.0002538200000000, -0.0003605000000000 ] - [ 0.0000722100000000, -0.0002176200000000, 0.0000483200000000 ] - [ -0.0005841100000000, -0.0008926900000000, 0.0004925200000000 ] - [ 0.0000941600000000, 0.0003932400000000, 0.0008819500000000 ] - [ -0.0000934600000000, 0.0005608600000000, 0.0003308300000000 ] - [ -0.0011499900000000, -0.0017302400000000, 0.0042606900000000 ] - [ -0.0000149500000000, 0.0000405000000000, 0.0009759200000000 ] - [ 0.0004316200000000, -0.0009605500000000, 0.0005090300000000 ] - [ 0.0001007100000000, 0.0004301800000000, -0.0001594900000000 ] - [ -0.0012787600000000, 0.0007213400000000, -0.0003385400000000 ] - [ -0.0005689300000000, 0.0007154500000000, 0.0002277900000000 ] - [ 0.0003299700000000, -0.0008922800000000, 0.0009034200000000 ] - [ 0.0001136400000000, -0.0001564800000000, -0.0001410600000000 ] - [ 0.0003147700000000, -0.0003753400000000, -0.0001873900000000 ] - [ -0.0003088000000000, 0.0004755300000000, -0.0001851300000000 ] - [ 0.0001536800000000, -0.0004755600000000, 0.0002577200000000 ] - [ 0.0004211900000000, 0.0004910600000000, -0.0001159900000000 ] - [ -0.0002799400000000, 0.0002290200000000, -0.0007611500000000 ] - [ -0.0003102800000000, -0.0001726800000000, 0.0005961400000000 ] - [ 0.0003623000000000, -0.0003281200000000, -0.0005321400000000 ] - [ -0.0003574000000000, -0.0002435700000000, -0.0001085500000000 ] - [ -0.0000986300000000, 0.0003828800000000, -0.0001347700000000 ] - [ 0.0000113900000000, 0.0000338100000000, -0.0001925600000000 ] - [ -0.0000881900000000, 0.0003888000000000, 0.0008606900000000 ] - [ 0.0001377700000000, 0.0002215900000000, -0.0001397500000000 ] - [ 0.0002774400000000, 0.0006220400000000, 0.0002484400000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005320900000000, 0.0010631800000000, -0.0000498400000000 ] - [ 0.0005702800000000, -0.0011308800000000, 0.0010817400000000 ] - [ -0.0007137900000000, 0.0001713700000000, -0.0010512500000000 ] - [ -0.0002079800000000, 0.0011605200000000, -0.0009305000000000 ] - [ 0.0027276700000000, 0.0059433300000000, 0.0100437100000000 ] - [ 0.0111068400000000, -0.0988235500000000, 0.0002376200000000 ] - [ -0.0010421100000000, -0.0066421800000000, 0.0005513200000000 ] - [ 0.0002126000000000, -0.0013535800000000, 0.0005533100000000 ] - [ -0.0004908000000000, 0.0012172300000000, -0.0010239000000000 ] - [ 0.0005310100000000, 0.0013683600000000, 0.0001321800000000 ] - [ -0.0007602400000000, 0.0000768900000000, -0.0001058000000000 ] - [ 0.0026981800000000, 0.0060449400000000, -0.0102087400000000 ] - [ -0.0002256100000000, -0.0009400100000000, 0.0010303600000000 ] - [ -0.0001067000000000, -0.0015242000000000, 0.0003047300000000 ] - [ -0.0003094000000000, -0.0009559100000000, -0.0010392000000000 ] - [ 0.0002459000000000, 0.0013196100000000, 0.0000442100000000 ] - [ 0.0004292800000000, 0.0004000000000000, 0.0000243900000000 ] - [ 0.0007806500000000, 0.0002786800000000, 0.0001932800000000 ] - [ -0.0005096800000000, 0.0015712500000000, -0.0001711200000000 ] - [ -0.0003093200000000, 0.0004953900000000, -0.0010128300000000 ] - [ 0.0000908900000000, 0.0007763800000000, 0.0001775200000000 ] - [ -0.0000367900000000, 0.0007819800000000, 0.0003052100000000 ] - [ 0.0001010000000000, 0.0007951900000000, 0.0005534500000000 ] - [ -0.0001335500000000, 0.0009981500000000, 0.0005533400000000 ] - [ -0.0003291700000000, 0.0005108900000000, -0.0010816800000000 ] - [ 0.0005030100000000, 0.0004818000000000, 0.0016828300000000 ] - [ -0.0007961200000000, -0.0008156700000000, -0.0016718200000000 ] - [ 0.0000120900000000, 0.0008033400000000, -0.0001907400000000 ] - [ -0.0000642200000000, 0.0010656900000000, 0.0001187000000000 ] - [ 0.0000753400000000, 0.0009671700000000, 0.0003050100000000 ] - [ -0.0001436900000000, 0.0010405200000000, -0.0001347700000000 ] - [ 0.0004070900000000, 0.0006135200000000, 0.0000925600000000 ] - [ -0.0002924800000000, 0.0004822600000000, 0.0003136500000000 ] - [ 0.0018773700000000, -0.0112758400000000, -0.0060090900000000 ] - [ 0.0003279800000000, 0.0006171300000000, -0.0011695700000000 ] - [ -0.0003244400000000, -0.0081387800000000, 0.0063462500000000 ] - [ -0.0000039800000000, 0.0015416700000000, -0.0015206500000000 ] - [ 0.0004007100000000, 0.0008583300000000, -0.0008244200000000 ] - [ -0.0198231600000000, 0.0098877100000000, 0.0117313400000000 ] - [ -0.0003587500000000, 0.0027621800000000, -0.0002036900000000 ] - [ 0.0005843700000000, -0.0012383200000000, -0.0008717300000000 ] - [ -0.0003707300000000, -0.0012254100000000, -0.0002437400000000 ] - [ 0.0048614800000000, 0.0021478200000000, 0.0050505600000000 ] - [ -0.0186194700000000, 0.0097366100000000, -0.0126449700000000 ] - [ 0.0051681300000000, 0.0033336900000000, -0.0067183600000000 ] - [ -0.0018184100000000, -0.0100340500000000, -0.0062738700000000 ] - [ 0.0003997300000000, -0.0094731300000000, 0.0061342600000000 ] - [ -0.0002222600000000, 0.0009775900000000, -0.0000269400000000 ] - [ -0.0002348400000000, 0.0029775700000000, 0.0000116200000000 ] - [ 0.0007845100000000, 0.0011301400000000, 0.0001628700000000 ] - [ 0.0003906700000000, 0.0031137400000000, -0.0008784100000000 ] - [ 0.0007104700000000, 0.0028989000000000, -0.0000419500000000 ] - [ 0.0003590600000000, -0.0008121000000000, -0.0014460400000000 ] - [ 0.0004086400000000, 0.0039368400000000, -0.0014529500000000 ] - [ -0.0005251700000000, 0.0014577900000000, -0.0007334200000000 ] - [ 0.0000008400000000, 0.0004341900000000, -0.0002761400000000 ] - [ 0.0005860700000000, 0.0020561200000000, -0.0010945700000000 ] - [ -0.0003692700000000, 0.0020613500000000, -0.0000166500000000 ] - [ -0.0000740600000000, 0.0006595600000000, -0.0010005400000000 ] - [ 0.0004309900000000, 0.0014582400000000, -0.0003811000000000 ] - [ 0.0002804300000000, 0.0018739900000000, -0.0007275300000000 ] - [ -0.0007843500000000, 0.0010400300000000, 0.0001285600000000 ] - [ -0.0007099100000000, 0.0029898100000000, -0.0000728700000000 ] - [ -0.0002106900000000, 0.0040488400000000, 0.0005844900000000 ] - [ 0.0003064800000000, -0.0020282000000000, -0.0004057400000000 ] - [ -0.0010246500000000, 0.0038364900000000, 0.0023807600000000 ] - [ -0.0000468900000000, 0.0010240300000000, 0.0013476000000000 ] - [ -0.0004036600000000, -0.0004882200000000, 0.0008666400000000 ] - [ 0.0035671600000000, 0.0023485000000000, -0.0011073900000000 ] - [ 0.0071608800000000, 0.0073456900000000, 0.0046993200000000 ] - [ 0.0005403700000000, 0.0016469600000000, 0.0010888600000000 ] - [ 0.0010881600000000, -0.0023551700000000, 0.0016010000000000 ] - [ -0.0004355600000000, -0.0006936700000000, -0.0001071900000000 ] - [ 0.0003668900000000, -0.0008735600000000, -0.0002651000000000 ] - [ 0.0039046200000000, 0.0023109500000000, 0.0013836200000000 ] - [ -0.0000918200000000, 0.0008635400000000, -0.0000296000000000 ] - [ -0.0001998700000000, -0.0013437800000000, 0.0000087800000000 ] - [ -0.0011599200000000, 0.0253030500000000, 0.0028011200000000 ] - [ -0.0000854500000000, 0.0008364000000000, -0.0014414600000000 ] - [ -0.0009329100000000, 0.0017828900000000, 0.0009818900000000 ] - [ -0.0040648900000000, 0.0069546000000000, -0.0010452700000000 ] - [ -0.0003983100000000, 0.0008073000000000, 0.0003073600000000 ] - [ 0.0009442600000000, 0.0003348300000000, -0.0003782100000000 ] - [ 0.0005311600000000, 0.0004784800000000, -0.0000154700000000 ] - [ 0.0005112300000000, 0.0013220900000000, -0.0000048200000000 ] - [ 0.0001912100000000, -0.0005942700000000, -0.0023427800000000 ] - [ 0.0002760400000000, -0.0009071500000000, 0.0005171600000000 ] - [ 0.0029058000000000, 0.0016960800000000, -0.0001894600000000 ] - [ -0.0001716800000000, 0.0007407600000000, -0.0000492500000000 ] - [ 0.0001888800000000, 0.0010504300000000, -0.0007054100000000 ] - [ -0.0006008600000000, -0.0008469700000000, 0.0005253400000000 ] - [ 0.0001253600000000, -0.0001745400000000, 0.0003091900000000 ] - [ -0.0000415000000000, -0.0020202600000000, 0.0001215600000000 ] - [ 0.0007797500000000, -0.0007893100000000, -0.0004325200000000 ] - [ -0.0007982100000000, -0.0008274400000000, -0.0001339100000000 ] - [ -0.0003515400000000, -0.0003024000000000, 0.0001200100000000 ] - [ -0.0001216300000000, -0.0012108500000000, 0.0002787700000000 ] - [ 0.0001310200000000, 0.0017254900000000, 0.0004073800000000 ] - [ -0.0003155100000000, -0.0007551000000000, -0.0019836200000000 ] - [ -0.0002487600000000, -0.0008848300000000, 0.0009283300000000 ] - [ -0.0035784000000000, 0.0021518400000000, 0.0009732200000000 ] - [ 0.0019956800000000, -0.0041478900000000, -0.0007381400000000 ] - [ 0.0003818000000000, 0.0017647800000000, 0.0004425400000000 ] - [ -0.0009633600000000, 0.0003687400000000, -0.0000794200000000 ] - [ -0.0011776500000000, -0.0006991400000000, 0.0003959700000000 ] - [ 0.0003969600000000, -0.0017450600000000, 0.0012759600000000 ] - [ 0.0000792800000000, 0.0003260200000000, -0.0002272700000000 ] - [ 0.0017381700000000, 0.0038674600000000, 0.0018013200000000 ] - [ 0.0011035500000000, 0.0046808800000000, -0.0021547300000000 ] - [ -0.0000681700000000, -0.0017864200000000, 0.0025585400000000 ] - [ 0.0002069400000000, -0.0001358400000000, -0.0011884300000000 ] - [ -0.0003161700000000, -0.0000283700000000, 0.0000857400000000 ] - [ -0.0003213200000000, -0.0013201300000000, 0.0007711100000000 ] - [ 0.0003259900000000, -0.0005824800000000, -0.0013818900000000 ] - [ -0.0005220200000000, -0.0011609600000000, 0.0021783600000000 ] - [ -0.0043133800000000, 0.0076478600000000, 0.0008187900000000 ] - [ 0.0016123000000000, 0.0019766500000000, -0.0002025000000000 ] - [ 0.0070664400000000, 0.0079268600000000, -0.0030485800000000 ] - [ -0.0012082200000000, 0.0274651900000000, -0.0030202400000000 ] - [ -0.0004710600000000, 0.0050223000000000, -0.0018777100000000 ] - [ -0.0000182600000000, 0.0002015400000000, -0.0011041600000000 ] - [ -0.0002891500000000, -0.0017426300000000, -0.0001522900000000 ] - [ -0.0001647000000000, -0.0010429300000000, 0.0008918800000000 ] - [ -0.0004695600000000, -0.0025656200000000, -0.0002062900000000 ] - [ -0.0002997300000000, -0.0005764700000000, 0.0002648200000000 ] - [ 0.0001324200000000, -0.0009691200000000, 0.0008037000000000 ] - [ 0.0002748600000000, -0.0004383900000000, -0.0000478900000000 ] - [ -0.0004676300000000, -0.0000251700000000, 0.0009438600000000 ] - [ -0.0002890700000000, -0.0008598100000000, 0.0002836500000000 ] - [ 0.0000298900000000, 0.0001018300000000, -0.0004139900000000 ] - [ 0.0000051000000000, -0.0006368100000000, 0.0000105300000000 ] - [ 0.0003562800000000, -0.0007728000000000, 0.0002700200000000 ] - [ -0.0002646400000000, -0.0001614900000000, 0.0004688500000000 ] - [ -0.0001379700000000, -0.0006641500000000, -0.0000625300000000 ] - [ -0.0003485100000000, -0.0012890600000000, -0.0003241000000000 ] - [ -0.0000026700000000, -0.0005101400000000, 0.0009761100000000 ] - [ 0.0001843500000000, -0.0012012300000000, -0.0003079200000000 ] - [ 0.0000510300000000, -0.0008320300000000, 0.0000055400000000 ] - [ 0.0006719800000000, -0.0011614600000000, -0.0005041000000000 ] - [ 0.0005728300000000, -0.0004088000000000, 0.0000048100000000 ] - [ 0.0004460900000000, -0.0007595600000000, 0.0010712500000000 ] - [ 0.0002209900000000, -0.0002616600000000, -0.0002813000000000 ] - [ 0.0002784100000000, -0.0002140600000000, 0.0006231400000000 ] - [ -0.0000219900000000, -0.0004466600000000, -0.0001924900000000 ] - [ -0.0001247900000000, -0.0004184000000000, -0.0001609500000000 ] - [ -0.0001949100000000, -0.0014159000000000, -0.0004400900000000 ] - [ -0.0005588100000000, -0.0017340100000000, 0.0005096300000000 ] - [ 0.0000785700000000, 0.0006655000000000, 0.0007464000000000 ] - [ 0.0005800800000000, -0.0012122400000000, 0.0002575500000000 ] - [ 0.0008900900000000, -0.0016088000000000, -0.0004853900000000 ] - [ -0.0010724300000000, -0.0023312800000000, -0.0000049100000000 ] - [ -0.0006942600000000, 0.0006833600000000, 0.0002659100000000 ] - [ -0.0001731800000000, -0.0003790200000000, -0.0001519300000000 ] - [ 0.0000131000000000, -0.0003470100000000, 0.0008612600000000 ] - [ -0.0000387000000000, -0.0001026600000000, 0.0000299500000000 ] - [ -0.0005714600000000, 0.0013852400000000, 0.0015904300000000 ] - [ 0.0000431800000000, -0.0005228500000000, 0.0009756900000000 ] - [ 0.0004480400000000, -0.0018244100000000, -0.0000794900000000 ] - [ -0.0000040400000000, -0.0007101300000000, 0.0001750400000000 ] - [ -0.0008523400000000, -0.0004505300000000, -0.0000232700000000 ] - [ -0.0005518900000000, 0.0001087600000000, 0.0002549000000000 ] - [ 0.0003320600000000, -0.0005553100000000, 0.0008146600000000 ] - [ 0.0001272700000000, -0.0008318900000000, -0.0001189700000000 ] - [ 0.0003320300000000, -0.0012282300000000, -0.0002470800000000 ] - [ -0.0002916200000000, -0.0003772300000000, -0.0001259600000000 ] - [ 0.0002085600000000, -0.0011382600000000, 0.0005601400000000 ] - [ 0.0003525100000000, -0.0003016800000000, -0.0015692900000000 ] - [ -0.0002735900000000, -0.0004849600000000, -0.0000561700000000 ] - [ -0.0003193300000000, -0.0006231100000000, 0.0006645900000000 ] - [ 0.0003698800000000, -0.0010407900000000, -0.0012303600000000 ] - [ -0.0004983000000000, -0.0008327000000000, 0.0001392400000000 ] - [ -0.0000064900000000, -0.0004964300000000, 0.0000441500000000 ] - [ -0.0000025600000000, -0.0004610000000000, -0.0001927700000000 ] - [ -0.0000448300000000, -0.0002733800000000, 0.0009480600000000 ] - [ 0.0001146800000000, -0.0002518800000000, -0.0002173400000000 ] - [ 0.0002658800000000, -0.0006011200000000, 0.0006775000000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004779900000000, 0.0006090700000000, -0.0003877900000000 ] - [ 0.0010078300000000, 0.0009610200000000, 0.0016007700000000 ] - [ -0.0010078300000000, -0.0009610200000000, 0.0016007700000000 ] - [ -0.0004779900000000, -0.0006090700000000, -0.0003877900000000 ] - [ -0.0015587400000000, 0.0100242800000000, 0.0005228000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0790966700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0074296900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035622600000000 ] - [ -0.0003551800000000, -0.0007306200000000, -0.0003315900000000 ] - [ 0.0006234200000000, 0.0007364800000000, 0.0001589300000000 ] - [ -0.0006234200000000, -0.0007364800000000, 0.0001589300000000 ] - [ 0.0015587400000000, -0.0100242800000000, 0.0005228000000000 ] - [ -0.0001040200000000, 0.0012947500000000, 0.0015229000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030734100000000 ] - [ 0.0001040200000000, -0.0012947500000000, 0.0015229000000000 ] - [ 0.0003551800000000, 0.0007306200000000, -0.0003315900000000 ] - [ 0.0004791300000000, 0.0005876900000000, -0.0005729800000000 ] - [ 0.0006550600000000, -0.0005322600000000, -0.0001346500000000 ] - [ -0.0006550600000000, 0.0005322600000000, -0.0001346500000000 ] - [ -0.0004791300000000, -0.0005876900000000, -0.0005729800000000 ] - [ 0.0000649100000000, 0.0000515800000000, 0.0001312900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003898300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006150600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004906000000000 ] - [ -0.0000840100000000, -0.0007984400000000, -0.0005625400000000 ] - [ 0.0003977500000000, 0.0031440900000000, -0.0015996000000000 ] - [ -0.0003977500000000, -0.0031440900000000, -0.0015996000000000 ] - [ -0.0000649100000000, -0.0000515800000000, 0.0001312900000000 ] - [ 0.0000125700000000, 0.0000782400000000, -0.0001409600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002202300000000 ] - [ -0.0000125700000000, -0.0000782400000000, -0.0001409600000000 ] - [ 0.0000840100000000, 0.0007984400000000, -0.0005625400000000 ] - [ -0.0001972500000000, 0.0001089400000000, 0.0006579100000000 ] - [ -0.0070002700000000, 0.0040665200000000, 0.0182640500000000 ] - [ 0.0001972500000000, -0.0001089400000000, 0.0006579100000000 ] - [ -0.0042054700000000, -0.0034667800000000, 0.0154582400000000 ] - [ 0.0001868500000000, -0.0008432900000000, -0.0009675000000000 ] - [ 0.0003886900000000, -0.0003065200000000, 0.0013361500000000 ] - [ -0.0045793600000000, 0.0148255800000000, -0.0078908400000000 ] - [ -0.0001868500000000, 0.0008432900000000, -0.0009675000000000 ] - [ 0.0004006500000000, -0.0018975000000000, 0.0021573400000000 ] - [ -0.0004006500000000, 0.0018975000000000, 0.0021573400000000 ] - [ 0.0013644400000000, 0.0044687300000000, -0.0041299400000000 ] - [ 0.0045793600000000, -0.0148255800000000, -0.0078908400000000 ] - [ -0.0013644400000000, -0.0044687300000000, -0.0041299400000000 ] - [ 0.0042054700000000, 0.0034667800000000, 0.0154582400000000 ] - [ 0.0070002700000000, -0.0040665200000000, 0.0182640500000000 ] - [ -0.0003886900000000, 0.0003065200000000, 0.0013361500000000 ] - [ -0.0003882400000000, 0.0008606900000000, -0.0023715100000000 ] - [ 0.0007394400000000, -0.0009883500000000, 0.0001031300000000 ] - [ 0.0003882400000000, -0.0008606900000000, -0.0023715100000000 ] - [ 0.0007509900000000, 0.0008883900000000, -0.0000104900000000 ] - [ 0.0003216600000000, -0.0041032400000000, 0.0020035600000000 ] - [ 0.0008014200000000, 0.0005534700000000, -0.0018956200000000 ] - [ -0.0004821500000000, 0.0001168900000000, -0.0004804200000000 ] - [ -0.0003216600000000, 0.0041032400000000, 0.0020035600000000 ] - [ 0.0004785000000000, -0.0001012500000000, -0.0006400300000000 ] - [ -0.0004785000000000, 0.0001012500000000, -0.0006400300000000 ] - [ -0.0001961000000000, -0.0004531300000000, -0.0007208600000000 ] - [ 0.0004821500000000, -0.0001168900000000, -0.0004804200000000 ] - [ 0.0001961000000000, 0.0004531300000000, -0.0007208600000000 ] - [ -0.0007509900000000, -0.0008883900000000, -0.0000104900000000 ] - [ -0.0007394400000000, 0.0009883500000000, 0.0001031300000000 ] - [ -0.0008014200000000, -0.0005534700000000, -0.0018956200000000 ] - [ 0.0002860400000000, -0.0007031000000000, 0.0001832600000000 ] - [ 0.0012106600000000, 0.0035868100000000, -0.0003187900000000 ] - [ 0.0003077400000000, 0.0002048700000000, -0.0013285200000000 ] - [ -0.0005437700000000, -0.0014272900000000, -0.0006785900000000 ] - [ -0.0015624000000000, 0.0002355300000000, 0.0030475000000000 ] - [ 0.0164819300000000, 0.0092408100000000, 0.0150545600000000 ] - [ -0.0001955300000000, 0.0034675500000000, -0.0032538100000000 ] - [ -0.0000108900000000, -0.0013738700000000, 0.0032721800000000 ] - [ -0.0002982900000000, -0.0000926300000000, -0.0009760800000000 ] - [ 0.0003671600000000, -0.0003911100000000, -0.0000813000000000 ] - [ 0.0015624000000000, -0.0002355300000000, 0.0030475000000000 ] - [ 0.0000020500000000, 0.0000029300000000, -0.0011604300000000 ] - [ -0.0002907900000000, 0.0000126900000000, 0.0008984200000000 ] - [ 0.0034569400000000, 0.0005486000000000, 0.0043227200000000 ] - [ 0.0001955300000000, -0.0034675500000000, -0.0032538100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026328500000000 ] - [ 0.0086000400000000, -0.0036931100000000, 0.0118819900000000 ] - [ -0.0000020500000000, -0.0000029300000000, -0.0011604300000000 ] - [ 0.0008346300000000, 0.0005649000000000, -0.0005588900000000 ] - [ 0.0004579300000000, 0.0000445000000000, -0.0004957900000000 ] - [ 0.0005437700000000, 0.0014272900000000, -0.0006785900000000 ] - [ -0.0000566800000000, -0.0007507900000000, 0.0002735300000000 ] - [ 0.0004062300000000, 0.0013909700000000, 0.0018945100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023254200000000 ] - [ -0.0006043300000000, 0.0001448800000000, -0.0019197900000000 ] - [ 0.0001668600000000, -0.0017910200000000, -0.0026186600000000 ] - [ -0.0004579300000000, -0.0000445000000000, -0.0004957900000000 ] - [ 0.0001589600000000, 0.0006547000000000, 0.0003220000000000 ] - [ 0.0003817400000000, -0.0020158000000000, 0.0011964400000000 ] - [ 0.0009524300000000, -0.0006969200000000, -0.0006166700000000 ] - [ -0.0008346300000000, -0.0005649000000000, -0.0005588900000000 ] - [ -0.0003671600000000, 0.0003911100000000, -0.0000813000000000 ] - [ -0.0001589600000000, -0.0006547000000000, 0.0003220000000000 ] - [ -0.0003077400000000, -0.0002048700000000, -0.0013285200000000 ] - [ -0.0000517300000000, -0.0005360000000000, 0.0004713300000000 ] - [ -0.0002860400000000, 0.0007031000000000, 0.0001832600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012623800000000 ] - [ 0.0000108900000000, 0.0013738700000000, 0.0032721800000000 ] - [ -0.0001668600000000, 0.0017910200000000, -0.0026186600000000 ] - [ -0.0009524300000000, 0.0006969200000000, -0.0006166700000000 ] - [ -0.0003817400000000, 0.0020158000000000, 0.0011964400000000 ] - [ 0.0002907900000000, -0.0000126900000000, 0.0008984200000000 ] - [ 0.0006043300000000, -0.0001448800000000, -0.0019197900000000 ] - [ -0.0014254900000000, 0.0039434700000000, -0.0015124400000000 ] - [ 0.0014254900000000, -0.0039434700000000, -0.0015124400000000 ] - [ 0.0000517300000000, 0.0005360000000000, 0.0004713300000000 ] - [ 0.0002982900000000, 0.0000926300000000, -0.0009760800000000 ] - [ -0.0003768800000000, 0.0007138600000000, -0.0013167800000000 ] - [ -0.0004062300000000, -0.0013909700000000, 0.0018945100000000 ] - [ 0.0003768800000000, -0.0007138600000000, -0.0013167800000000 ] - [ 0.0000566800000000, 0.0007507900000000, 0.0002735300000000 ] - [ -0.0086000400000000, 0.0036931100000000, 0.0118819900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0055975000000000 ] - [ -0.0164819300000000, -0.0092408100000000, 0.0150545600000000 ] - [ -0.0034569400000000, -0.0005486000000000, 0.0043227200000000 ] - [ -0.0012106600000000, -0.0035868100000000, -0.0003187900000000 ] - [ -0.0003749700000000, -0.0044315200000000, -0.0046840700000000 ] - [ -0.0002715900000000, -0.0004566400000000, 0.0003219000000000 ] - [ -0.0000992900000000, -0.0003448000000000, 0.0009557700000000 ] - [ -0.0004012900000000, -0.0010028300000000, 0.0007080600000000 ] - [ -0.0001366300000000, 0.0000806500000000, 0.0000724000000000 ] - [ 0.0000766400000000, -0.0003523000000000, 0.0007933700000000 ] - [ 0.0003168500000000, 0.0004591900000000, -0.0001748500000000 ] - [ -0.0005119500000000, 0.0007533600000000, 0.0001652200000000 ] - [ -0.0003033300000000, 0.0002775400000000, 0.0003543800000000 ] - [ 0.0006633500000000, -0.0014936800000000, -0.0010143800000000 ] - [ 0.0001366300000000, -0.0000806500000000, 0.0000724000000000 ] - [ 0.0001652300000000, -0.0000167800000000, 0.0002059500000000 ] - [ -0.0002339900000000, -0.0012034600000000, -0.0005863200000000 ] - [ -0.0001484500000000, -0.0001689200000000, -0.0002340100000000 ] - [ -0.0003168500000000, -0.0004591900000000, -0.0001748500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010084100000000 ] - [ 0.0000914900000000, -0.0003720400000000, -0.0001624400000000 ] - [ -0.0001652300000000, 0.0000167800000000, 0.0002059500000000 ] - [ 0.0011085600000000, 0.0005469400000000, 0.0001760100000000 ] - [ 0.0005736400000000, 0.0005210100000000, 0.0004279300000000 ] - [ 0.0004012900000000, 0.0010028300000000, 0.0007080600000000 ] - [ 0.0003361800000000, 0.0001959300000000, -0.0000878400000000 ] - [ 0.0003162600000000, 0.0002542800000000, 0.0003332000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001848700000000 ] - [ -0.0001099300000000, 0.0002433100000000, -0.0000436200000000 ] - [ -0.0000974800000000, -0.0003277800000000, -0.0001009600000000 ] - [ -0.0005736400000000, -0.0005210100000000, 0.0004279300000000 ] - [ 0.0004135400000000, 0.0014313300000000, -0.0001662900000000 ] - [ 0.0005563200000000, -0.0007824100000000, 0.0000978500000000 ] - [ 0.0005592000000000, -0.0005613100000000, 0.0001263000000000 ] - [ -0.0011085600000000, -0.0005469400000000, 0.0001760100000000 ] - [ -0.0006633500000000, 0.0014936800000000, -0.0010143800000000 ] - [ -0.0004135400000000, -0.0014313300000000, -0.0001662900000000 ] - [ 0.0000992900000000, 0.0003448000000000, 0.0009557700000000 ] - [ -0.0000514100000000, 0.0003914100000000, 0.0002541800000000 ] - [ 0.0003749700000000, 0.0044315200000000, -0.0046840700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009404400000000 ] - [ 0.0005119500000000, -0.0007533600000000, 0.0001652200000000 ] - [ 0.0000974800000000, 0.0003277800000000, -0.0001009600000000 ] - [ -0.0005592000000000, 0.0005613100000000, 0.0001263000000000 ] - [ -0.0005563200000000, 0.0007824100000000, 0.0000978500000000 ] - [ 0.0002339900000000, 0.0012034600000000, -0.0005863200000000 ] - [ 0.0001099300000000, -0.0002433100000000, -0.0000436200000000 ] - [ 0.0003121700000000, -0.0003998900000000, -0.0002002000000000 ] - [ -0.0003121700000000, 0.0003998900000000, -0.0002002000000000 ] - [ 0.0000514100000000, -0.0003914100000000, 0.0002541800000000 ] - [ 0.0003033300000000, -0.0002775400000000, 0.0003543800000000 ] - [ -0.0003681700000000, 0.0005981800000000, -0.0003835700000000 ] - [ -0.0003162600000000, -0.0002542800000000, 0.0003332000000000 ] - [ 0.0003681700000000, -0.0005981800000000, -0.0003835700000000 ] - [ -0.0003361800000000, -0.0001959300000000, -0.0000878400000000 ] - [ -0.0000914900000000, 0.0003720400000000, -0.0001624400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002020600000000 ] - [ -0.0000766400000000, 0.0003523000000000, 0.0007933700000000 ] - [ 0.0001484500000000, 0.0001689200000000, -0.0002340100000000 ] - [ 0.0002715900000000, 0.0004566400000000, 0.0003219000000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002611900000000, -0.0007111200000000, -0.0005994400000000 ] - [ 0.0002818200000000, -0.0022457700000000, -0.0015712700000000 ] - [ -0.0002818200000000, 0.0022457700000000, -0.0015712700000000 ] - [ -0.0002611900000000, 0.0007111200000000, -0.0005994400000000 ] - [ 0.0016532700000000, -0.0101062200000000, -0.0005050700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0799638900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0085240500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024559500000000 ] - [ -0.0003834500000000, 0.0006297800000000, -0.0006558400000000 ] - [ 0.0006678200000000, 0.0005585900000000, -0.0001313000000000 ] - [ -0.0006678200000000, -0.0005585900000000, -0.0001313000000000 ] - [ -0.0016532700000000, 0.0101062200000000, -0.0005050700000000 ] - [ 0.0001834700000000, -0.0012605600000000, -0.0015392700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024596600000000 ] - [ -0.0001834700000000, 0.0012605600000000, -0.0015392700000000 ] - [ 0.0003834500000000, -0.0006297800000000, -0.0006558400000000 ] - [ 0.0002597800000000, -0.0006908000000000, -0.0004106800000000 ] - [ 0.0006355900000000, -0.0007615800000000, 0.0001626700000000 ] - [ -0.0006355900000000, 0.0007615800000000, 0.0001626700000000 ] - [ -0.0002597800000000, 0.0006908000000000, -0.0004106800000000 ] - [ 0.0000118100000000, -0.0000760900000000, -0.0001473700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002205900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004908600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006156700000000 ] - [ -0.0006552400000000, 0.0006984200000000, -0.0004209300000000 ] - [ 0.0008973200000000, -0.0018541900000000, 0.0016386800000000 ] - [ -0.0008973200000000, 0.0018541900000000, 0.0016386800000000 ] - [ -0.0000118100000000, 0.0000760900000000, -0.0001473700000000 ] - [ 0.0000640400000000, -0.0000527700000000, 0.0001263200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003905100000000 ] - [ -0.0000640400000000, 0.0000527700000000, 0.0001263200000000 ] - [ 0.0006552400000000, -0.0006984200000000, -0.0004209300000000 ] - [ -0.0004257500000000, -0.0002292400000000, -0.0015174300000000 ] - [ 0.0086193000000000, -0.0059056000000000, -0.0182642000000000 ] - [ 0.0004257500000000, 0.0002292400000000, -0.0015174300000000 ] - [ 0.0056169100000000, 0.0053350300000000, -0.0152721100000000 ] - [ 0.0001656800000000, -0.0003720700000000, -0.0007625900000000 ] - [ 0.0002325800000000, 0.0001749400000000, -0.0021949700000000 ] - [ 0.0036827600000000, -0.0147560100000000, 0.0066625000000000 ] - [ -0.0001656800000000, 0.0003720700000000, -0.0007625900000000 ] - [ 0.0005538200000000, 0.0019031600000000, -0.0032689400000000 ] - [ -0.0005538200000000, -0.0019031600000000, -0.0032689400000000 ] - [ -0.0017359300000000, -0.0056716700000000, 0.0023516800000000 ] - [ -0.0036827600000000, 0.0147560100000000, 0.0066625000000000 ] - [ 0.0017359300000000, 0.0056716700000000, 0.0023516800000000 ] - [ -0.0056169100000000, -0.0053350300000000, -0.0152721100000000 ] - [ -0.0086193000000000, 0.0059056000000000, -0.0182642000000000 ] - [ -0.0002325800000000, -0.0001749400000000, -0.0021949700000000 ] - [ -0.0002295600000000, -0.0009842700000000, 0.0015143400000000 ] - [ 0.0007574700000000, -0.0008710400000000, -0.0000166400000000 ] - [ 0.0002295600000000, 0.0009842700000000, 0.0015143400000000 ] - [ 0.0007453900000000, 0.0009714400000000, 0.0000986300000000 ] - [ 0.0000323400000000, 0.0028866100000000, -0.0037327200000000 ] - [ -0.0001750800000000, -0.0006867900000000, 0.0010437900000000 ] - [ -0.0004747000000000, -0.0001193500000000, -0.0006300300000000 ] - [ -0.0000323400000000, -0.0028866100000000, -0.0037327200000000 ] - [ 0.0004786400000000, 0.0001007100000000, -0.0004718900000000 ] - [ -0.0004786400000000, -0.0001007100000000, -0.0004718900000000 ] - [ -0.0001567400000000, -0.0007658900000000, -0.0010070100000000 ] - [ 0.0004747000000000, 0.0001193500000000, -0.0006300300000000 ] - [ 0.0001567400000000, 0.0007658900000000, -0.0010070100000000 ] - [ -0.0007453900000000, -0.0009714400000000, 0.0000986300000000 ] - [ -0.0007574700000000, 0.0008710400000000, -0.0000166400000000 ] - [ 0.0001750800000000, 0.0006867900000000, 0.0010437900000000 ] - [ 0.0002680600000000, -0.0004333800000000, 0.0003428500000000 ] - [ -0.0017484800000000, -0.0046911700000000, 0.0008456000000000 ] - [ -0.0004771100000000, -0.0009028300000000, 0.0030802700000000 ] - [ -0.0003722800000000, -0.0003743100000000, 0.0015458700000000 ] - [ 0.0012803300000000, -0.0001697200000000, -0.0027760700000000 ] - [ -0.0171332800000000, -0.0103381600000000, -0.0139015200000000 ] - [ 0.0008155700000000, -0.0026085600000000, 0.0028781000000000 ] - [ -0.0009127500000000, 0.0031855100000000, -0.0024018400000000 ] - [ -0.0003452000000000, -0.0004672400000000, -0.0003163700000000 ] - [ 0.0003576800000000, -0.0001778100000000, -0.0000612000000000 ] - [ -0.0012803300000000, 0.0001697200000000, -0.0027760700000000 ] - [ 0.0002913600000000, 0.0000571100000000, 0.0014303300000000 ] - [ -0.0003065000000000, 0.0003929300000000, 0.0003863100000000 ] - [ -0.0036806300000000, -0.0009439000000000, -0.0045587500000000 ] - [ -0.0008155700000000, 0.0026085600000000, 0.0028781000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045353100000000 ] - [ -0.0078321500000000, 0.0027148300000000, -0.0116168700000000 ] - [ -0.0002913600000000, -0.0000571100000000, 0.0014303300000000 ] - [ 0.0009079200000000, 0.0005831200000000, 0.0000501800000000 ] - [ 0.0006738100000000, 0.0012750900000000, 0.0010120300000000 ] - [ 0.0003722800000000, 0.0003743100000000, 0.0015458700000000 ] - [ 0.0007784400000000, 0.0013189600000000, -0.0004029700000000 ] - [ 0.0001915300000000, -0.0009850700000000, -0.0006094800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019435100000000 ] - [ 0.0003471700000000, 0.0002669400000000, 0.0016377200000000 ] - [ -0.0003609700000000, 0.0010890100000000, 0.0023593900000000 ] - [ -0.0006738100000000, -0.0012750900000000, 0.0010120300000000 ] - [ 0.0000914500000000, 0.0003807800000000, 0.0002668800000000 ] - [ 0.0007483800000000, 0.0006908200000000, -0.0006800300000000 ] - [ 0.0007902700000000, -0.0004542600000000, 0.0001079200000000 ] - [ -0.0009079200000000, -0.0005831200000000, 0.0000501800000000 ] - [ -0.0003576800000000, 0.0001778100000000, -0.0000612000000000 ] - [ -0.0000914500000000, -0.0003807800000000, 0.0002668800000000 ] - [ 0.0004771100000000, 0.0009028300000000, 0.0030802700000000 ] - [ -0.0001973000000000, 0.0015725900000000, 0.0001295900000000 ] - [ -0.0002680600000000, 0.0004333800000000, 0.0003428500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031994900000000 ] - [ 0.0009127500000000, -0.0031855100000000, -0.0024018400000000 ] - [ 0.0003609700000000, -0.0010890100000000, 0.0023593900000000 ] - [ -0.0007902700000000, 0.0004542600000000, 0.0001079200000000 ] - [ -0.0007483800000000, -0.0006908200000000, -0.0006800300000000 ] - [ 0.0003065000000000, -0.0003929300000000, 0.0003863100000000 ] - [ -0.0003471700000000, -0.0002669400000000, 0.0016377200000000 ] - [ 0.0020588100000000, -0.0048145200000000, 0.0011339300000000 ] - [ -0.0020588100000000, 0.0048145200000000, 0.0011339300000000 ] - [ 0.0001973000000000, -0.0015725900000000, 0.0001295900000000 ] - [ 0.0003452000000000, 0.0004672400000000, -0.0003163700000000 ] - [ -0.0002670100000000, -0.0001515200000000, 0.0000249700000000 ] - [ -0.0001915300000000, 0.0009850700000000, -0.0006094800000000 ] - [ 0.0002670100000000, 0.0001515200000000, 0.0000249700000000 ] - [ -0.0007784400000000, -0.0013189600000000, -0.0004029700000000 ] - [ 0.0078321500000000, -0.0027148300000000, -0.0116168700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052711400000000 ] - [ 0.0171332800000000, 0.0103381600000000, -0.0139015200000000 ] - [ 0.0036806300000000, 0.0009439000000000, -0.0045587500000000 ] - [ 0.0017484800000000, 0.0046911700000000, 0.0008456000000000 ] - [ 0.0009320200000000, 0.0032857300000000, 0.0052017300000000 ] - [ -0.0002824700000000, -0.0006806300000000, 0.0002030700000000 ] - [ -0.0000737400000000, -0.0003542800000000, 0.0007998300000000 ] - [ -0.0005138000000000, -0.0008034000000000, 0.0001573200000000 ] - [ -0.0001593100000000, -0.0000252800000000, 0.0001996000000000 ] - [ 0.0000964200000000, -0.0003471000000000, 0.0009631200000000 ] - [ 0.0003066800000000, 0.0003924200000000, -0.0002009400000000 ] - [ -0.0004036400000000, 0.0010555100000000, 0.0006992200000000 ] - [ -0.0003413900000000, -0.0008397400000000, -0.0016527200000000 ] - [ 0.0000609800000000, 0.0009290400000000, 0.0008698300000000 ] - [ 0.0001593100000000, 0.0000252800000000, 0.0001996000000000 ] - [ 0.0001306200000000, 0.0000727200000000, 0.0000661100000000 ] - [ -0.0003627400000000, 0.0016069000000000, 0.0018690500000000 ] - [ -0.0001090500000000, -0.0002455800000000, -0.0000466000000000 ] - [ -0.0003066800000000, -0.0003924200000000, -0.0002009400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009298300000000 ] - [ 0.0000987500000000, -0.0003303400000000, -0.0000958900000000 ] - [ -0.0001306200000000, -0.0000727200000000, 0.0000661100000000 ] - [ 0.0006326400000000, 0.0005950200000000, -0.0006873900000000 ] - [ 0.0005590400000000, 0.0008011700000000, 0.0000880500000000 ] - [ 0.0005138000000000, 0.0008034000000000, 0.0001573200000000 ] - [ 0.0003879300000000, 0.0003730500000000, -0.0000565300000000 ] - [ 0.0002808100000000, 0.0001462900000000, 0.0009480600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001922700000000 ] - [ -0.0001475600000000, 0.0001705600000000, -0.0002367700000000 ] - [ -0.0000928100000000, -0.0003740100000000, -0.0001567000000000 ] - [ -0.0005590400000000, -0.0008011700000000, 0.0000880500000000 ] - [ -0.0001609800000000, -0.0003974400000000, 0.0007544000000000 ] - [ 0.0005761000000000, -0.0005420800000000, 0.0004192500000000 ] - [ 0.0011837000000000, -0.0005900700000000, -0.0006361800000000 ] - [ -0.0006326400000000, -0.0005950200000000, -0.0006873900000000 ] - [ -0.0000609800000000, -0.0009290400000000, 0.0008698300000000 ] - [ 0.0001609800000000, 0.0003974400000000, 0.0007544000000000 ] - [ 0.0000737400000000, 0.0003542800000000, 0.0007998300000000 ] - [ -0.0001985400000000, 0.0006443100000000, 0.0003334900000000 ] - [ -0.0009320200000000, -0.0032857300000000, 0.0052017300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009985600000000 ] - [ 0.0004036400000000, -0.0010555100000000, 0.0006992200000000 ] - [ 0.0000928100000000, 0.0003740100000000, -0.0001567000000000 ] - [ -0.0011837000000000, 0.0005900700000000, -0.0006361800000000 ] - [ -0.0005761000000000, 0.0005420800000000, 0.0004192500000000 ] - [ 0.0003627400000000, -0.0016069000000000, 0.0018690500000000 ] - [ 0.0001475600000000, -0.0001705600000000, -0.0002367700000000 ] - [ 0.0003114000000000, -0.0004515100000000, -0.0001750800000000 ] - [ -0.0003114000000000, 0.0004515100000000, -0.0001750800000000 ] - [ 0.0001985400000000, -0.0006443100000000, 0.0003334900000000 ] - [ 0.0003413900000000, 0.0008397400000000, -0.0016527200000000 ] - [ -0.0002749500000000, -0.0000366200000000, -0.0009137700000000 ] - [ -0.0002808100000000, -0.0001462900000000, 0.0009480600000000 ] - [ 0.0002749500000000, 0.0000366200000000, -0.0009137700000000 ] - [ -0.0003879300000000, -0.0003730500000000, -0.0000565300000000 ] - [ -0.0000987500000000, 0.0003303400000000, -0.0000958900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001741700000000 ] - [ -0.0000964200000000, 0.0003471000000000, 0.0009631200000000 ] - [ 0.0001090500000000, 0.0002455800000000, -0.0000466000000000 ] - [ 0.0002824700000000, 0.0006806300000000, 0.0002030700000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003677900000000, 0.0001715200000000, -0.0003932400000000 ] - [ 0.0009483800000000, -0.0005651500000000, 0.0002026400000000 ] - [ -0.0003438300000000, 0.0007186700000000, -0.0001813800000000 ] - [ -0.0003706700000000, 0.0002719100000000, -0.0005946900000000 ] - [ 0.0018394800000000, -0.0018702500000000, 0.0003549700000000 ] - [ 0.0121704100000000, -0.0010420300000000, 0.0003106800000000 ] - [ -0.0448279900000000, -0.0666475700000000, 0.0004315400000000 ] - [ 0.0000254800000000, -0.0001810800000000, 0.0005512500000000 ] - [ -0.0003495400000000, 0.0000974900000000, -0.0005382700000000 ] - [ 0.0006213100000000, 0.0007392600000000, 0.0000390500000000 ] - [ -0.0006699100000000, -0.0005535300000000, -0.0000156700000000 ] - [ 0.0017499600000000, -0.0018058900000000, -0.0003692100000000 ] - [ -0.0002934300000000, -0.0000649900000000, 0.0001807600000000 ] - [ -0.0000755400000000, -0.0002129000000000, 0.0003043200000000 ] - [ -0.0003715100000000, -0.0000965800000000, -0.0002014000000000 ] - [ 0.0003872000000000, 0.0001953400000000, -0.0004490300000000 ] - [ 0.0003168300000000, -0.0000205600000000, -0.0003586000000000 ] - [ 0.0006752200000000, -0.0005255700000000, 0.0000388600000000 ] - [ -0.0006157900000000, 0.0007663500000000, -0.0000130000000000 ] - [ -0.0004201400000000, 0.0000819900000000, -0.0006214700000000 ] - [ 0.0000495800000000, 0.0000908200000000, 0.0000235800000000 ] - [ -0.0000007800000000, 0.0001012100000000, 0.0003049700000000 ] - [ 0.0000110700000000, 0.0001008400000000, 0.0005531600000000 ] - [ -0.0000174100000000, 0.0001358600000000, 0.0005536500000000 ] - [ -0.0002535000000000, -0.0000507500000000, -0.0006453400000000 ] - [ -0.0003207500000000, 0.0016646200000000, 0.0019974000000000 ] - [ -0.0016123200000000, 0.0003562300000000, -0.0019168100000000 ] - [ -0.0000295200000000, 0.0001162600000000, -0.0000396800000000 ] - [ 0.0000195400000000, 0.0001626300000000, 0.0000154600000000 ] - [ 0.0000085100000000, 0.0001334700000000, 0.0003055500000000 ] - [ -0.0000596300000000, 0.0001358100000000, -0.0000286000000000 ] - [ 0.0004864200000000, 0.0000446000000000, -0.0003358200000000 ] - [ -0.0003179900000000, 0.0000779600000000, -0.0003011900000000 ] - [ -0.0007402200000000, 0.0005718000000000, 0.0078284300000000 ] - [ 0.0003049100000000, 0.0001978000000000, -0.0005626200000000 ] - [ -0.0004826300000000, -0.0022217000000000, 0.0081703700000000 ] - [ 0.0001482100000000, -0.0002685000000000, -0.0009882000000000 ] - [ 0.0002958500000000, 0.0000028100000000, -0.0006568800000000 ] - [ 0.0056810300000000, 0.0131648900000000, 0.0009530300000000 ] - [ -0.0002048900000000, 0.0009418400000000, -0.0007410100000000 ] - [ 0.0004985300000000, -0.0001472700000000, -0.0007545900000000 ] - [ -0.0004564600000000, -0.0001538600000000, -0.0003612100000000 ] - [ -0.0013537500000000, -0.0023282100000000, 0.0001593000000000 ] - [ 0.0068644400000000, 0.0130392500000000, -0.0021433400000000 ] - [ -0.0010451500000000, -0.0011224200000000, -0.0019017400000000 ] - [ -0.0019311600000000, -0.0040507600000000, -0.0080168800000000 ] - [ -0.0023185100000000, 0.0024865400000000, -0.0078252400000000 ] - [ -0.0003250600000000, 0.0001361500000000, -0.0002098600000000 ] - [ -0.0002441400000000, 0.0003146200000000, -0.0004874400000000 ] - [ 0.0007551100000000, -0.0006432500000000, 0.0000558300000000 ] - [ 0.0003768600000000, 0.0004389200000000, -0.0003722600000000 ] - [ 0.0007431000000000, 0.0011907400000000, 0.0000342800000000 ] - [ 0.0002538300000000, -0.0014076600000000, -0.0005307200000000 ] - [ 0.0004470600000000, 0.0009553300000000, -0.0005515000000000 ] - [ -0.0004765500000000, 0.0001627700000000, -0.0005642200000000 ] - [ -0.0000991300000000, -0.0002108700000000, -0.0012029800000000 ] - [ 0.0004841000000000, 0.0002568600000000, -0.0006182700000000 ] - [ -0.0004716200000000, 0.0002589600000000, -0.0004951100000000 ] - [ -0.0001587600000000, -0.0004473600000000, -0.0008751200000000 ] - [ 0.0004788700000000, 0.0001674100000000, -0.0005478400000000 ] - [ 0.0001958300000000, 0.0007725500000000, -0.0008500600000000 ] - [ -0.0007513300000000, -0.0006688400000000, 0.0000552300000000 ] - [ -0.0007401700000000, 0.0012150500000000, 0.0000311300000000 ] - [ -0.0001722000000000, 0.0010969600000000, -0.0002933900000000 ] - [ 0.0002815600000000, -0.0007844000000000, 0.0001551200000000 ] - [ -0.0005023800000000, 0.0012433500000000, 0.0001610300000000 ] - [ -0.0000183200000000, -0.0001864500000000, 0.0009080300000000 ] - [ -0.0004539800000000, -0.0009190100000000, 0.0004887100000000 ] - [ 0.0159035900000000, 0.0228375800000000, -0.0024122700000000 ] - [ -0.0021607200000000, -0.0000931900000000, 0.0047549300000000 ] - [ 0.0007026400000000, -0.0000680800000000, 0.0008060600000000 ] - [ -0.0007002400000000, -0.0000025300000000, 0.0010043100000000 ] - [ -0.0003145600000000, -0.0003323500000000, -0.0005626200000000 ] - [ 0.0003514200000000, -0.0003645400000000, -0.0001057400000000 ] - [ 0.0161549900000000, 0.0232157600000000, 0.0028079700000000 ] - [ 0.0000690300000000, 0.0001537200000000, 0.0001673500000000 ] - [ -0.0003080100000000, -0.0000919900000000, 0.0004834900000000 ] - [ -0.0021224100000000, -0.0004281700000000, -0.0013371500000000 ] - [ 0.0000862000000000, -0.0009319300000000, -0.0011895100000000 ] - [ -0.0017853000000000, 0.0007390800000000, 0.0009724600000000 ] - [ -0.0006303100000000, -0.0000987500000000, 0.0028891500000000 ] - [ -0.0002340400000000, 0.0000902400000000, 0.0001081700000000 ] - [ 0.0008403700000000, 0.0005472300000000, -0.0002873500000000 ] - [ 0.0005717400000000, 0.0006671900000000, 0.0001764800000000 ] - [ 0.0004619600000000, 0.0008759400000000, 0.0003800500000000 ] - [ 0.0008026600000000, 0.0001803400000000, -0.0004957400000000 ] - [ 0.0003089200000000, 0.0003713100000000, 0.0006616700000000 ] - [ 0.0032576700000000, 0.0003437900000000, -0.0002163100000000 ] - [ -0.0000463700000000, 0.0002761900000000, -0.0002485000000000 ] - [ -0.0000387500000000, -0.0000571500000000, -0.0002115700000000 ] - [ -0.0005600500000000, -0.0006537200000000, 0.0003393000000000 ] - [ 0.0001411200000000, 0.0004207900000000, 0.0003098400000000 ] - [ 0.0010853300000000, -0.0007241500000000, 0.0001588800000000 ] - [ 0.0009185500000000, -0.0006183900000000, -0.0003024600000000 ] - [ -0.0009026700000000, -0.0006111200000000, -0.0002220400000000 ] - [ -0.0003688100000000, 0.0002057200000000, -0.0000355100000000 ] - [ -0.0001074800000000, -0.0006151900000000, 0.0002807200000000 ] - [ 0.0001565000000000, 0.0005086300000000, 0.0008471300000000 ] - [ -0.0000829400000000, 0.0003886600000000, -0.0001663100000000 ] - [ -0.0002735200000000, 0.0003563400000000, 0.0003704700000000 ] - [ 0.0031839200000000, 0.0002297500000000, 0.0009919000000000 ] - [ 0.0001917500000000, -0.0018555800000000, -0.0001552500000000 ] - [ 0.0001554900000000, 0.0006448100000000, -0.0000518800000000 ] - [ -0.0008237100000000, 0.0005441400000000, -0.0002070000000000 ] - [ -0.0000605900000000, 0.0006007000000000, 0.0003528900000000 ] - [ 0.0002886800000000, -0.0005110500000000, 0.0008116200000000 ] - [ 0.0002057300000000, -0.0001353000000000, -0.0000310000000000 ] - [ -0.0003251100000000, -0.0009566200000000, 0.0009973100000000 ] - [ -0.0009726700000000, -0.0000757800000000, -0.0013728900000000 ] - [ 0.0001522700000000, -0.0006510600000000, 0.0007639400000000 ] - [ 0.0003280600000000, 0.0002235400000000, -0.0007255200000000 ] - [ -0.0003117200000000, 0.0001980300000000, -0.0005342100000000 ] - [ -0.0002887500000000, -0.0000380800000000, 0.0006257200000000 ] - [ 0.0003316300000000, -0.0003604400000000, -0.0007527000000000 ] - [ 0.0000877300000000, -0.0003919900000000, 0.0003635100000000 ] - [ -0.0007480500000000, 0.0005844400000000, -0.0031142200000000 ] - [ -0.0026982000000000, -0.0006139900000000, -0.0001791600000000 ] - [ -0.0023630500000000, 0.0006307800000000, -0.0029696300000000 ] - [ -0.0018379700000000, -0.0000541800000000, 0.0010288900000000 ] - [ 0.0000451100000000, 0.0023687700000000, 0.0003653300000000 ] - [ 0.0007440800000000, 0.0002706900000000, 0.0015257200000000 ] - [ -0.0002793100000000, -0.0007249600000000, 0.0002078700000000 ] - [ -0.0000990400000000, -0.0004419900000000, 0.0008790900000000 ] - [ -0.0004672600000000, -0.0010778900000000, 0.0003239800000000 ] - [ -0.0001678900000000, -0.0000432400000000, 0.0001546000000000 ] - [ 0.0000926900000000, -0.0004313000000000, 0.0008622000000000 ] - [ 0.0003089500000000, 0.0003129300000000, -0.0001675600000000 ] - [ -0.0004493900000000, 0.0008252900000000, 0.0005102300000000 ] - [ -0.0004005900000000, -0.0004702300000000, -0.0002771000000000 ] - [ 0.0001730300000000, -0.0000433700000000, -0.0000799200000000 ] - [ 0.0001371800000000, -0.0001024300000000, 0.0001209700000000 ] - [ 0.0001739800000000, -0.0000745600000000, 0.0001564000000000 ] - [ -0.0002969600000000, 0.0004064800000000, 0.0007170000000000 ] - [ -0.0001324000000000, -0.0002638800000000, -0.0001289700000000 ] - [ -0.0003144900000000, -0.0005380600000000, -0.0002054600000000 ] - [ -0.0000020700000000, -0.0000678500000000, 0.0009755800000000 ] - [ 0.0001063400000000, -0.0004590200000000, -0.0001531900000000 ] - [ -0.0001311500000000, -0.0001347300000000, 0.0001190300000000 ] - [ 0.0006895200000000, 0.0003516800000000, -0.0002899800000000 ] - [ 0.0005607800000000, 0.0004941500000000, 0.0002281000000000 ] - [ 0.0004479400000000, 0.0007246900000000, 0.0005410500000000 ] - [ 0.0003409800000000, 0.0002004800000000, -0.0001111000000000 ] - [ 0.0002999500000000, 0.0001450200000000, 0.0006313000000000 ] - [ 0.0000002100000000, -0.0000587900000000, -0.0001930700000000 ] - [ -0.0001170100000000, 0.0001213300000000, -0.0001421100000000 ] - [ -0.0001079800000000, -0.0004961400000000, -0.0001757700000000 ] - [ -0.0005712100000000, -0.0008280700000000, 0.0002840500000000 ] - [ 0.0002989000000000, 0.0006954500000000, 0.0004047500000000 ] - [ 0.0005685900000000, -0.0007445000000000, 0.0002504400000000 ] - [ 0.0010513500000000, -0.0007383200000000, -0.0003005000000000 ] - [ -0.0010443200000000, -0.0008075300000000, -0.0002228000000000 ] - [ -0.0005438200000000, 0.0005211700000000, -0.0000643400000000 ] - [ 0.0000529600000000, -0.0003328500000000, 0.0001834900000000 ] - [ 0.0000783900000000, 0.0002534100000000, 0.0008723500000000 ] - [ -0.0001266100000000, 0.0004191700000000, 0.0002450000000000 ] - [ 0.0001788000000000, 0.0013940600000000, -0.0009801100000000 ] - [ 0.0000126900000000, -0.0000721100000000, 0.0009761700000000 ] - [ 0.0004650000000000, -0.0009799400000000, 0.0003549600000000 ] - [ 0.0000829800000000, 0.0002088700000000, -0.0000882700000000 ] - [ -0.0006971300000000, 0.0004239800000000, -0.0002123800000000 ] - [ -0.0005637800000000, 0.0005802000000000, 0.0002639000000000 ] - [ 0.0003005100000000, -0.0000067200000000, 0.0005730800000000 ] - [ 0.0001351000000000, -0.0002910700000000, -0.0001377600000000 ] - [ 0.0003138600000000, -0.0005298400000000, -0.0001923600000000 ] - [ -0.0003096200000000, 0.0003209200000000, -0.0001798800000000 ] - [ 0.0001207600000000, -0.0006172200000000, 0.0003430700000000 ] - [ 0.0002416000000000, 0.0000875300000000, -0.0010254900000000 ] - [ -0.0003248400000000, 0.0001706500000000, -0.0005265200000000 ] - [ -0.0002972200000000, -0.0002574400000000, 0.0006545000000000 ] - [ 0.0003181700000000, -0.0003870000000000, -0.0007692600000000 ] - [ -0.0003775400000000, -0.0003707900000000, -0.0000338800000000 ] - [ -0.0000845200000000, 0.0002465100000000, -0.0001115700000000 ] - [ -0.0000069300000000, -0.0000631800000000, -0.0001924300000000 ] - [ -0.0000848500000000, 0.0002645300000000, 0.0008911000000000 ] - [ 0.0001199700000000, 0.0001495300000000, -0.0001507700000000 ] - [ 0.0002758200000000, 0.0004181100000000, 0.0003151700000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005633400000000, 0.0011730300000000, 0.0000739200000000 ] - [ 0.0005547500000000, -0.0013058200000000, 0.0012266200000000 ] - [ -0.0007337800000000, -0.0000086700000000, -0.0011986200000000 ] - [ -0.0001774700000000, 0.0012695400000000, -0.0010570900000000 ] - [ 0.0004025300000000, -0.0003672900000000, 0.0018840300000000 ] - [ 0.0013766300000000, -0.0066423100000000, 0.0003045700000000 ] - [ -0.0666848100000000, -0.2906668500000000, 0.0003216800000000 ] - [ 0.0001807500000000, -0.0012604400000000, 0.0005532700000000 ] - [ -0.0004231400000000, 0.0013325800000000, -0.0010496000000000 ] - [ 0.0005200100000000, 0.0013922900000000, 0.0001674600000000 ] - [ -0.0007716900000000, 0.0000999300000000, -0.0001420800000000 ] - [ 0.0003260200000000, -0.0003493200000000, -0.0019071200000000 ] - [ -0.0001845800000000, -0.0010112200000000, 0.0012786000000000 ] - [ -0.0001005500000000, -0.0013536500000000, 0.0003047900000000 ] - [ -0.0002645900000000, -0.0010309100000000, -0.0012893000000000 ] - [ 0.0003136000000000, 0.0014352900000000, 0.0000664900000000 ] - [ 0.0003821600000000, 0.0003858500000000, 0.0001215200000000 ] - [ 0.0007744100000000, 0.0002742000000000, 0.0001975000000000 ] - [ -0.0005173300000000, 0.0015668700000000, -0.0001729500000000 ] - [ -0.0003554700000000, 0.0004846700000000, -0.0011073600000000 ] - [ 0.0000955600000000, 0.0008013300000000, 0.0002208400000000 ] - [ -0.0000311300000000, 0.0007952500000000, 0.0003050800000000 ] - [ 0.0001007700000000, 0.0008036800000000, 0.0005533000000000 ] - [ -0.0001360200000000, 0.0010310000000000, 0.0005533600000000 ] - [ -0.0002243100000000, 0.0003557400000000, -0.0011060200000000 ] - [ 0.0008776200000000, 0.0043704000000000, 0.0074234400000000 ] - [ -0.0004048900000000, 0.0031256500000000, -0.0074630200000000 ] - [ 0.0000167600000000, 0.0008279200000000, -0.0002355400000000 ] - [ -0.0000542200000000, 0.0010889900000000, 0.0001389400000000 ] - [ 0.0000749700000000, 0.0009980700000000, 0.0003051400000000 ] - [ -0.0001332300000000, 0.0010627800000000, -0.0001540300000000 ] - [ 0.0005141500000000, 0.0004564000000000, 0.0001203600000000 ] - [ -0.0002749400000000, 0.0004404600000000, 0.0004626000000000 ] - [ 0.0011417300000000, -0.0086257100000000, -0.0011196300000000 ] - [ 0.0003462100000000, 0.0005699400000000, -0.0013196800000000 ] - [ 0.0000851900000000, -0.0062812600000000, 0.0028189500000000 ] - [ -0.0000563700000000, 0.0018067200000000, -0.0015849300000000 ] - [ 0.0003752800000000, 0.0007667200000000, -0.0010907100000000 ] - [ 0.0200801400000000, 0.0121733200000000, 0.0111008600000000 ] - [ -0.0004100200000000, 0.0030227800000000, -0.0001420600000000 ] - [ 0.0005722200000000, -0.0013410100000000, -0.0009468500000000 ] - [ -0.0003832700000000, -0.0013307700000000, -0.0001675000000000 ] - [ -0.0045262700000000, 0.0024116300000000, 0.0043671100000000 ] - [ 0.0208821100000000, 0.0119591000000000, -0.0121137700000000 ] - [ -0.0041354700000000, 0.0035963600000000, -0.0060545100000000 ] - [ -0.0013644800000000, -0.0081488300000000, -0.0027482700000000 ] - [ -0.0003840800000000, -0.0067893700000000, 0.0012248800000000 ] - [ -0.0002469800000000, 0.0008913000000000, 0.0002343800000000 ] - [ -0.0007579900000000, 0.0032873500000000, 0.0000161700000000 ] - [ 0.0007927900000000, 0.0012368800000000, 0.0001482500000000 ] - [ -0.0001385200000000, 0.0034279100000000, -0.0008773300000000 ] - [ 0.0007103400000000, 0.0029214700000000, -0.0000425100000000 ] - [ 0.0003103000000000, -0.0015320200000000, -0.0011200400000000 ] - [ 0.0010967100000000, 0.0038801900000000, -0.0018347500000000 ] - [ -0.0005223900000000, 0.0014503700000000, -0.0007249500000000 ] - [ -0.0000444200000000, -0.0003043500000000, -0.0006048500000000 ] - [ 0.0005750200000000, 0.0020887600000000, -0.0010718500000000 ] - [ -0.0003806900000000, 0.0020924800000000, -0.0000405300000000 ] - [ -0.0000766200000000, 0.0006509800000000, -0.0010047500000000 ] - [ 0.0004335000000000, 0.0014525700000000, -0.0003883000000000 ] - [ 0.0002777600000000, 0.0018676600000000, -0.0007221500000000 ] - [ -0.0007842800000000, 0.0010624200000000, 0.0001303400000000 ] - [ -0.0007018700000000, 0.0030961100000000, -0.0000595700000000 ] - [ 0.0004744500000000, 0.0040063900000000, 0.0009752900000000 ] - [ 0.0003111800000000, -0.0021318300000000, -0.0004734900000000 ] - [ 0.0000996700000000, 0.0033011500000000, 0.0022770700000000 ] - [ -0.0001004900000000, 0.0009837300000000, 0.0012531400000000 ] - [ -0.0004255100000000, -0.0004176200000000, 0.0009151700000000 ] - [ 0.0214181200000000, 0.1234888300000000, 0.0021685100000000 ] - [ 0.0002783100000000, 0.0033152400000000, -0.0009092500000000 ] - [ 0.0004811400000000, 0.0019660500000000, 0.0005737500000000 ] - [ -0.0015311000000000, -0.0038208800000000, 0.0022253100000000 ] - [ -0.0004051000000000, -0.0006941000000000, -0.0000105000000000 ] - [ 0.0003273400000000, -0.0009455400000000, -0.0003191800000000 ] - [ 0.0235708700000000, 0.1301640600000000, -0.0016971200000000 ] - [ -0.0000837600000000, 0.0008431000000000, -0.0000129200000000 ] - [ -0.0002667900000000, -0.0018401600000000, -0.0001885400000000 ] - [ -0.0047096600000000, 0.0011847000000000, -0.0017667600000000 ] - [ -0.0001387800000000, 0.0011266900000000, -0.0009414100000000 ] - [ -0.0008253600000000, 0.0016076400000000, 0.0009772900000000 ] - [ -0.0006292800000000, 0.0056018900000000, 0.0028921600000000 ] - [ -0.0003888200000000, 0.0007864500000000, 0.0002885400000000 ] - [ 0.0009222500000000, 0.0003511200000000, -0.0004187600000000 ] - [ 0.0004903700000000, 0.0004753100000000, -0.0001210200000000 ] - [ 0.0004903000000000, 0.0013881800000000, -0.0000524100000000 ] - [ 0.0003158200000000, -0.0007481000000000, -0.0022686800000000 ] - [ 0.0001968700000000, -0.0010835800000000, 0.0004178000000000 ] - [ 0.0010346200000000, 0.0021025300000000, -0.0001723800000000 ] - [ -0.0001188500000000, 0.0007602900000000, -0.0000494400000000 ] - [ 0.0001958100000000, 0.0009994900000000, -0.0004930500000000 ] - [ -0.0006412400000000, -0.0008484100000000, 0.0006325400000000 ] - [ 0.0001575300000000, -0.0002275300000000, 0.0003374300000000 ] - [ 0.0018370300000000, -0.0025916600000000, 0.0001791600000000 ] - [ 0.0008151300000000, -0.0007708600000000, -0.0004778400000000 ] - [ -0.0008206300000000, -0.0008098500000000, -0.0000925800000000 ] - [ -0.0003921600000000, -0.0003748900000000, 0.0001761600000000 ] - [ -0.0000909500000000, -0.0012638600000000, 0.0002520800000000 ] - [ 0.0000720600000000, 0.0016840400000000, 0.0005032000000000 ] - [ -0.0008519600000000, -0.0009872700000000, -0.0018826800000000 ] - [ -0.0002435200000000, -0.0009890500000000, 0.0009975100000000 ] - [ 0.0000435500000000, 0.0018553200000000, 0.0009622200000000 ] - [ -0.0006196600000000, -0.0056396600000000, -0.0013723500000000 ] - [ 0.0003906400000000, 0.0017110000000000, 0.0002255600000000 ] - [ -0.0009275800000000, 0.0003890800000000, -0.0000334300000000 ] - [ 0.0007132700000000, -0.0012835400000000, 0.0003340900000000 ] - [ 0.0003300700000000, -0.0022502300000000, 0.0014792300000000 ] - [ 0.0001331300000000, 0.0003450200000000, -0.0002297200000000 ] - [ -0.0012383200000000, 0.0032028300000000, 0.0022005300000000 ] - [ -0.0018518500000000, 0.0040339900000000, -0.0025568500000000 ] - [ -0.0006062400000000, -0.0020186700000000, 0.0024629000000000 ] - [ 0.0002377400000000, -0.0001374900000000, -0.0012822400000000 ] - [ -0.0003232600000000, -0.0000343100000000, 0.0002370100000000 ] - [ -0.0004015000000000, -0.0014967300000000, 0.0008702100000000 ] - [ 0.0003188000000000, -0.0005902900000000, -0.0015305400000000 ] - [ -0.0004028600000000, -0.0013137900000000, 0.0021188600000000 ] - [ -0.0007980300000000, 0.0063302100000000, -0.0031535000000000 ] - [ 0.0000119500000000, 0.0017297900000000, -0.0001959900000000 ] - [ 0.0000686900000000, 0.0040134100000000, 0.0026332500000000 ] - [ -0.0044712100000000, 0.0016016600000000, 0.0014863200000000 ] - [ 0.0006513500000000, 0.0044642000000000, -0.0017626900000000 ] - [ 0.0002951400000000, 0.0009704800000000, 0.0001869400000000 ] - [ -0.0002871000000000, -0.0017467400000000, -0.0001509400000000 ] - [ -0.0001656100000000, -0.0010519800000000, 0.0008955700000000 ] - [ -0.0003900900000000, -0.0024928400000000, -0.0001479900000000 ] - [ -0.0002989100000000, -0.0005775100000000, 0.0002629700000000 ] - [ 0.0001302000000000, -0.0009922900000000, 0.0007876300000000 ] - [ 0.0002750100000000, -0.0004545700000000, -0.0000427300000000 ] - [ -0.0004596700000000, 0.0000059200000000, 0.0009863300000000 ] - [ -0.0005452300000000, -0.0009612600000000, 0.0005201700000000 ] - [ 0.0001164700000000, 0.0000311400000000, -0.0006624000000000 ] - [ 0.0000061100000000, -0.0006372200000000, 0.0000123200000000 ] - [ 0.0003515400000000, -0.0007938100000000, 0.0002816900000000 ] - [ -0.0002649800000000, 0.0000832700000000, 0.0006086300000000 ] - [ -0.0001411700000000, -0.0006660900000000, -0.0000657700000000 ] - [ -0.0003483200000000, -0.0013053200000000, -0.0003294600000000 ] - [ 0.0000015600000000, -0.0005164900000000, 0.0009759800000000 ] - [ 0.0001863300000000, -0.0012103000000000, -0.0003065000000000 ] - [ 0.0000463800000000, -0.0008531600000000, -0.0000063600000000 ] - [ 0.0007258500000000, -0.0003493100000000, -0.0004430900000000 ] - [ 0.0005033000000000, -0.0003804600000000, -0.0000096400000000 ] - [ 0.0005254600000000, -0.0006890700000000, 0.0010133300000000 ] - [ 0.0002206200000000, -0.0002599300000000, -0.0002891300000000 ] - [ 0.0002783700000000, -0.0001935500000000, 0.0006063000000000 ] - [ -0.0000259600000000, -0.0004522000000000, -0.0001924400000000 ] - [ -0.0001043100000000, -0.0004350100000000, -0.0001748500000000 ] - [ -0.0001953200000000, -0.0014436400000000, -0.0004502800000000 ] - [ -0.0006285600000000, -0.0017039100000000, 0.0005229200000000 ] - [ 0.0001827700000000, 0.0008911900000000, 0.0007322500000000 ] - [ 0.0005785100000000, -0.0012173100000000, 0.0002297800000000 ] - [ 0.0010828500000000, -0.0015657300000000, -0.0005793200000000 ] - [ -0.0010076900000000, -0.0015105100000000, -0.0000675300000000 ] - [ -0.0006038600000000, 0.0006053500000000, 0.0005198300000000 ] - [ -0.0000665800000000, -0.0001476000000000, -0.0001400000000000 ] - [ 0.0000117900000000, -0.0003559900000000, 0.0008569100000000 ] - [ -0.0000445600000000, -0.0001175800000000, 0.0000106800000000 ] - [ -0.0002598100000000, 0.0021261600000000, 0.0003301600000000 ] - [ 0.0000607900000000, -0.0005491100000000, 0.0009759100000000 ] - [ 0.0004560800000000, -0.0017955900000000, -0.0001220000000000 ] - [ -0.0000045500000000, -0.0007381700000000, 0.0001855800000000 ] - [ -0.0006646300000000, -0.0004051000000000, 0.0000689400000000 ] - [ -0.0005534400000000, 0.0001053100000000, 0.0002831100000000 ] - [ 0.0003324300000000, -0.0003188800000000, 0.0006767400000000 ] - [ 0.0001478300000000, -0.0008479900000000, -0.0001051000000000 ] - [ 0.0003274200000000, -0.0012600300000000, -0.0002493000000000 ] - [ -0.0002960600000000, -0.0004091300000000, -0.0001231500000000 ] - [ 0.0002033000000000, -0.0011533600000000, 0.0005789600000000 ] - [ 0.0000984900000000, -0.0004032800000000, -0.0018134000000000 ] - [ -0.0001852900000000, -0.0005841400000000, 0.0000199200000000 ] - [ -0.0003190100000000, -0.0006001700000000, 0.0006801700000000 ] - [ 0.0004570100000000, -0.0011386000000000, -0.0013089200000000 ] - [ -0.0004986000000000, -0.0008308200000000, 0.0001459100000000 ] - [ -0.0000044500000000, -0.0005050100000000, 0.0000421900000000 ] - [ -0.0000207500000000, -0.0004826100000000, -0.0001926200000000 ] - [ -0.0000470400000000, -0.0002963600000000, 0.0009647000000000 ] - [ 0.0001113200000000, -0.0002533800000000, -0.0002142600000000 ] - [ 0.0002675800000000, -0.0006043200000000, 0.0006754800000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005038800000000, 0.0003895200000000, -0.0004146500000000 ] - [ 0.0009275400000000, 0.0005059600000000, 0.0009676400000000 ] - [ -0.0009275400000000, -0.0005059600000000, 0.0009676400000000 ] - [ -0.0005038800000000, -0.0003895200000000, -0.0004146500000000 ] - [ -0.0006022900000000, 0.0029730600000000, -0.0009173700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0076642300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0317468800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025407200000000 ] - [ -0.0003597800000000, -0.0003457500000000, -0.0004265300000000 ] - [ 0.0006277600000000, 0.0007005900000000, 0.0001201500000000 ] - [ -0.0006277600000000, -0.0007005900000000, 0.0001201500000000 ] - [ 0.0006022900000000, -0.0029730600000000, -0.0009173700000000 ] - [ 0.0000242600000000, 0.0015198200000000, 0.0012675300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033149500000000 ] - [ -0.0000242600000000, -0.0015198200000000, 0.0012675300000000 ] - [ 0.0003597800000000, 0.0003457500000000, -0.0004265300000000 ] - [ 0.0004241200000000, 0.0004334600000000, -0.0005516200000000 ] - [ 0.0006616900000000, -0.0005672700000000, -0.0000896100000000 ] - [ -0.0006616900000000, 0.0005672700000000, -0.0000896100000000 ] - [ -0.0004241200000000, -0.0004334600000000, -0.0005516200000000 ] - [ 0.0000569200000000, 0.0000251700000000, 0.0000966400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003667500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005988600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005077600000000 ] - [ -0.0002019500000000, -0.0005732300000000, -0.0005399200000000 ] - [ 0.0008499900000000, 0.0046815400000000, -0.0008916500000000 ] - [ -0.0008499900000000, -0.0046815400000000, -0.0008916500000000 ] - [ -0.0000569200000000, -0.0000251700000000, 0.0000966400000000 ] - [ 0.0000154500000000, 0.0000567000000000, -0.0001071200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002428700000000 ] - [ -0.0000154500000000, -0.0000567000000000, -0.0001071200000000 ] - [ 0.0002019500000000, 0.0005732300000000, -0.0005399200000000 ] - [ -0.0002091400000000, 0.0000251400000000, 0.0003216700000000 ] - [ 0.0115597700000000, 0.0000382000000000, 0.0108616100000000 ] - [ 0.0002091400000000, -0.0000251400000000, 0.0003216700000000 ] - [ 0.0115442100000000, 0.0003855900000000, 0.0094835100000000 ] - [ 0.0002007300000000, -0.0008344400000000, -0.0009014900000000 ] - [ 0.0003627700000000, -0.0002601200000000, 0.0007903100000000 ] - [ 0.0021259900000000, 0.0106821600000000, -0.0016583600000000 ] - [ -0.0002007300000000, 0.0008344400000000, -0.0009014900000000 ] - [ 0.0002344100000000, -0.0020725700000000, 0.0016543400000000 ] - [ -0.0002344100000000, 0.0020725700000000, 0.0016543400000000 ] - [ -0.0012905300000000, 0.0036884300000000, -0.0029702000000000 ] - [ -0.0021259900000000, -0.0106821600000000, -0.0016583600000000 ] - [ 0.0012905300000000, -0.0036884300000000, -0.0029702000000000 ] - [ -0.0115442100000000, -0.0003855900000000, 0.0094835100000000 ] - [ -0.0115597700000000, -0.0000382000000000, 0.0108616100000000 ] - [ -0.0003627700000000, 0.0002601200000000, 0.0007903100000000 ] - [ -0.0003150100000000, 0.0005416600000000, -0.0017265100000000 ] - [ 0.0007377200000000, -0.0009823200000000, 0.0000918200000000 ] - [ 0.0003150100000000, -0.0005416600000000, -0.0017265100000000 ] - [ 0.0007499700000000, 0.0008992300000000, 0.0000012400000000 ] - [ 0.0002811500000000, -0.0031190300000000, 0.0013722600000000 ] - [ 0.0006435900000000, 0.0001204600000000, -0.0015988900000000 ] - [ -0.0004833600000000, 0.0000896400000000, -0.0005055900000000 ] - [ -0.0002811500000000, 0.0031190300000000, 0.0013722600000000 ] - [ 0.0004836000000000, -0.0000636300000000, -0.0006137200000000 ] - [ -0.0004836000000000, 0.0000636300000000, -0.0006137200000000 ] - [ -0.0001892400000000, -0.0004888900000000, -0.0007655200000000 ] - [ 0.0004833600000000, -0.0000896400000000, -0.0005055900000000 ] - [ 0.0001892400000000, 0.0004888900000000, -0.0007655200000000 ] - [ -0.0007499700000000, -0.0008992300000000, 0.0000012400000000 ] - [ -0.0007377200000000, 0.0009823200000000, 0.0000918200000000 ] - [ -0.0006435900000000, -0.0001204600000000, -0.0015988900000000 ] - [ 0.0002833300000000, -0.0006788900000000, 0.0001896400000000 ] - [ -0.0013991400000000, 0.0023256800000000, 0.0004901700000000 ] - [ -0.0009297400000000, 0.0006398900000000, -0.0020636200000000 ] - [ -0.0005365300000000, -0.0013095300000000, -0.0004371500000000 ] - [ -0.0016271000000000, 0.0034399700000000, 0.0083818300000000 ] - [ 0.0035201700000000, -0.0018987500000000, 0.0002212300000000 ] - [ 0.0012895500000000, 0.0028996100000000, -0.0014618700000000 ] - [ -0.0009467200000000, -0.0012004000000000, 0.0018036700000000 ] - [ -0.0003353200000000, -0.0001538800000000, -0.0008461000000000 ] - [ 0.0003450600000000, -0.0003705800000000, -0.0001066500000000 ] - [ 0.0016271000000000, -0.0034399700000000, 0.0083818300000000 ] - [ -0.0001540500000000, 0.0000146800000000, -0.0009200300000000 ] - [ -0.0003366700000000, -0.0001268800000000, 0.0006501800000000 ] - [ 0.0011226100000000, -0.0002640500000000, 0.0019675800000000 ] - [ -0.0012895500000000, -0.0028996100000000, -0.0014618700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002817400000000 ] - [ 0.0017652700000000, 0.0023865300000000, 0.0008154900000000 ] - [ 0.0001540500000000, -0.0000146800000000, -0.0009200300000000 ] - [ 0.0008635600000000, 0.0005750300000000, -0.0004661100000000 ] - [ 0.0005375200000000, 0.0001947500000000, -0.0002536800000000 ] - [ 0.0005365300000000, 0.0013095300000000, -0.0004371500000000 ] - [ 0.0002562900000000, -0.0005805100000000, 0.0002554000000000 ] - [ 0.0003134600000000, 0.0010650300000000, 0.0014388600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004513900000000 ] - [ -0.0005959300000000, 0.0001561800000000, -0.0014963100000000 ] - [ -0.0010085400000000, -0.0022283900000000, -0.0031443000000000 ] - [ -0.0005375200000000, -0.0001947500000000, -0.0002536800000000 ] - [ 0.0001336600000000, 0.0006080400000000, 0.0002978300000000 ] - [ 0.0003228800000000, -0.0014240500000000, 0.0009348200000000 ] - [ 0.0009140400000000, -0.0006676300000000, -0.0005090600000000 ] - [ -0.0008635600000000, -0.0005750300000000, -0.0004661100000000 ] - [ -0.0003450600000000, 0.0003705800000000, -0.0001066500000000 ] - [ -0.0001336600000000, -0.0006080400000000, 0.0002978300000000 ] - [ 0.0009297400000000, -0.0006398900000000, -0.0020636200000000 ] - [ 0.0006554600000000, -0.0000703700000000, 0.0005702200000000 ] - [ -0.0002833300000000, 0.0006788900000000, 0.0001896400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003664400000000 ] - [ 0.0009467200000000, 0.0012004000000000, 0.0018036700000000 ] - [ 0.0010085400000000, 0.0022283900000000, -0.0031443000000000 ] - [ -0.0009140400000000, 0.0006676300000000, -0.0005090600000000 ] - [ -0.0003228800000000, 0.0014240500000000, 0.0009348200000000 ] - [ 0.0003366700000000, 0.0001268800000000, 0.0006501800000000 ] - [ 0.0005959300000000, -0.0001561800000000, -0.0014963100000000 ] - [ 0.0012263800000000, 0.0024369900000000, -0.0007785100000000 ] - [ -0.0012263800000000, -0.0024369900000000, -0.0007785100000000 ] - [ -0.0006554600000000, 0.0000703700000000, 0.0005702200000000 ] - [ 0.0003353200000000, 0.0001538800000000, -0.0008461000000000 ] - [ -0.0003530200000000, 0.0006048200000000, -0.0010975100000000 ] - [ -0.0003134600000000, -0.0010650300000000, 0.0014388600000000 ] - [ 0.0003530200000000, -0.0006048200000000, -0.0010975100000000 ] - [ -0.0002562900000000, 0.0005805100000000, 0.0002554000000000 ] - [ -0.0017652700000000, -0.0023865300000000, 0.0008154900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022217100000000 ] - [ -0.0035201700000000, 0.0018987500000000, 0.0002212300000000 ] - [ -0.0011226100000000, 0.0002640500000000, 0.0019675800000000 ] - [ 0.0013991400000000, -0.0023256800000000, 0.0004901700000000 ] - [ 0.0010629200000000, -0.0038972000000000, -0.0025992400000000 ] - [ -0.0002729400000000, -0.0004882700000000, 0.0003066700000000 ] - [ -0.0000963100000000, -0.0003442400000000, 0.0009343300000000 ] - [ -0.0004110900000000, -0.0009585600000000, 0.0006314200000000 ] - [ -0.0001407800000000, 0.0000678600000000, 0.0000914300000000 ] - [ 0.0000784300000000, -0.0003506200000000, 0.0008124000000000 ] - [ 0.0003159800000000, 0.0004472500000000, -0.0001763900000000 ] - [ -0.0004956200000000, 0.0007918700000000, 0.0002553700000000 ] - [ -0.0002405300000000, 0.0002099200000000, 0.0000378500000000 ] - [ 0.0006034800000000, -0.0011662200000000, -0.0006921100000000 ] - [ 0.0001407800000000, -0.0000678600000000, 0.0000914300000000 ] - [ 0.0001598800000000, -0.0000018300000000, 0.0001872300000000 ] - [ -0.0002522200000000, -0.0007738600000000, -0.0002090200000000 ] - [ -0.0001428100000000, -0.0001770200000000, -0.0002065200000000 ] - [ -0.0003159800000000, -0.0004472500000000, -0.0001763900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010004800000000 ] - [ 0.0000925200000000, -0.0003636400000000, -0.0001517300000000 ] - [ -0.0001598800000000, 0.0000018300000000, 0.0001872300000000 ] - [ 0.0010553200000000, 0.0004565900000000, 0.0000442900000000 ] - [ 0.0005679100000000, 0.0005171400000000, 0.0003785200000000 ] - [ 0.0004110900000000, 0.0009585600000000, 0.0006314200000000 ] - [ 0.0003461200000000, 0.0002188600000000, -0.0000795300000000 ] - [ 0.0003114700000000, 0.0002447400000000, 0.0004224500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001859400000000 ] - [ -0.0001207100000000, 0.0002335300000000, -0.0000736200000000 ] - [ -0.0000960700000000, -0.0003336700000000, -0.0001109500000000 ] - [ -0.0005679100000000, -0.0005171400000000, 0.0003785200000000 ] - [ 0.0003169300000000, 0.0011569800000000, -0.0000435100000000 ] - [ 0.0005582700000000, -0.0007347200000000, 0.0001433700000000 ] - [ 0.0006062400000000, -0.0005634100000000, 0.0000290800000000 ] - [ -0.0010553200000000, -0.0004565900000000, 0.0000442900000000 ] - [ -0.0006034800000000, 0.0011662200000000, -0.0006921100000000 ] - [ -0.0003169300000000, -0.0011569800000000, -0.0000435100000000 ] - [ 0.0000963100000000, 0.0003442400000000, 0.0009343300000000 ] - [ -0.0000784300000000, 0.0004238000000000, 0.0002653700000000 ] - [ -0.0010629200000000, 0.0038972000000000, -0.0025992400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009482800000000 ] - [ 0.0004956200000000, -0.0007918700000000, 0.0002553700000000 ] - [ 0.0000960700000000, 0.0003336700000000, -0.0001109500000000 ] - [ -0.0006062400000000, 0.0005634100000000, 0.0000290800000000 ] - [ -0.0005582700000000, 0.0007347200000000, 0.0001433700000000 ] - [ 0.0002522200000000, 0.0007738600000000, -0.0002090200000000 ] - [ 0.0001207100000000, -0.0002335300000000, -0.0000736200000000 ] - [ 0.0003135600000000, -0.0004095900000000, -0.0001978500000000 ] - [ -0.0003135600000000, 0.0004095900000000, -0.0001978500000000 ] - [ 0.0000784300000000, -0.0004238000000000, 0.0002653700000000 ] - [ 0.0002405300000000, -0.0002099200000000, 0.0000378500000000 ] - [ -0.0003353000000000, 0.0004715600000000, -0.0004373600000000 ] - [ -0.0003114700000000, -0.0002447400000000, 0.0004224500000000 ] - [ 0.0003353000000000, -0.0004715600000000, -0.0004373600000000 ] - [ -0.0003461200000000, -0.0002188600000000, -0.0000795300000000 ] - [ -0.0000925200000000, 0.0003636400000000, -0.0001517300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002009700000000 ] - [ -0.0000784300000000, 0.0003506200000000, 0.0008124000000000 ] - [ 0.0001428100000000, 0.0001770200000000, -0.0002065200000000 ] - [ 0.0002729400000000, 0.0004882700000000, 0.0003066700000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002344900000000, -0.0004907500000000, -0.0005770200000000 ] - [ 0.0003673000000000, -0.0017831000000000, -0.0009525800000000 ] - [ -0.0003673000000000, 0.0017831000000000, -0.0009525800000000 ] - [ -0.0002344900000000, 0.0004907500000000, -0.0005770200000000 ] - [ 0.0006866800000000, -0.0030230200000000, 0.0009264900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0082903200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326888800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014362900000000 ] - [ -0.0003769000000000, 0.0002509900000000, -0.0005646300000000 ] - [ 0.0006637400000000, 0.0005929800000000, -0.0000979400000000 ] - [ -0.0006637400000000, -0.0005929800000000, -0.0000979400000000 ] - [ -0.0006866800000000, 0.0030230200000000, 0.0009264900000000 ] - [ 0.0000541000000000, -0.0014692500000000, -0.0012902300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027031100000000 ] - [ -0.0000541000000000, 0.0014692500000000, -0.0012902300000000 ] - [ 0.0003769000000000, -0.0002509900000000, -0.0005646300000000 ] - [ 0.0003125700000000, -0.0005397100000000, -0.0004257200000000 ] - [ 0.0006296800000000, -0.0007244600000000, 0.0001168600000000 ] - [ -0.0006296800000000, 0.0007244600000000, 0.0001168600000000 ] - [ -0.0003125700000000, 0.0005397100000000, -0.0004257200000000 ] - [ 0.0000221200000000, -0.0000501600000000, -0.0001142800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002429900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005070800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005996700000000 ] - [ -0.0005391700000000, 0.0004810000000000, -0.0004384000000000 ] - [ 0.0004372600000000, -0.0034141000000000, 0.0009845800000000 ] - [ -0.0004372600000000, 0.0034141000000000, 0.0009845800000000 ] - [ -0.0000221200000000, 0.0000501600000000, -0.0001142800000000 ] - [ 0.0000634700000000, -0.0000288700000000, 0.0000952100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003686400000000 ] - [ -0.0000634700000000, 0.0000288700000000, 0.0000952100000000 ] - [ 0.0005391700000000, -0.0004810000000000, -0.0004384000000000 ] - [ -0.0004153600000000, -0.0001361600000000, -0.0011896100000000 ] - [ -0.0102855200000000, -0.0019035700000000, -0.0108763200000000 ] - [ 0.0004153600000000, 0.0001361600000000, -0.0011896100000000 ] - [ -0.0098285000000000, 0.0014810400000000, -0.0093166200000000 ] - [ 0.0001517000000000, -0.0003719800000000, -0.0008295300000000 ] - [ 0.0002569400000000, 0.0001194800000000, -0.0016617500000000 ] - [ -0.0033295100000000, -0.0106925900000000, 0.0003563500000000 ] - [ -0.0001517000000000, 0.0003719800000000, -0.0008295300000000 ] - [ 0.0007256100000000, 0.0021024700000000, -0.0027751800000000 ] - [ -0.0007256100000000, -0.0021024700000000, -0.0027751800000000 ] - [ 0.0009745100000000, -0.0048986100000000, 0.0011811500000000 ] - [ 0.0033295100000000, 0.0106925900000000, 0.0003563500000000 ] - [ -0.0009745100000000, 0.0048986100000000, 0.0011811500000000 ] - [ 0.0098285000000000, -0.0014810400000000, -0.0093166200000000 ] - [ 0.0102855200000000, 0.0019035700000000, -0.0108763200000000 ] - [ -0.0002569400000000, -0.0001194800000000, -0.0016617500000000 ] - [ -0.0003073200000000, -0.0006637900000000, 0.0008736200000000 ] - [ 0.0007578300000000, -0.0008755000000000, -0.0000061000000000 ] - [ 0.0003073200000000, 0.0006637900000000, 0.0008736200000000 ] - [ 0.0007442800000000, 0.0009607500000000, 0.0000896800000000 ] - [ 0.0000701000000000, 0.0019362600000000, -0.0031098900000000 ] - [ -0.0000286900000000, -0.0002764100000000, 0.0007669100000000 ] - [ -0.0004718700000000, -0.0000959700000000, -0.0006053800000000 ] - [ -0.0000701000000000, -0.0019362600000000, -0.0031098900000000 ] - [ 0.0004724800000000, 0.0000633400000000, -0.0005007900000000 ] - [ -0.0004724800000000, -0.0000633400000000, -0.0005007900000000 ] - [ -0.0001655300000000, -0.0007338900000000, -0.0009583400000000 ] - [ 0.0004718700000000, 0.0000959700000000, -0.0006053800000000 ] - [ 0.0001655300000000, 0.0007338900000000, -0.0009583400000000 ] - [ -0.0007442800000000, -0.0009607500000000, 0.0000896800000000 ] - [ -0.0007578300000000, 0.0008755000000000, -0.0000061000000000 ] - [ 0.0000286900000000, 0.0002764100000000, 0.0007669100000000 ] - [ 0.0002710900000000, -0.0004610500000000, 0.0003373700000000 ] - [ 0.0008269400000000, -0.0034299300000000, 0.0000554800000000 ] - [ 0.0007339900000000, -0.0013251700000000, 0.0037994400000000 ] - [ -0.0003797100000000, -0.0004754500000000, 0.0013114600000000 ] - [ 0.0011776500000000, -0.0034702700000000, -0.0078868300000000 ] - [ -0.0033590800000000, 0.0012165300000000, 0.0014940100000000 ] - [ -0.0006460200000000, -0.0020192900000000, 0.0010889200000000 ] - [ 0.0000564000000000, 0.0030809300000000, -0.0009741200000000 ] - [ -0.0003075000000000, -0.0004006800000000, -0.0004378100000000 ] - [ 0.0003762800000000, -0.0001989600000000, -0.0000329600000000 ] - [ -0.0011776500000000, 0.0034702700000000, -0.0078868300000000 ] - [ 0.0004588700000000, 0.0000523600000000, 0.0011949100000000 ] - [ -0.0002601100000000, 0.0005520200000000, 0.0006475500000000 ] - [ -0.0014309200000000, -0.0001281200000000, -0.0022730300000000 ] - [ 0.0006460200000000, 0.0020192900000000, 0.0010889200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022419100000000 ] - [ -0.0015880700000000, -0.0030350300000000, -0.0010223400000000 ] - [ -0.0004588700000000, -0.0000523600000000, 0.0011949100000000 ] - [ 0.0008794400000000, 0.0005813500000000, -0.0000419900000000 ] - [ 0.0005955400000000, 0.0011223500000000, 0.0007712700000000 ] - [ 0.0003797100000000, 0.0004754500000000, 0.0013114600000000 ] - [ 0.0004634500000000, 0.0011526100000000, -0.0003743600000000 ] - [ 0.0002834700000000, -0.0006597100000000, -0.0001523200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006276400000000 ] - [ 0.0003434200000000, 0.0002496800000000, 0.0012164500000000 ] - [ 0.0008354400000000, 0.0015427100000000, 0.0028975600000000 ] - [ -0.0005955400000000, -0.0011223500000000, 0.0007712700000000 ] - [ 0.0001161100000000, 0.0004274100000000, 0.0002940100000000 ] - [ 0.0008185500000000, 0.0001005700000000, -0.0004277900000000 ] - [ 0.0008283800000000, -0.0004975800000000, 0.0000008100000000 ] - [ -0.0008794400000000, -0.0005813500000000, -0.0000419900000000 ] - [ -0.0003762800000000, 0.0001989600000000, -0.0000329600000000 ] - [ -0.0001161100000000, -0.0004274100000000, 0.0002940100000000 ] - [ -0.0007339900000000, 0.0013251700000000, 0.0037994400000000 ] - [ -0.0008924600000000, 0.0011149300000000, 0.0000418500000000 ] - [ -0.0002710900000000, 0.0004610500000000, 0.0003373700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021349500000000 ] - [ -0.0000564000000000, -0.0030809300000000, -0.0009741200000000 ] - [ -0.0008354400000000, -0.0015427100000000, 0.0028975600000000 ] - [ -0.0008283800000000, 0.0004975800000000, 0.0000008100000000 ] - [ -0.0008185500000000, -0.0001005700000000, -0.0004277900000000 ] - [ 0.0002601100000000, -0.0005520200000000, 0.0006475500000000 ] - [ -0.0003434200000000, -0.0002496800000000, 0.0012164500000000 ] - [ -0.0006163200000000, -0.0033241100000000, 0.0003939300000000 ] - [ 0.0006163200000000, 0.0033241100000000, 0.0003939300000000 ] - [ 0.0008924600000000, -0.0011149300000000, 0.0000418500000000 ] - [ 0.0003075000000000, 0.0004006800000000, -0.0004378100000000 ] - [ -0.0002905600000000, -0.0000442500000000, -0.0001837700000000 ] - [ -0.0002834700000000, 0.0006597100000000, -0.0001523200000000 ] - [ 0.0002905600000000, 0.0000442500000000, -0.0001837700000000 ] - [ -0.0004634500000000, -0.0011526100000000, -0.0003743600000000 ] - [ 0.0015880700000000, 0.0030350300000000, -0.0010223400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018385700000000 ] - [ 0.0033590800000000, -0.0012165300000000, 0.0014940100000000 ] - [ 0.0014309200000000, 0.0001281200000000, -0.0022730300000000 ] - [ -0.0008269400000000, 0.0034299300000000, 0.0000554800000000 ] - [ -0.0005254700000000, 0.0027942500000000, 0.0031460500000000 ] - [ -0.0002816900000000, -0.0006558500000000, 0.0002156000000000 ] - [ -0.0000805300000000, -0.0003511500000000, 0.0008162700000000 ] - [ -0.0005048500000000, -0.0008417600000000, 0.0002332600000000 ] - [ -0.0001641800000000, -0.0000094700000000, 0.0001840800000000 ] - [ 0.0000988400000000, -0.0003454200000000, 0.0009415100000000 ] - [ 0.0003075000000000, 0.0004040100000000, -0.0001971000000000 ] - [ -0.0004195500000000, 0.0010154500000000, 0.0006097100000000 ] - [ -0.0004033100000000, -0.0007700100000000, -0.0013478300000000 ] - [ 0.0001112300000000, 0.0006081500000000, 0.0005463300000000 ] - [ 0.0001641800000000, 0.0000094700000000, 0.0001840800000000 ] - [ 0.0001449200000000, 0.0000622000000000, 0.0000879800000000 ] - [ -0.0003455900000000, 0.0011923300000000, 0.0015007600000000 ] - [ -0.0001097700000000, -0.0002369900000000, -0.0000732800000000 ] - [ -0.0003075000000000, -0.0004040100000000, -0.0001971000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009505000000000 ] - [ 0.0000982900000000, -0.0003421500000000, -0.0001133400000000 ] - [ -0.0001449200000000, -0.0000622000000000, 0.0000879800000000 ] - [ 0.0006741900000000, 0.0007001900000000, -0.0005592000000000 ] - [ 0.0005638900000000, 0.0008039600000000, 0.0001324900000000 ] - [ 0.0005048500000000, 0.0008417600000000, 0.0002332600000000 ] - [ 0.0003725000000000, 0.0003524700000000, -0.0000666300000000 ] - [ 0.0002855300000000, 0.0001542100000000, 0.0008616800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002010400000000 ] - [ -0.0001317600000000, 0.0001783900000000, -0.0002063100000000 ] - [ -0.0000948500000000, -0.0003709200000000, -0.0001525100000000 ] - [ -0.0005638900000000, -0.0008039600000000, 0.0001324900000000 ] - [ -0.0000700600000000, -0.0001332700000000, 0.0006301000000000 ] - [ 0.0005742300000000, -0.0005917100000000, 0.0003719700000000 ] - [ 0.0011442000000000, -0.0006022700000000, -0.0005442600000000 ] - [ -0.0006741900000000, -0.0007001900000000, -0.0005592000000000 ] - [ -0.0001112300000000, -0.0006081500000000, 0.0005463300000000 ] - [ 0.0000700600000000, 0.0001332700000000, 0.0006301000000000 ] - [ 0.0000805300000000, 0.0003511500000000, 0.0008162700000000 ] - [ -0.0001694600000000, 0.0006127100000000, 0.0003221600000000 ] - [ 0.0005254700000000, -0.0027942500000000, 0.0031460500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010048400000000 ] - [ 0.0004195500000000, -0.0010154500000000, 0.0006097100000000 ] - [ 0.0000948500000000, 0.0003709200000000, -0.0001525100000000 ] - [ -0.0011442000000000, 0.0006022700000000, -0.0005442600000000 ] - [ -0.0005742300000000, 0.0005917100000000, 0.0003719700000000 ] - [ 0.0003455900000000, -0.0011923300000000, 0.0015007600000000 ] - [ 0.0001317600000000, -0.0001783900000000, -0.0002063100000000 ] - [ 0.0003098300000000, -0.0004411600000000, -0.0001740200000000 ] - [ -0.0003098300000000, 0.0004411600000000, -0.0001740200000000 ] - [ 0.0001694600000000, -0.0006127100000000, 0.0003221600000000 ] - [ 0.0004033100000000, 0.0007700100000000, -0.0013478300000000 ] - [ -0.0003075300000000, 0.0000863300000000, -0.0008617900000000 ] - [ -0.0002855300000000, -0.0001542100000000, 0.0008616800000000 ] - [ 0.0003075300000000, -0.0000863300000000, -0.0008617900000000 ] - [ -0.0003725000000000, -0.0003524700000000, -0.0000666300000000 ] - [ -0.0000982900000000, 0.0003421500000000, -0.0001133400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001841400000000 ] - [ -0.0000988400000000, 0.0003454200000000, 0.0009415100000000 ] - [ 0.0001097700000000, 0.0002369900000000, -0.0000732800000000 ] - [ 0.0002816900000000, 0.0006558500000000, 0.0002156000000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019982000000000, 0.0004951200000000, 0.0045749900000000 ] - [ 0.0038396400000000, -0.0075636400000000, -0.0050143200000000 ] - [ -0.0006783300000000, 0.0004465800000000, -0.0000873100000000 ] - [ -0.0003798300000000, -0.0001646400000000, -0.0005061000000000 ] - [ 0.0000568300000000, -0.0002470100000000, 0.0000904900000000 ] - [ 0.0000307700000000, 0.0000173900000000, 0.0004204300000000 ] - [ -0.0000055900000000, 0.0000357700000000, 0.0006561700000000 ] - [ 0.0001371700000000, -0.0007829500000000, 0.0002168200000000 ] - [ -0.0003569900000000, -0.0002672900000000, -0.0004983100000000 ] - [ 0.0053764800000000, -0.0057031700000000, 0.0029959300000000 ] - [ -0.0005605300000000, -0.0009017500000000, 0.0000201300000000 ] - [ 0.0002093600000000, 0.0003341300000000, 0.0002734200000000 ] - [ 0.0024045500000000, 0.0113762600000000, 0.0044265000000000 ] - [ -0.0002806300000000, -0.0001012000000000, -0.0001818500000000 ] - [ -0.0000091700000000, -0.0002450600000000, -0.0001163900000000 ] - [ 0.0028766200000000, -0.0001083700000000, -0.0058465800000000 ] - [ 0.0003464600000000, -0.0003382800000000, -0.0004723300000000 ] - [ 0.0006173300000000, -0.0008709400000000, -0.0000123500000000 ] - [ -0.0006672500000000, 0.0007673600000000, -0.0004412400000000 ] - [ 0.0008958600000000, 0.0003789100000000, -0.0038532400000000 ] - [ -0.0068008400000000, 0.0100185200000000, -0.0035106800000000 ] - [ -0.0002591200000000, 0.0000812300000000, 0.0002240200000000 ] - [ 0.0000669900000000, -0.0004471000000000, 0.0005490900000000 ] - [ -0.0000137900000000, -0.0000642100000000, 0.0004998600000000 ] - [ -0.0011942000000000, 0.0008436100000000, 0.0019825700000000 ] - [ 0.0006421500000000, 0.0004271700000000, 0.0001238600000000 ] - [ -0.0009855800000000, -0.0000840800000000, 0.0002972100000000 ] - [ -0.0001245700000000, -0.0002395300000000, 0.0000247400000000 ] - [ 0.0000558700000000, -0.0002269000000000, -0.0000153300000000 ] - [ 0.0000696000000000, -0.0000894700000000, 0.0002262300000000 ] - [ -0.0000277700000000, 0.0000842500000000, -0.0002457500000000 ] - [ 0.0004006400000000, -0.0002311500000000, -0.0004813500000000 ] - [ -0.3107553600000000, 0.0089350900000000, 0.0027099100000000 ] - [ 0.0007472800000000, -0.0008858800000000, 0.0003926500000000 ] - [ 0.0003864100000000, -0.0005406000000000, -0.0004550100000000 ] - [ 0.0008475900000000, 0.0010056900000000, -0.0003024200000000 ] - [ 0.0002062800000000, -0.0009905700000000, -0.0007741000000000 ] - [ 0.0002329100000000, -0.0006646100000000, -0.0005152600000000 ] - [ -0.0006147900000000, 0.0003729600000000, -0.0007677900000000 ] - [ -0.0000137400000000, 0.0012205900000000, -0.0003075000000000 ] - [ -0.0064393400000000, -0.0132751000000000, 0.0053304500000000 ] - [ -0.0004221300000000, -0.0005877500000000, -0.0005699500000000 ] - [ -0.0000268800000000, 0.0001960800000000, -0.0009805300000000 ] - [ 0.0005078800000000, -0.0002537400000000, -0.0006041100000000 ] - [ 0.0001534900000000, 0.0002799000000000, -0.0009276300000000 ] - [ -0.0006492000000000, -0.0006970700000000, -0.0004064000000000 ] - [ -0.0002418700000000, -0.0001135500000000, 0.0022178400000000 ] - [ 0.1364719100000000, -0.0304478600000000, -0.0007333200000000 ] - [ -0.0002496500000000, -0.0005684800000000, -0.0004148000000000 ] - [ 0.0006788400000000, -0.0007038800000000, 0.0001101100000000 ] - [ 0.0004502300000000, 0.0005983700000000, -0.0004885300000000 ] - [ 0.0009376600000000, -0.0000853200000000, -0.0002135500000000 ] - [ 0.0035208100000000, 0.0005377900000000, -0.0020529500000000 ] - [ 0.0001220800000000, 0.0004139000000000, -0.0007835500000000 ] - [ -0.0004542100000000, -0.0005811800000000, -0.0004991100000000 ] - [ -0.0001116800000000, -0.0001493900000000, -0.0010946500000000 ] - [ 0.0004364800000000, -0.0004065200000000, -0.0004213800000000 ] - [ -0.0005182400000000, 0.0000657600000000, -0.0005234900000000 ] - [ -0.0002142200000000, -0.0011383200000000, -0.0007672600000000 ] - [ 0.0033649800000000, -0.0012634400000000, -0.0001993100000000 ] - [ -0.0038381400000000, -0.0037012600000000, -0.0032293500000000 ] - [ -0.0008760200000000, -0.0014923000000000, -0.0003544800000000 ] - [ -0.0006648200000000, 0.0002760300000000, 0.0010077300000000 ] - [ -0.0003608500000000, -0.0004077200000000, -0.0003536900000000 ] - [ 0.0001325700000000, -0.0003342300000000, -0.0003697900000000 ] - [ -0.0002747000000000, -0.0003564000000000, 0.0004435000000000 ] - [ -0.0000474800000000, -0.0002422400000000, 0.0010671100000000 ] - [ -0.0004663300000000, -0.0004647200000000, 0.0006463000000000 ] - [ -0.0001202800000000, 0.0001165100000000, 0.0000888100000000 ] - [ 0.0000457600000000, -0.0001946000000000, 0.0006863700000000 ] - [ 0.0003237300000000, 0.0005541200000000, -0.0001349400000000 ] - [ -0.0004415600000000, 0.0004775100000000, 0.0006181600000000 ] - [ -0.0002923100000000, -0.0001069200000000, -0.0006436500000000 ] - [ 0.0006522100000000, -0.0004310700000000, -0.0014582500000000 ] - [ 0.0001936600000000, -0.0001941100000000, 0.0000249700000000 ] - [ 0.0000143800000000, 0.0004131500000000, 0.0001023700000000 ] - [ -0.0002222500000000, -0.0002417300000000, 0.0009565200000000 ] - [ -0.0001607600000000, -0.0001145600000000, -0.0001987000000000 ] - [ 0.0006761500000000, -0.0002590300000000, -0.0000375000000000 ] - [ 0.0001074200000000, 0.0000390100000000, 0.0011418200000000 ] - [ 0.0000949300000000, -0.0003145900000000, -0.0000711500000000 ] - [ -0.0018079100000000, 0.0012175300000000, 0.0008164500000000 ] - [ 0.0625296600000000, 0.0236188100000000, 0.0052252900000000 ] - [ -0.0181681200000000, 0.0027464500000000, -0.0002573800000000 ] - [ 0.0279445700000000, -0.0188937500000000, 0.0076452800000000 ] - [ 0.0014832700000000, 0.0020730000000000, -0.0006654700000000 ] - [ 0.0003087200000000, 0.0004213300000000, 0.0006807400000000 ] - [ 0.0002305000000000, 0.0000102600000000, -0.0000568300000000 ] - [ 0.0051173400000000, 0.0001357800000000, 0.0026787100000000 ] - [ -0.0000149600000000, -0.0001519200000000, -0.0002614600000000 ] - [ -0.0005531700000000, -0.0004342100000000, 0.0002583900000000 ] - [ 0.0001263100000000, 0.0006810500000000, 0.0003124100000000 ] - [ 0.0005532300000000, -0.0004333300000000, 0.0002024000000000 ] - [ 0.0664750400000000, 0.0237827000000000, -0.0060523200000000 ] - [ -0.0008687700000000, -0.0003858900000000, -0.0002318000000000 ] - [ -0.0003694500000000, 0.0004232000000000, -0.0000824800000000 ] - [ -0.0004577500000000, -0.0025236900000000, 0.0008699100000000 ] - [ 0.0002353000000000, 0.0007586800000000, 0.0013813800000000 ] - [ 0.0003777600000000, -0.0003842600000000, -0.0006057000000000 ] - [ -0.0002899500000000, 0.0008436600000000, 0.0001060900000000 ] - [ 0.0002619000000000, 0.0000791000000000, 0.0007079800000000 ] - [ 0.0004709300000000, -0.0006645500000000, 0.0005021600000000 ] - [ 0.0008840100000000, 0.0049898100000000, -0.0010817200000000 ] - [ -0.0008756200000000, 0.0007492900000000, -0.0002490500000000 ] - [ -0.0006203300000000, 0.0003303500000000, 0.0002130300000000 ] - [ 0.0002868800000000, 0.0000300300000000, 0.0005702800000000 ] - [ 0.0001713700000000, 0.0000655800000000, -0.0001223000000000 ] - [ 0.0002800600000000, -0.0003241900000000, -0.0010233100000000 ] - [ -0.0003175600000000, 0.0006246500000000, -0.0003055200000000 ] - [ 0.0001160800000000, -0.0003802600000000, 0.0002773500000000 ] - [ -0.0179881600000000, 0.0041151500000000, -0.0014139500000000 ] - [ -0.0003474600000000, 0.0004390000000000, -0.0006065400000000 ] - [ -0.0007115700000000, -0.0004790000000000, 0.0003775400000000 ] - [ 0.0280264900000000, -0.0067491100000000, -0.0131603300000000 ] - [ -0.0003570700000000, -0.0001654100000000, -0.0000544600000000 ] - [ -0.0001089900000000, 0.0002451900000000, -0.0000165800000000 ] - [ -0.0003208800000000, 0.0000904700000000, -0.0004482600000000 ] - [ -0.0000737600000000, 0.0002707000000000, 0.0007208100000000 ] - [ 0.0000962900000000, 0.0000588800000000, -0.0002732100000000 ] - [ 0.0003998000000000, 0.0002797000000000, 0.0004388400000000 ] - [ 0.0001930600000000, 0.0002368300000000, 0.0001699600000000 ] - [ -0.0002477900000000, 0.0008551300000000, 0.0016320100000000 ] - [ -0.0001963400000000, -0.0002428900000000, 0.0012055400000000 ] - [ -0.0004664300000000, -0.0010743000000000, 0.0004320200000000 ] - [ -0.0002032300000000, 0.0001356300000000, -0.0002191500000000 ] - [ -0.0001727000000000, 0.0014256500000000, 0.0004138700000000 ] - [ 0.0004580100000000, 0.0006578300000000, -0.0000296800000000 ] - [ -0.0004473000000000, 0.0013091700000000, 0.0002726100000000 ] - [ -0.0001702300000000, -0.0006122100000000, -0.0004002400000000 ] - [ 0.0002992700000000, -0.0000592000000000, -0.0001007300000000 ] - [ 0.0001898600000000, 0.0002228400000000, 0.0001931200000000 ] - [ 0.0001300800000000, -0.0000179700000000, 0.0001666700000000 ] - [ -0.0003157900000000, 0.0005427100000000, 0.0007568700000000 ] - [ -0.0008520700000000, -0.0018153700000000, -0.0010461100000000 ] - [ -0.0003113100000000, -0.0002128000000000, -0.0001368100000000 ] - [ 0.0002009200000000, 0.0001968200000000, 0.0010877700000000 ] - [ -0.0001885400000000, 0.0006285500000000, -0.0000930500000000 ] - [ -0.0001602500000000, 0.0001098800000000, 0.0001583400000000 ] - [ 0.0008546300000000, 0.0007176000000000, -0.0002747400000000 ] - [ 0.0005753800000000, 0.0008745100000000, 0.0002877300000000 ] - [ 0.0004517400000000, 0.0012151500000000, 0.0002898200000000 ] - [ 0.0003859200000000, 0.0004567000000000, -0.0000604000000000 ] - [ 0.0196111200000000, 0.0008274700000000, -0.0053467600000000 ] - [ -0.0001227700000000, 0.0001407000000000, -0.0001250700000000 ] - [ -0.0001373200000000, 0.0003438300000000, -0.0001225400000000 ] - [ -0.0001101100000000, -0.0003643400000000, -0.0000448700000000 ] - [ -0.0006541100000000, -0.0010145200000000, 0.0004490800000000 ] - [ -0.0008666800000000, -0.0000502500000000, 0.0005525200000000 ] - [ 0.0324679000000000, -0.0143569000000000, 0.0059057600000000 ] - [ 0.0008871700000000, -0.0004219700000000, -0.0002552100000000 ] - [ -0.0009090700000000, -0.0007204000000000, -0.0002417300000000 ] - [ -0.0007770800000000, -0.0006629900000000, 0.0000148500000000 ] - [ -0.0000821400000000, -0.0002615900000000, 0.0002392200000000 ] - [ 0.0001179400000000, 0.0005125000000000, 0.0009500500000000 ] - [ -0.0001367400000000, 0.0007170300000000, 0.0003385400000000 ] - [ -0.0002590500000000, 0.0002706600000000, 0.0001870400000000 ] - [ -0.0004313600000000, 0.0000523200000000, 0.0008526200000000 ] - [ -0.0144981400000000, 0.0046105500000000, 0.0022595100000000 ] - [ 0.0001176600000000, 0.0005676600000000, -0.0002239500000000 ] - [ -0.0008688300000000, 0.0004216900000000, -0.0001900600000000 ] - [ -0.0005792500000000, 0.0008854700000000, 0.0002910200000000 ] - [ -0.0129300600000000, 0.0037884600000000, 0.0007594600000000 ] - [ 0.0001240000000000, -0.0002660700000000, -0.0000507000000000 ] - [ 0.0002626500000000, 0.0000116400000000, -0.0002818000000000 ] - [ -0.0016871000000000, -0.0002566900000000, 0.0002223500000000 ] - [ 0.0032295900000000, 0.0009322700000000, 0.0013404400000000 ] - [ 0.0003454700000000, 0.0004417700000000, -0.0006859800000000 ] - [ -0.0005695900000000, -0.0000139600000000, -0.0004601400000000 ] - [ -0.0002837300000000, 0.0001014600000000, 0.0005579700000000 ] - [ 0.0002948400000000, -0.0001208200000000, -0.0006709500000000 ] - [ -0.0005856600000000, -0.0012772200000000, -0.0005186700000000 ] - [ -0.0001204500000000, 0.0006803900000000, -0.0001933200000000 ] - [ 0.0001374100000000, 0.0000443100000000, -0.0003163800000000 ] - [ -0.0000712500000000, 0.0004266500000000, 0.0008308400000000 ] - [ 0.0001407000000000, 0.0004711600000000, -0.0001201500000000 ] - [ 0.0003003800000000, 0.0009554500000000, 0.0001654500000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0027884600000000, -0.0006007700000000, -0.0055675400000000 ] - [ -0.0026015400000000, 0.0062445500000000, 0.0050291100000000 ] - [ -0.0006129000000000, 0.0008484500000000, 0.0001163800000000 ] - [ -0.0003589600000000, 0.0002664900000000, -0.0004793000000000 ] - [ 0.0000197900000000, 0.0002219600000000, -0.0001062600000000 ] - [ -0.0000320000000000, -0.0000177500000000, 0.0001913700000000 ] - [ 0.0000058000000000, -0.0000358500000000, 0.0004509100000000 ] - [ -0.0001365400000000, 0.0007882100000000, 0.0008909200000000 ] - [ -0.0003819500000000, 0.0001660200000000, -0.0004870300000000 ] - [ -0.0040381200000000, 0.0070676200000000, -0.0030050900000000 ] - [ -0.0007305100000000, -0.0003919900000000, 0.0000078100000000 ] - [ -0.0002889100000000, -0.0003125600000000, -0.0002837200000000 ] - [ -0.0023157500000000, -0.0113968300000000, -0.0044634400000000 ] - [ 0.0002837300000000, 0.0000961000000000, 0.0007937400000000 ] - [ -0.0000671700000000, 0.0002208600000000, 0.0001009400000000 ] - [ -0.0021814800000000, 0.0002025800000000, 0.0048278600000000 ] - [ 0.0003924500000000, 0.0002374200000000, -0.0005131700000000 ] - [ 0.0006737800000000, -0.0004234500000000, 0.0000411200000000 ] - [ -0.0006266800000000, 0.0005302200000000, 0.0004713400000000 ] - [ -0.0016027000000000, -0.0002600700000000, 0.0028884100000000 ] - [ 0.0068256600000000, -0.0099957000000000, 0.0034680000000000 ] - [ 0.0002545900000000, -0.0000747800000000, 0.0003842000000000 ] - [ -0.0000644800000000, 0.0004498700000000, 0.0005561300000000 ] - [ 0.0000131200000000, 0.0000639700000000, 0.0006057800000000 ] - [ 0.0004187000000000, -0.0009430200000000, -0.0029526400000000 ] - [ 0.0006494500000000, 0.0008673400000000, -0.0000958000000000 ] - [ -0.0003005700000000, -0.0012139200000000, -0.0002633500000000 ] - [ 0.0000475000000000, 0.0002659300000000, -0.0000407800000000 ] - [ 0.0000212300000000, 0.0002520500000000, 0.0000002200000000 ] - [ -0.0000678400000000, 0.0000888600000000, 0.0003833400000000 ] - [ -0.0000483100000000, -0.0001072400000000, 0.0002288700000000 ] - [ 0.0003383500000000, 0.0003334000000000, -0.0005039900000000 ] - [ 0.3106610900000000, -0.0081310000000000, -0.0039222500000000 ] - [ 0.0007459000000000, -0.0009878400000000, -0.0003046800000000 ] - [ 0.0002354500000000, 0.0006684700000000, -0.0004027700000000 ] - [ 0.0006480000000000, 0.0008622900000000, 0.0003923300000000 ] - [ 0.0001465600000000, -0.0002256000000000, -0.0009552000000000 ] - [ 0.0003894000000000, 0.0005400000000000, -0.0003426000000000 ] - [ -0.0003416100000000, -0.0003754000000000, -0.0003370700000000 ] - [ -0.0003422700000000, -0.0000055900000000, -0.0014167200000000 ] - [ 0.0074595300000000, 0.0133250100000000, -0.0064457100000000 ] - [ -0.0005373500000000, 0.0005889100000000, -0.0005433900000000 ] - [ -0.0003276400000000, -0.0014242200000000, -0.0007561900000000 ] - [ 0.0004493000000000, 0.0002560400000000, -0.0005066500000000 ] - [ 0.0001993300000000, 0.0009382900000000, -0.0008004100000000 ] - [ -0.0008504900000000, -0.0011679900000000, 0.0004872100000000 ] - [ -0.0012550500000000, 0.0019716600000000, -0.0021389300000000 ] - [ -0.1370459100000000, 0.0305409000000000, -0.0001835500000000 ] - [ -0.0003723500000000, 0.0004427400000000, -0.0004426800000000 ] - [ 0.0008201400000000, -0.0011530800000000, -0.0000269900000000 ] - [ 0.0001731400000000, -0.0004712900000000, -0.0003612300000000 ] - [ 0.0005623200000000, 0.0019318100000000, 0.0003020700000000 ] - [ -0.0031740800000000, -0.0018492200000000, 0.0003676500000000 ] - [ 0.0004987600000000, -0.0005379500000000, -0.0000657800000000 ] - [ -0.0005022600000000, 0.0005804100000000, -0.0006116900000000 ] - [ -0.0002408700000000, 0.0013686200000000, -0.0006339300000000 ] - [ 0.0005202200000000, 0.0004047300000000, -0.0006896900000000 ] - [ -0.0004364800000000, -0.0000621400000000, -0.0005868900000000 ] - [ -0.0001381300000000, -0.0000764400000000, -0.0009625900000000 ] - [ -0.0024042200000000, 0.0013562300000000, -0.0008459200000000 ] - [ 0.0041464200000000, 0.0048449500000000, 0.0014211800000000 ] - [ -0.0006190000000000, -0.0003616300000000, 0.0004556600000000 ] - [ -0.0008341400000000, 0.0015809500000000, -0.0009234300000000 ] - [ -0.0002609700000000, 0.0005348000000000, -0.0005041000000000 ] - [ 0.0004224000000000, -0.0007945200000000, 0.0008921900000000 ] - [ -0.0002792300000000, -0.0007816300000000, 0.0000816600000000 ] - [ -0.0001274600000000, -0.0004597900000000, 0.0006917700000000 ] - [ -0.0004492700000000, -0.0013436500000000, 0.0002178900000000 ] - [ -0.0001757300000000, -0.0000611700000000, 0.0001829400000000 ] - [ 0.0001270400000000, -0.0005039300000000, 0.0010698500000000 ] - [ 0.0003002100000000, 0.0002979500000000, -0.0002400700000000 ] - [ -0.0004743900000000, 0.0013315300000000, 0.0002442100000000 ] - [ -0.0003509900000000, -0.0004544000000000, -0.0006512800000000 ] - [ 0.0000813900000000, -0.0001373200000000, 0.0012831400000000 ] - [ 0.0001016600000000, 0.0001387700000000, 0.0002455400000000 ] - [ 0.0002834500000000, -0.0003615400000000, 0.0001701200000000 ] - [ -0.0003750100000000, 0.0006414100000000, 0.0003148000000000 ] - [ -0.0000964600000000, -0.0002995300000000, -0.0000822700000000 ] - [ -0.0013023000000000, -0.0006148400000000, -0.0003450300000000 ] - [ -0.0001027400000000, -0.0000396400000000, 0.0007958700000000 ] - [ 0.0000951200000000, -0.0003885400000000, -0.0001877800000000 ] - [ 0.0015334800000000, -0.0013077500000000, -0.0005368300000000 ] - [ -0.0542729900000000, -0.0204483500000000, -0.0056336500000000 ] - [ 0.0191756700000000, -0.0014305800000000, 0.0007568600000000 ] - [ -0.0272502800000000, 0.0205713700000000, -0.0066792600000000 ] - [ -0.0007731100000000, -0.0015162100000000, 0.0005085900000000 ] - [ 0.0002883800000000, -0.0000190100000000, 0.0006013100000000 ] - [ -0.0002356500000000, -0.0000108600000000, -0.0003207400000000 ] - [ -0.0054017900000000, 0.0002917600000000, -0.0029625600000000 ] - [ -0.0001745900000000, -0.0005476900000000, 0.0000064500000000 ] - [ -0.0005790400000000, -0.0008897500000000, 0.0002581500000000 ] - [ 0.0001236400000000, 0.0003539100000000, 0.0002760300000000 ] - [ 0.0005790900000000, -0.0008902000000000, 0.0003141600000000 ] - [ -0.0717488400000000, -0.0275137900000000, 0.0056584200000000 ] - [ -0.0008737600000000, -0.0007642300000000, -0.0002773400000000 ] - [ -0.0003545700000000, 0.0001453900000000, -0.0000610300000000 ] - [ 0.0002022900000000, 0.0015046200000000, -0.0002993100000000 ] - [ -0.0000546700000000, -0.0000484600000000, 0.0003723900000000 ] - [ -0.0006167000000000, 0.0014196200000000, 0.0011838200000000 ] - [ -0.0002642800000000, 0.0002925100000000, 0.0004208300000000 ] - [ -0.0002659400000000, -0.0000770800000000, 0.0012304500000000 ] - [ 0.0004447400000000, -0.0011432900000000, 0.0003623300000000 ] - [ -0.0006989400000000, -0.0043139100000000, 0.0008289900000000 ] - [ -0.0008671300000000, 0.0004000800000000, -0.0002601200000000 ] - [ -0.0005114700000000, 0.0009927500000000, 0.0003001600000000 ] - [ 0.0003102600000000, -0.0004333000000000, 0.0007122200000000 ] - [ 0.0000856800000000, -0.0004798300000000, -0.0001577900000000 ] - [ 0.0003433500000000, -0.0005245700000000, 0.0006522400000000 ] - [ -0.0003057400000000, 0.0002276200000000, -0.0000699500000000 ] - [ 0.0001341600000000, -0.0006552800000000, 0.0003110700000000 ] - [ 0.0186819700000000, -0.0035530800000000, 0.0001185400000000 ] - [ -0.0002958000000000, 0.0001214700000000, -0.0006877500000000 ] - [ 0.0001153000000000, 0.0000829400000000, 0.0009061200000000 ] - [ -0.0275766800000000, 0.0064549700000000, 0.0125464000000000 ] - [ -0.0003671100000000, -0.0004038900000000, -0.0000894600000000 ] - [ -0.0000799500000000, 0.0004564300000000, -0.0002458800000000 ] - [ 0.0003249300000000, -0.0000895800000000, 0.0000732100000000 ] - [ -0.0000978300000000, 0.0004307500000000, 0.0010315000000000 ] - [ 0.0001622700000000, 0.0003558000000000, -0.0000093400000000 ] - [ 0.0001564200000000, 0.0008553900000000, 0.0000897300000000 ] - [ 0.0003607700000000, -0.0013772100000000, 0.0003565400000000 ] - [ -0.0003029100000000, -0.0019661600000000, -0.0010804400000000 ] - [ 0.0000210700000000, -0.0004551800000000, 0.0005556400000000 ] - [ -0.0004496800000000, -0.0007371100000000, 0.0004291900000000 ] - [ -0.0001043200000000, -0.0000868500000000, 0.0004939700000000 ] - [ 0.0003501600000000, -0.0021200800000000, 0.0013418600000000 ] - [ 0.0001649000000000, 0.0001930800000000, -0.0003494600000000 ] - [ -0.0004687200000000, 0.0004968900000000, 0.0005923100000000 ] - [ -0.0004735500000000, 0.0000513200000000, -0.0008934500000000 ] - [ 0.0004253000000000, -0.0005101900000000, -0.0000423400000000 ] - [ 0.0001056200000000, -0.0002788700000000, 0.0000784500000000 ] - [ 0.0001661500000000, 0.0000739800000000, 0.0001036700000000 ] - [ -0.0002811600000000, -0.0001407000000000, 0.0005252200000000 ] - [ 0.0006202500000000, 0.0013779200000000, 0.0007804500000000 ] - [ -0.0003124100000000, -0.0006384500000000, -0.0002389100000000 ] - [ -0.0001947600000000, -0.0001949600000000, 0.0008508000000000 ] - [ 0.0003798900000000, -0.0013502700000000, -0.0001755100000000 ] - [ -0.0001354800000000, -0.0001651000000000, 0.0001135900000000 ] - [ 0.0008882400000000, 0.0004320100000000, -0.0002344300000000 ] - [ 0.0005569400000000, 0.0004481500000000, 0.0002287400000000 ] - [ 0.0004641800000000, 0.0005921800000000, 0.0005747000000000 ] - [ 0.0003382600000000, 0.0001114800000000, -0.0000831800000000 ] - [ -0.0189002000000000, -0.0006091300000000, 0.0061115600000000 ] - [ 0.0001179900000000, -0.0001404800000000, -0.0002541200000000 ] - [ -0.0001202400000000, 0.0000706500000000, -0.0001581500000000 ] - [ -0.0000806100000000, -0.0003376400000000, -0.0002108100000000 ] - [ -0.0004768100000000, -0.0003102500000000, 0.0000655700000000 ] - [ 0.0011011500000000, 0.0010979200000000, 0.0000200500000000 ] - [ -0.0311375800000000, 0.0127753700000000, -0.0052932400000000 ] - [ 0.0008552900000000, -0.0007283800000000, -0.0002538400000000 ] - [ -0.0008298300000000, -0.0004293700000000, -0.0002694100000000 ] - [ 0.0000627800000000, 0.0012329400000000, -0.0001656300000000 ] - [ -0.0001681100000000, -0.0007744700000000, 0.0003491300000000 ] - [ 0.0000553600000000, 0.0001866700000000, 0.0008054900000000 ] - [ -0.0001129700000000, 0.0003175500000000, 0.0002493000000000 ] - [ -0.0002949400000000, 0.0008866700000000, 0.0003238400000000 ] - [ 0.0004289700000000, -0.0000532200000000, 0.0010872700000000 ] - [ 0.0155635900000000, -0.0064818500000000, -0.0014008700000000 ] - [ 0.0000730200000000, 0.0001357900000000, -0.0000340100000000 ] - [ -0.0008778700000000, 0.0007273500000000, -0.0003208900000000 ] - [ -0.0005530900000000, 0.0004370400000000, 0.0002254700000000 ] - [ 0.0134843800000000, -0.0041300400000000, 0.0005197300000000 ] - [ 0.0001323300000000, -0.0001477500000000, -0.0002315600000000 ] - [ 0.0003612300000000, -0.0008620300000000, -0.0000928800000000 ] - [ 0.0010614500000000, 0.0011013100000000, -0.0005937500000000 ] - [ -0.0029466100000000, -0.0019647100000000, -0.0007493300000000 ] - [ 0.0002980900000000, 0.0001189100000000, -0.0006085600000000 ] - [ -0.0000718300000000, 0.0005711300000000, -0.0008444500000000 ] - [ -0.0003133700000000, -0.0005053600000000, 0.0007246800000000 ] - [ 0.0003487100000000, -0.0004401400000000, -0.0006240600000000 ] - [ -0.0001661100000000, 0.0007185300000000, 0.0003958600000000 ] - [ -0.0000689200000000, 0.0000231500000000, -0.0000676900000000 ] - [ -0.0001337800000000, -0.0000456500000000, -0.0000591100000000 ] - [ -0.0001018900000000, 0.0002707200000000, 0.0009269800000000 ] - [ 0.0001171600000000, -0.0000572100000000, -0.0001606700000000 ] - [ 0.0002531200000000, 0.0001788200000000, 0.0003588000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0060928200000000, -0.0102231300000000, 0.0040878900000000 ] - [ -0.0110645800000000, 0.0112394000000000, 0.0137516700000000 ] - [ -0.0003286900000000, 0.0026449100000000, 0.0003238200000000 ] - [ -0.0002327400000000, 0.0020133100000000, -0.0004251800000000 ] - [ 0.0001430900000000, 0.0016681200000000, -0.0002671300000000 ] - [ -0.0002201500000000, 0.0005507200000000, 0.0004736100000000 ] - [ 0.0001377900000000, 0.0005062100000000, 0.0006330100000000 ] - [ -0.0010224500000000, 0.0039413400000000, 0.0007524600000000 ] - [ -0.0005149400000000, 0.0019094700000000, -0.0004899100000000 ] - [ -0.0193035600000000, 0.0094771900000000, -0.0084961200000000 ] - [ -0.0010868600000000, 0.0014978500000000, 0.0000136300000000 ] - [ -0.0008544100000000, -0.0016446400000000, -0.0011541400000000 ] - [ 0.0057453700000000, 0.0038339000000000, 0.0048664900000000 ] - [ 0.0012970700000000, 0.0039826400000000, 0.0009249700000000 ] - [ -0.0001281100000000, 0.0024048100000000, 0.0003679700000000 ] - [ -0.0033951500000000, -0.0086591700000000, 0.0022728100000000 ] - [ 0.0005260200000000, 0.0020326500000000, -0.0005850000000000 ] - [ 0.0008855000000000, 0.0009845000000000, 0.0001474000000000 ] - [ -0.0003131800000000, -0.0005929500000000, 0.0016687600000000 ] - [ -0.0044656900000000, -0.0068685000000000, 0.0020635600000000 ] - [ 0.0168458800000000, 0.0150471100000000, -0.0083119000000000 ] - [ 0.0002580100000000, 0.0030502000000000, 0.0012263800000000 ] - [ 0.0003772800000000, 0.0033610600000000, 0.0011548700000000 ] - [ -0.0000692400000000, 0.0008270600000000, 0.0003648500000000 ] - [ 0.0028711700000000, -0.0076957600000000, 0.0004214000000000 ] - [ 0.0005062600000000, 0.0022420600000000, -0.0003732800000000 ] - [ -0.0000662000000000, -0.0030846700000000, -0.0013303400000000 ] - [ 0.0002217500000000, 0.0024433300000000, -0.0001425700000000 ] - [ -0.0001706800000000, 0.0017493100000000, -0.0000335100000000 ] - [ -0.0000962900000000, 0.0009162600000000, 0.0000666000000000 ] - [ 0.0002522700000000, -0.0007904100000000, 0.0016787300000000 ] - [ 0.0001897900000000, 0.0021172600000000, -0.0005136100000000 ] - [ 0.0081142100000000, -0.3999781700000000, -0.0094007800000000 ] - [ 0.0006290300000000, -0.0002713600000000, -0.0016578800000000 ] - [ -0.0002933400000000, 0.0048736400000000, -0.0004226300000000 ] - [ -0.0000768200000000, 0.0068876000000000, 0.0036997000000000 ] - [ -0.0000860400000000, 0.0030723100000000, -0.0018992600000000 ] - [ 0.0009133400000000, 0.0047282000000000, -0.0000966700000000 ] - [ 0.0002959200000000, -0.0032228200000000, 0.0026659100000000 ] - [ -0.0000910200000000, -0.0027697500000000, -0.0061644500000000 ] - [ 0.0103126400000000, 0.0439674200000000, -0.0281284700000000 ] - [ -0.0007739300000000, 0.0041388400000000, -0.0003190600000000 ] - [ 0.0000297600000000, -0.0045974400000000, 0.0025680000000000 ] - [ 0.0001971300000000, 0.0031974400000000, 0.0003937700000000 ] - [ 0.0004094200000000, 0.0041138200000000, 0.0001084500000000 ] - [ -0.0004736700000000, 0.0020603300000000, 0.0030245800000000 ] - [ -0.0019540600000000, 0.0049476000000000, -0.0068825100000000 ] - [ 0.0301596700000000, -0.0342448100000000, -0.0013278100000000 ] - [ -0.0008164200000000, 0.0040200500000000, -0.0002404300000000 ] - [ 0.0011503800000000, 0.0049336800000000, -0.0027237600000000 ] - [ 0.0008468800000000, -0.0066679800000000, 0.0011645000000000 ] - [ 0.0002685600000000, 0.0050142900000000, 0.0013152400000000 ] - [ -0.0008475700000000, -0.0046095900000000, -0.0046127900000000 ] - [ -0.0001645600000000, -0.0064987900000000, -0.0000682100000000 ] - [ -0.0004802900000000, 0.0041256400000000, -0.0009574600000000 ] - [ -0.0005704900000000, 0.0051401100000000, 0.0001019300000000 ] - [ 0.0008117400000000, 0.0037194900000000, -0.0017354200000000 ] - [ -0.0011217400000000, -0.0023824000000000, -0.0033308300000000 ] - [ 0.0001435600000000, 0.0032749900000000, -0.0014809400000000 ] - [ 0.0005676500000000, -0.0006092600000000, 0.0028024900000000 ] - [ 0.0027407700000000, 0.0171625600000000, 0.0237861200000000 ] - [ -0.0005187600000000, 0.0021350400000000, 0.0018039200000000 ] - [ -0.0010800000000000, 0.0070491300000000, -0.0037681200000000 ] - [ 0.0001599900000000, 0.0040398100000000, -0.0008775900000000 ] - [ -0.0004401900000000, -0.0017303900000000, 0.0042132000000000 ] - [ -0.0002496200000000, -0.0032280200000000, -0.0015155700000000 ] - [ -0.0002502100000000, -0.0024131200000000, 0.0000171300000000 ] - [ -0.0003586200000000, -0.0041111700000000, -0.0009935800000000 ] - [ -0.0003498900000000, -0.0010031400000000, 0.0002862000000000 ] - [ 0.0001901700000000, -0.0012197500000000, 0.0013489700000000 ] - [ 0.0002503200000000, -0.0014961100000000, -0.0003130400000000 ] - [ -0.0002470700000000, 0.0049864700000000, -0.0015234300000000 ] - [ -0.0005561900000000, -0.0017071200000000, -0.0006390500000000 ] - [ -0.0012393100000000, 0.0049225600000000, 0.0065292300000000 ] - [ 0.0001963900000000, 0.0005032300000000, -0.0001509500000000 ] - [ 0.0010578400000000, -0.0024731000000000, 0.0006681800000000 ] - [ -0.0005682200000000, 0.0049688600000000, 0.0012735600000000 ] - [ -0.0001024800000000, -0.0011496100000000, -0.0000827100000000 ] - [ -0.0010839200000000, -0.0051022500000000, -0.0029242200000000 ] - [ 0.0005266500000000, -0.0012960400000000, -0.0001527000000000 ] - [ 0.0001255300000000, -0.0018829500000000, -0.0011582800000000 ] - [ 0.0044075000000000, -0.0064740600000000, 0.0001970600000000 ] - [ 0.0134029300000000, 0.0342330700000000, -0.0002501200000000 ] - [ 0.0011645000000000, 0.0088410700000000, 0.0012560600000000 ] - [ -0.0264003000000000, 0.0831681600000000, -0.0268140500000000 ] - [ -0.0017423100000000, -0.0002456600000000, -0.0028550100000000 ] - [ 0.0001941800000000, -0.0018777400000000, 0.0000779200000000 ] - [ -0.0007998600000000, -0.0011178200000000, -0.0012238300000000 ] - [ -0.0082705600000000, -0.0063652000000000, -0.0003930400000000 ] - [ -0.0005908800000000, -0.0019406100000000, 0.0007141000000000 ] - [ -0.0006542700000000, -0.0026290800000000, 0.0004590100000000 ] - [ 0.0000202200000000, -0.0009399500000000, 0.0001169100000000 ] - [ 0.0006558400000000, -0.0023490200000000, 0.0005341400000000 ] - [ 0.0192474400000000, 0.0347008900000000, -0.0012295700000000 ] - [ -0.0008593700000000, -0.0020247100000000, -0.0003741200000000 ] - [ -0.0002348700000000, -0.0010110000000000, 0.0000665900000000 ] - [ -0.0007733800000000, 0.0049967400000000, 0.0060724300000000 ] - [ -0.0006045000000000, -0.0013826500000000, -0.0010561700000000 ] - [ 0.0010210500000000, 0.0004372500000000, -0.0017272300000000 ] - [ -0.0002434000000000, -0.0023198000000000, 0.0019493100000000 ] - [ -0.0009104400000000, -0.0005234300000000, 0.0018924900000000 ] - [ 0.0003768500000000, -0.0032900700000000, -0.0005232700000000 ] - [ -0.0010801300000000, -0.0113799700000000, 0.0053456800000000 ] - [ -0.0008746600000000, -0.0008524000000000, -0.0002165400000000 ] - [ -0.0005405800000000, 0.0035536900000000, 0.0005965700000000 ] - [ 0.0004053800000000, -0.0023019700000000, 0.0012752900000000 ] - [ 0.0000249700000000, -0.0015106000000000, 0.0000981100000000 ] - [ 0.0001937600000000, -0.0001349200000000, 0.0022974800000000 ] - [ -0.0002574700000000, -0.0010321000000000, 0.0004635900000000 ] - [ 0.0002525500000000, -0.0018899900000000, 0.0004428600000000 ] - [ -0.0034452400000000, 0.0094961900000000, -0.0006347700000000 ] - [ -0.0000963500000000, -0.0011003300000000, -0.0008085900000000 ] - [ 0.0001617500000000, 0.0038090700000000, -0.0005837100000000 ] - [ -0.0060969100000000, 0.0483165400000000, 0.0418473600000000 ] - [ -0.0004855800000000, -0.0015134700000000, -0.0002566000000000 ] - [ 0.0001503400000000, 0.0006939100000000, -0.0022621000000000 ] - [ 0.0013013700000000, -0.0005388700000000, 0.0010969900000000 ] - [ -0.0000697100000000, 0.0003688300000000, 0.0013604700000000 ] - [ 0.0000347300000000, 0.0008211900000000, -0.0007089400000000 ] - [ 0.0003412200000000, 0.0010310800000000, -0.0016848100000000 ] - [ 0.0005034300000000, -0.0046054600000000, -0.0000975600000000 ] - [ -0.0005340900000000, -0.0048291200000000, -0.0034342400000000 ] - [ 0.0001531600000000, -0.0010005800000000, -0.0001335800000000 ] - [ -0.0006475800000000, 0.0025080600000000, 0.0016656300000000 ] - [ 0.0015239000000000, -0.0020103500000000, -0.0034588700000000 ] - [ 0.0007661700000000, -0.0053783500000000, 0.0022325200000000 ] - [ 0.0004019800000000, 0.0000459400000000, -0.0008355600000000 ] - [ -0.0005601100000000, -0.0021639500000000, 0.0016825900000000 ] - [ -0.0000733000000000, 0.0022481300000000, -0.0017580700000000 ] - [ 0.0006339900000000, -0.0017137300000000, 0.0001340200000000 ] - [ -0.0004259800000000, -0.0019767600000000, -0.0003847000000000 ] - [ 0.0000714700000000, 0.0001710600000000, 0.0006191600000000 ] - [ -0.0001763200000000, -0.0021771500000000, -0.0000498100000000 ] - [ -0.0030066100000000, -0.0016456200000000, -0.0034433800000000 ] - [ -0.0003461300000000, -0.0019721000000000, -0.0006120900000000 ] - [ -0.0004104600000000, -0.0009638000000000, 0.0004381500000000 ] - [ 0.0001720000000000, -0.0022722500000000, -0.0024215500000000 ] - [ 0.0000281500000000, -0.0012251000000000, 0.0000394300000000 ] - [ 0.0009644500000000, -0.0006384200000000, -0.0001496900000000 ] - [ 0.0004893800000000, -0.0009932900000000, 0.0000648000000000 ] - [ 0.0005197100000000, -0.0017105800000000, 0.0016132700000000 ] - [ 0.0002183500000000, -0.0009961700000000, -0.0001991300000000 ] - [ -0.0015911900000000, 0.0328743100000000, 0.0227065100000000 ] - [ 0.0000701300000000, -0.0007697000000000, -0.0008121700000000 ] - [ -0.0000460600000000, -0.0008902200000000, -0.0000914900000000 ] - [ -0.0001740700000000, -0.0003603700000000, 0.0013127500000000 ] - [ -0.0004183200000000, 0.0023791800000000, -0.0006541000000000 ] - [ -0.0004446700000000, 0.0059534500000000, 0.0031278800000000 ] - [ -0.0206143600000000, 0.1121430800000000, -0.0310946800000000 ] - [ 0.0007812800000000, -0.0017995200000000, -0.0002946200000000 ] - [ -0.0016057300000000, 0.0014946500000000, -0.0003190100000000 ] - [ 0.0002202300000000, 0.0027772900000000, 0.0030028600000000 ] - [ -0.0002864700000000, -0.0022410600000000, 0.0007183300000000 ] - [ -0.0000223200000000, -0.0006152200000000, 0.0007559800000000 ] - [ -0.0000540300000000, -0.0010247500000000, -0.0000830700000000 ] - [ -0.0003974400000000, 0.0014722800000000, 0.0003739900000000 ] - [ 0.0003482700000000, -0.0016870600000000, 0.0018424700000000 ] - [ 0.0022476000000000, 0.0080814500000000, 0.0000783500000000 ] - [ -0.0000249900000000, -0.0018380200000000, 0.0010269100000000 ] - [ -0.0002224000000000, 0.0026814200000000, -0.0006204400000000 ] - [ -0.0004756800000000, -0.0012933200000000, -0.0000337700000000 ] - [ -0.0030668300000000, 0.0076556200000000, 0.0009031300000000 ] - [ 0.0002746400000000, 0.0000536300000000, 0.0005329200000000 ] - [ 0.0004179000000000, -0.0031199800000000, -0.0000293700000000 ] - [ 0.0002801000000000, -0.0003356700000000, 0.0005443300000000 ] - [ -0.0031773800000000, 0.0004762700000000, -0.0038610600000000 ] - [ 0.0001264200000000, -0.0009508400000000, -0.0005685700000000 ] - [ -0.0005751000000000, 0.0026732700000000, -0.0010123400000000 ] - [ -0.0004122600000000, -0.0024781200000000, 0.0012456300000000 ] - [ 0.0005289300000000, -0.0015168900000000, -0.0005311100000000 ] - [ 0.0013398700000000, -0.0006087200000000, -0.0040583700000000 ] - [ 0.0002041500000000, -0.0016646500000000, -0.0002091400000000 ] - [ -0.0004463600000000, -0.0012476200000000, 0.0007273600000000 ] - [ -0.0000061500000000, -0.0015250400000000, 0.0012106500000000 ] - [ 0.0001028700000000, -0.0011226400000000, -0.0004756900000000 ] - [ 0.0002078300000000, -0.0022485400000000, 0.0012089400000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0053178500000000, 0.0101143200000000, -0.0050236100000000 ] - [ 0.0125078300000000, -0.0126681700000000, -0.0138671000000000 ] - [ -0.0009629300000000, -0.0013539700000000, -0.0002977800000000 ] - [ -0.0005055900000000, -0.0019151900000000, -0.0005597000000000 ] - [ -0.0000642200000000, -0.0016942300000000, 0.0002529500000000 ] - [ 0.0002205700000000, -0.0005481600000000, 0.0001353300000000 ] - [ -0.0001379600000000, -0.0005033200000000, 0.0004724500000000 ] - [ 0.0010300600000000, -0.0039441900000000, 0.0003557500000000 ] - [ -0.0002230200000000, -0.0020091200000000, -0.0004948100000000 ] - [ 0.0205101000000000, -0.0080431900000000, 0.0084110800000000 ] - [ -0.0002051500000000, -0.0027902700000000, 0.0000102000000000 ] - [ 0.0007768000000000, 0.0016753200000000, 0.0011424100000000 ] - [ -0.0057129100000000, -0.0038261600000000, -0.0049229600000000 ] - [ -0.0013035000000000, -0.0040013000000000, -0.0003155800000000 ] - [ 0.0000485600000000, -0.0024340900000000, -0.0003832700000000 ] - [ 0.0041112800000000, 0.0087435200000000, -0.0032194100000000 ] - [ 0.0002119300000000, -0.0021315800000000, -0.0003993000000000 ] - [ 0.0004061500000000, -0.0022767800000000, -0.0001211600000000 ] - [ -0.0009796700000000, 0.0018814400000000, -0.0016407800000000 ] - [ 0.0037444500000000, 0.0069762800000000, -0.0030714600000000 ] - [ -0.0165923800000000, -0.0148976900000000, 0.0081824600000000 ] - [ -0.0002586100000000, -0.0030395700000000, -0.0006192000000000 ] - [ -0.0003762000000000, -0.0033528300000000, -0.0000509400000000 ] - [ 0.0000694600000000, -0.0008305200000000, 0.0007435600000000 ] - [ -0.0036317300000000, 0.0075991100000000, -0.0014316500000000 ] - [ 0.0007853400000000, -0.0009496800000000, 0.0003990100000000 ] - [ -0.0012263900000000, 0.0017977600000000, 0.0013589200000000 ] - [ -0.0003000500000000, -0.0024172000000000, 0.0001266700000000 ] - [ 0.0002496100000000, -0.0017232600000000, 0.0000197900000000 ] - [ 0.0000955300000000, -0.0009191900000000, 0.0005465200000000 ] - [ -0.0003335300000000, 0.0007590300000000, -0.0016912600000000 ] - [ 0.0005486900000000, -0.0020182500000000, -0.0004705300000000 ] - [ -0.0091619300000000, 0.3982094800000000, 0.0085490600000000 ] - [ 0.0008640100000000, -0.0015841600000000, 0.0017504500000000 ] - [ 0.0009153200000000, -0.0047477800000000, -0.0004380500000000 ] - [ 0.0015762000000000, -0.0050636100000000, -0.0036313900000000 ] - [ 0.0004405400000000, -0.0042921100000000, 0.0001731000000000 ] - [ -0.0002914200000000, -0.0048551200000000, -0.0007642000000000 ] - [ -0.0012526200000000, 0.0032390500000000, -0.0037836300000000 ] - [ -0.0002718000000000, 0.0039965100000000, 0.0044087700000000 ] - [ -0.0092788200000000, -0.0442033300000000, 0.0272379400000000 ] - [ -0.0001859100000000, -0.0041382900000000, -0.0007941800000000 ] - [ -0.0003850000000000, 0.0033864700000000, -0.0043022700000000 ] - [ 0.0007593700000000, -0.0031946900000000, -0.0015073000000000 ] - [ -0.0000549400000000, -0.0028971900000000, -0.0018361200000000 ] - [ -0.0010232800000000, -0.0039233800000000, -0.0029521900000000 ] - [ 0.0004676100000000, -0.0030977500000000, 0.0069979300000000 ] - [ -0.0308321000000000, 0.0344126700000000, 0.0004568300000000 ] - [ 0.0001949200000000, -0.0041480300000000, -0.0006192600000000 ] - [ 0.0003434400000000, -0.0068148200000000, 0.0028100700000000 ] - [ -0.0002234700000000, 0.0067924600000000, -0.0020141500000000 ] - [ 0.0012201900000000, -0.0031327900000000, -0.0012153300000000 ] - [ 0.0011915700000000, 0.0034131900000000, 0.0028909700000000 ] - [ 0.0007868800000000, 0.0063754900000000, -0.0007828200000000 ] - [ -0.0004746900000000, -0.0041253300000000, -0.0001555300000000 ] - [ 0.0002175200000000, -0.0039244100000000, -0.0018303200000000 ] - [ 0.0001442700000000, -0.0037256300000000, 0.0006240300000000 ] - [ 0.0001685600000000, 0.0023812800000000, 0.0022241800000000 ] - [ -0.0004977400000000, -0.0044917300000000, -0.0002465800000000 ] - [ 0.0004060600000000, 0.0005853600000000, -0.0038871600000000 ] - [ -0.0023743800000000, -0.0159162500000000, -0.0252750300000000 ] - [ -0.0009732800000000, -0.0039962500000000, -0.0017051800000000 ] - [ -0.0004200900000000, -0.0051969500000000, 0.0038398600000000 ] - [ -0.0007818500000000, -0.0039133000000000, 0.0000183200000000 ] - [ 0.0009967600000000, 0.0006092800000000, -0.0036888100000000 ] - [ -0.0003045200000000, 0.0020858100000000, 0.0020424400000000 ] - [ 0.0000704600000000, 0.0017217700000000, 0.0017398200000000 ] - [ -0.0005578200000000, 0.0023097100000000, 0.0018583900000000 ] - [ 0.0000448600000000, 0.0010615700000000, -0.0000110000000000 ] - [ -0.0000131900000000, 0.0005234800000000, 0.0004026000000000 ] - [ 0.0003736700000000, 0.0023480300000000, -0.0000581300000000 ] - [ -0.0006692500000000, -0.0031919800000000, 0.0023907200000000 ] - [ -0.0000862600000000, 0.0011505200000000, -0.0006508400000000 ] - [ 0.0019536000000000, -0.0054728600000000, -0.0066510100000000 ] - [ 0.0001079300000000, -0.0005671300000000, 0.0004230200000000 ] - [ -0.0007515600000000, 0.0025246700000000, -0.0003934000000000 ] - [ -0.0000270000000000, -0.0045567500000000, -0.0000024300000000 ] - [ -0.0001505400000000, 0.0007368400000000, -0.0001975200000000 ] - [ 0.0004597400000000, 0.0042775000000000, 0.0025680000000000 ] - [ -0.0005300300000000, 0.0013012600000000, 0.0021055400000000 ] - [ 0.0000653400000000, 0.0011761800000000, 0.0008945100000000 ] - [ -0.0046936500000000, 0.0063714600000000, 0.0000677000000000 ] - [ -0.0113977100000000, -0.0331986000000000, -0.0002547900000000 ] - [ -0.0001124900000000, -0.0076231300000000, -0.0007731000000000 ] - [ 0.0294707700000000, -0.0877533800000000, 0.0310052200000000 ] - [ 0.0024453800000000, 0.0007801800000000, 0.0027101300000000 ] - [ 0.0004032200000000, 0.0022839200000000, 0.0012085300000000 ] - [ 0.0008005200000000, 0.0011201300000000, 0.0008416000000000 ] - [ 0.0080214300000000, 0.0068140300000000, 0.0000725800000000 ] - [ 0.0004042300000000, 0.0012360700000000, -0.0009799500000000 ] - [ -0.0004778900000000, 0.0013073000000000, 0.0000539200000000 ] - [ 0.0002285100000000, 0.0019765100000000, 0.0004734700000000 ] - [ 0.0004761600000000, 0.0010267400000000, -0.0000212000000000 ] - [ -0.0179792800000000, -0.0358045100000000, 0.0007287700000000 ] - [ -0.0008835000000000, 0.0008643700000000, -0.0001363700000000 ] - [ -0.0004845800000000, 0.0015827400000000, -0.0002098300000000 ] - [ 0.0005254600000000, -0.0060009500000000, -0.0054780400000000 ] - [ 0.0007903600000000, 0.0020882100000000, 0.0028138700000000 ] - [ -0.0012567900000000, 0.0005636100000000, 0.0023055200000000 ] - [ -0.0003111300000000, 0.0034653200000000, -0.0014249100000000 ] - [ 0.0009114700000000, 0.0005234900000000, 0.0000564300000000 ] - [ 0.0005393100000000, 0.0014878300000000, 0.0013878900000000 ] - [ 0.0012680100000000, 0.0121096600000000, -0.0056238800000000 ] - [ -0.0008679700000000, 0.0020135700000000, -0.0002940500000000 ] - [ -0.0005914900000000, -0.0022336600000000, -0.0000873000000000 ] - [ 0.0001920100000000, 0.0018970100000000, 0.0000104900000000 ] - [ 0.0002295400000000, 0.0010984400000000, -0.0003796400000000 ] - [ 0.0004292300000000, -0.0007185100000000, -0.0026793600000000 ] - [ -0.0003660100000000, 0.0018828400000000, -0.0008371800000000 ] - [ -0.0000039200000000, 0.0008544400000000, 0.0001476500000000 ] - [ 0.0041323300000000, -0.0089024000000000, -0.0007154400000000 ] - [ -0.0005462400000000, 0.0016574600000000, -0.0004809100000000 ] - [ -0.0007581700000000, -0.0042142000000000, 0.0018722500000000 ] - [ 0.0068400400000000, -0.0488452000000000, -0.0441551600000000 ] - [ -0.0002337500000000, 0.0009428000000000, 0.0001136400000000 ] - [ -0.0003397600000000, 0.0000070100000000, 0.0020052300000000 ] - [ -0.0013051000000000, 0.0005387800000000, -0.0014833800000000 ] - [ -0.0001068800000000, 0.0003251100000000, 0.0003906800000000 ] - [ 0.0002175700000000, -0.0004128200000000, 0.0004259500000000 ] - [ 0.0002076700000000, 0.0000969200000000, 0.0022273500000000 ] - [ 0.0000488000000000, 0.0034634000000000, 0.0006186900000000 ] - [ -0.0000176000000000, 0.0036704800000000, 0.0039316100000000 ] - [ -0.0003280000000000, 0.0003049800000000, 0.0018799000000000 ] - [ -0.0002695500000000, -0.0043096800000000, -0.0008029800000000 ] - [ -0.0018113200000000, 0.0020655700000000, 0.0037273400000000 ] - [ -0.0005864800000000, 0.0046835900000000, -0.0004663300000000 ] - [ 0.0002207400000000, 0.0008104300000000, 0.0004589600000000 ] - [ -0.0003566100000000, 0.0039646600000000, -0.0008168900000000 ] - [ -0.0005705700000000, -0.0028075400000000, 0.0004721800000000 ] - [ 0.0000852600000000, 0.0011431200000000, -0.0002774000000000 ] - [ 0.0007300200000000, 0.0019173200000000, 0.0006592300000000 ] - [ 0.0002308600000000, -0.0001074600000000, -0.0003481700000000 ] - [ -0.0004209600000000, 0.0025826300000000, 0.0013359800000000 ] - [ 0.0027221800000000, 0.0012291100000000, 0.0031442900000000 ] - [ -0.0002773400000000, 0.0011204600000000, 0.0002386300000000 ] - [ 0.0004096300000000, 0.0009625800000000, 0.0015106600000000 ] - [ 0.0000152800000000, 0.0015645500000000, 0.0021463200000000 ] - [ -0.0003330000000000, 0.0011675300000000, 0.0002352600000000 ] - [ 0.0007782700000000, 0.0017993700000000, -0.0003609800000000 ] - [ 0.0006426000000000, 0.0023159400000000, 0.0004482000000000 ] - [ 0.0003965100000000, 0.0035144400000000, -0.0007496200000000 ] - [ 0.0005010400000000, 0.0015667500000000, 0.0000555700000000 ] - [ 0.0021349900000000, -0.0324687300000000, -0.0209599600000000 ] - [ -0.0000700300000000, 0.0007695200000000, 0.0004238400000000 ] - [ -0.0002075600000000, 0.0013034700000000, -0.0001898700000000 ] - [ -0.0000158600000000, -0.0003399100000000, -0.0015765400000000 ] - [ -0.0007120200000000, -0.0036971500000000, 0.0011619000000000 ] - [ 0.0006998600000000, -0.0049381400000000, -0.0025432700000000 ] - [ 0.0199304000000000, -0.1054462000000000, 0.0288379300000000 ] - [ 0.0009612500000000, 0.0006385500000000, -0.0002159000000000 ] - [ -0.0001330000000000, -0.0026563600000000, -0.0001936900000000 ] - [ -0.0009434500000000, -0.0022315600000000, -0.0031457500000000 ] - [ 0.0000378300000000, 0.0012055500000000, -0.0001286100000000 ] - [ 0.0001993800000000, 0.0013121800000000, 0.0009944000000000 ] - [ -0.0001946500000000, 0.0020601800000000, 0.0006724900000000 ] - [ -0.0001537800000000, -0.0003350100000000, 0.0001520800000000 ] - [ -0.0003459000000000, 0.0016907400000000, 0.0001117100000000 ] - [ -0.0012397000000000, -0.0098036100000000, 0.0008136700000000 ] - [ 0.0002157800000000, 0.0025476200000000, -0.0012927900000000 ] - [ -0.0015240400000000, -0.0015195500000000, 0.0001078400000000 ] - [ -0.0006563700000000, 0.0026163700000000, 0.0005472500000000 ] - [ 0.0036399600000000, -0.0080951400000000, 0.0004527400000000 ] - [ -0.0000198200000000, -0.0004635100000000, -0.0008165100000000 ] - [ 0.0002061000000000, 0.0022707400000000, -0.0003402300000000 ] - [ -0.0009463200000000, 0.0012321700000000, -0.0009280300000000 ] - [ 0.0034411400000000, -0.0014652500000000, 0.0044480700000000 ] - [ 0.0005163600000000, 0.0015078500000000, -0.0007222200000000 ] - [ -0.0000651400000000, -0.0021184700000000, -0.0002906400000000 ] - [ -0.0001851900000000, 0.0020721400000000, 0.0000408000000000 ] - [ 0.0001137300000000, 0.0009604000000000, -0.0007600300000000 ] - [ -0.0020644300000000, 0.0000863500000000, 0.0039155200000000 ] - [ -0.0003937400000000, 0.0023678200000000, -0.0000570300000000 ] - [ 0.0004437800000000, 0.0012502200000000, -0.0011111600000000 ] - [ -0.0001718500000000, 0.0022238500000000, 0.0005474200000000 ] - [ 0.0001496100000000, 0.0015356100000000, 0.0001962500000000 ] - [ 0.0003460800000000, 0.0033906300000000, -0.0006857700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0191488400000000, -0.0031494000000000, 0.0189539500000000 ] - [ -0.0051809700000000, 0.0117052700000000, -0.0107916100000000 ] - [ -0.0006227600000000, 0.0009603900000000, -0.0004331000000000 ] - [ -0.0003377200000000, 0.0001396000000000, -0.0005791200000000 ] - [ 0.0001100800000000, -0.0000632900000000, 0.0003630500000000 ] - [ -0.0001689400000000, 0.0007399500000000, 0.0013947300000000 ] - [ 0.0001302400000000, 0.0008896200000000, 0.0013096200000000 ] - [ 0.0001293200000000, -0.0014006700000000, -0.0006289800000000 ] - [ -0.0003459800000000, 0.0000340000000000, -0.0005813800000000 ] - [ 0.0082156600000000, -0.0052953000000000, 0.0001789200000000 ] - [ -0.0005882500000000, -0.0009673700000000, -0.0003789400000000 ] - [ -0.0000710500000000, -0.0007295600000000, 0.0029550300000000 ] - [ 0.0018610400000000, 0.0040978300000000, -0.0056298000000000 ] - [ -0.0003612800000000, -0.0010157700000000, -0.0011648000000000 ] - [ 0.0000318300000000, 0.0003978300000000, -0.0003518900000000 ] - [ -0.0137860500000000, -0.0036299600000000, 0.0134183600000000 ] - [ 0.0004038500000000, 0.0000788600000000, -0.0004007100000000 ] - [ 0.0007168800000000, -0.0001455200000000, 0.0003971000000000 ] - [ 0.0004153100000000, 0.0011192600000000, 0.0045038400000000 ] - [ -0.0103822500000000, -0.0037745300000000, 0.0107089900000000 ] - [ -0.0070897700000000, -0.0081568200000000, -0.0028574300000000 ] - [ -0.0000739700000000, 0.0004447100000000, -0.0016401200000000 ] - [ -0.0000572100000000, 0.0004461800000000, -0.0007486400000000 ] - [ 0.0002234800000000, -0.0006588800000000, 0.0017806900000000 ] - [ 0.0090002400000000, -0.0035492400000000, 0.0100779700000000 ] - [ 0.0006215500000000, 0.0005876400000000, 0.0003831700000000 ] - [ -0.0007889300000000, -0.0016836900000000, 0.0028413700000000 ] - [ 0.0000264800000000, -0.0003639800000000, -0.0003900800000000 ] - [ 0.0000629500000000, 0.0005510300000000, 0.0003308900000000 ] - [ -0.0005129700000000, -0.0003954200000000, 0.0020736900000000 ] - [ -0.0004450100000000, 0.0007332000000000, 0.0054064000000000 ] - [ 0.0003854300000000, 0.0001761600000000, -0.0003965400000000 ] - [ 0.0026161200000000, -0.0082854400000000, -0.3878570400000000 ] - [ 0.0006226800000000, -0.0025633900000000, 0.0017486700000000 ] - [ 0.0003377700000000, 0.0000583800000000, -0.0010238300000000 ] - [ 0.0004551500000000, 0.0046702800000000, -0.0001074600000000 ] - [ 0.0001800100000000, -0.0010303300000000, -0.0003561600000000 ] - [ 0.0003987800000000, 0.0002734300000000, -0.0009372200000000 ] - [ 0.0000814400000000, 0.0022409800000000, 0.0037493200000000 ] - [ -0.0003529100000000, -0.0039093200000000, 0.0056623900000000 ] - [ -0.0021705900000000, -0.0206182800000000, 0.0112785600000000 ] - [ -0.0001639800000000, -0.0006829300000000, -0.0008015000000000 ] - [ 0.0001297500000000, 0.0014675800000000, 0.0032972000000000 ] - [ 0.0004601900000000, 0.0011734400000000, -0.0000485900000000 ] - [ 0.0002323100000000, 0.0013404400000000, -0.0004727200000000 ] - [ -0.0011274200000000, 0.0027127800000000, -0.0016849800000000 ] - [ -0.0005794900000000, -0.0004027800000000, 0.0020495900000000 ] - [ -0.0005795600000000, 0.0009438800000000, -0.0099813700000000 ] - [ -0.0002982300000000, 0.0001286800000000, 0.0000704300000000 ] - [ 0.0006283300000000, -0.0038022800000000, 0.0000977000000000 ] - [ 0.0003762300000000, -0.0015317300000000, 0.0081636700000000 ] - [ -0.0006890700000000, 0.0090521300000000, 0.0019472400000000 ] - [ -0.0002846700000000, -0.0020602400000000, -0.0032725700000000 ] - [ 0.0006699600000000, 0.0002881700000000, 0.0113757200000000 ] - [ -0.0006427500000000, 0.0015005200000000, -0.0015330800000000 ] - [ -0.0001812900000000, 0.0002416500000000, -0.0011583200000000 ] - [ 0.0005013300000000, -0.0008043600000000, 0.0001540000000000 ] - [ 0.0000922000000000, -0.0019833000000000, 0.0031847900000000 ] - [ -0.0001333000000000, 0.0001592000000000, -0.0014052400000000 ] - [ 0.0017095400000000, 0.0009659200000000, -0.0044646900000000 ] - [ 0.0069255000000000, 0.0506234200000000, 0.0189874900000000 ] - [ -0.0005755700000000, 0.0010901000000000, -0.0002271300000000 ] - [ -0.0009246400000000, -0.0034248500000000, -0.0001363500000000 ] - [ -0.0002363800000000, 0.0005140700000000, 0.0001028900000000 ] - [ 0.0001673100000000, 0.0033717200000000, 0.0011558000000000 ] - [ -0.0002774900000000, -0.0013836400000000, 0.0001428100000000 ] - [ -0.0003248600000000, -0.0013643800000000, 0.0022508600000000 ] - [ -0.0004456700000000, -0.0007018300000000, 0.0007747200000000 ] - [ -0.0001881200000000, -0.0003016800000000, -0.0000288000000000 ] - [ -0.0000368300000000, -0.0001126100000000, 0.0000167500000000 ] - [ 0.0003170500000000, -0.0002208200000000, 0.0000807100000000 ] - [ -0.0004083000000000, 0.0019821000000000, -0.0029297100000000 ] - [ -0.0003293400000000, -0.0002748500000000, -0.0003738100000000 ] - [ 0.0003234000000000, 0.0049111700000000, -0.0043617200000000 ] - [ -0.0000021300000000, -0.0012411300000000, -0.0015454200000000 ] - [ -0.0000519600000000, 0.0006085700000000, 0.0002815900000000 ] - [ -0.0000688800000000, 0.0000702800000000, -0.0058733400000000 ] - [ -0.0003321100000000, -0.0003659300000000, -0.0005321400000000 ] - [ -0.0005013700000000, -0.0040883300000000, 0.0000790600000000 ] - [ 0.0001887200000000, -0.0010391200000000, 0.0016791100000000 ] - [ 0.0001050700000000, -0.0017070800000000, -0.0007929600000000 ] - [ -0.0025728100000000, 0.0048631900000000, 0.0011430600000000 ] - [ 0.0033445500000000, 0.0001430800000000, 0.0169550500000000 ] - [ 0.0024171400000000, 0.0011312000000000, 0.0040934700000000 ] - [ 0.0119816200000000, -0.0326000500000000, 0.0379016200000000 ] - [ -0.0041474700000000, -0.0052991400000000, -0.0032679900000000 ] - [ 0.0002868400000000, -0.0000502700000000, 0.0004208000000000 ] - [ -0.0000157800000000, -0.0008422400000000, -0.0001171900000000 ] - [ 0.0040086200000000, 0.0037942500000000, 0.0022541700000000 ] - [ -0.0000779600000000, 0.0005001900000000, 0.0000405700000000 ] - [ -0.0005479300000000, -0.0008252100000000, 0.0004229800000000 ] - [ 0.0001519000000000, 0.0006197000000000, 0.0002285000000000 ] - [ 0.0005651700000000, -0.0007182200000000, 0.0001248300000000 ] - [ -0.0016842900000000, -0.0002720700000000, 0.0167592000000000 ] - [ -0.0008611800000000, -0.0006226300000000, -0.0001265500000000 ] - [ -0.0004075400000000, 0.0004228700000000, -0.0001601700000000 ] - [ -0.0004684400000000, 0.0060473100000000, -0.0044738100000000 ] - [ 0.0003338000000000, -0.0002041200000000, 0.0030397100000000 ] - [ 0.0032722200000000, -0.0045802100000000, -0.0039947300000000 ] - [ -0.0002737500000000, 0.0012882300000000, 0.0000402300000000 ] - [ 0.0000350100000000, 0.0003266500000000, 0.0003128200000000 ] - [ 0.0004852500000000, -0.0013501400000000, -0.0000114000000000 ] - [ 0.0004285500000000, 0.0027931200000000, -0.0012572500000000 ] - [ -0.0008789900000000, 0.0005113900000000, -0.0001228600000000 ] - [ -0.0001535300000000, 0.0004563200000000, -0.0020750900000000 ] - [ 0.0002943500000000, -0.0001533900000000, 0.0004527600000000 ] - [ -0.0001296500000000, -0.0002937000000000, 0.0003305800000000 ] - [ 0.0002303400000000, 0.0000773800000000, -0.0009641000000000 ] - [ -0.0003081800000000, 0.0006870200000000, -0.0004519500000000 ] - [ 0.0001425000000000, -0.0007611000000000, 0.0003266200000000 ] - [ -0.0018165100000000, -0.0006643900000000, 0.0063073800000000 ] - [ -0.0003136600000000, 0.0001963700000000, -0.0003989600000000 ] - [ -0.0000779500000000, 0.0012348300000000, -0.0032373800000000 ] - [ -0.0114076300000000, 0.0426402600000000, 0.1294554300000000 ] - [ -0.0004119800000000, -0.0005153400000000, -0.0000678100000000 ] - [ 0.0000019600000000, -0.0004639800000000, -0.0004543100000000 ] - [ 0.0000430400000000, 0.0003714900000000, -0.0007313000000000 ] - [ 0.0001098900000000, 0.0003000700000000, -0.0005358300000000 ] - [ 0.0000441800000000, -0.0008782700000000, -0.0023681000000000 ] - [ -0.0000608500000000, -0.0037251500000000, 0.0020600100000000 ] - [ 0.0002536600000000, 0.0000239800000000, 0.0000798000000000 ] - [ -0.0011584600000000, -0.0125175300000000, -0.0093359600000000 ] - [ 0.0007929600000000, -0.0011488200000000, -0.0024601200000000 ] - [ -0.0003762100000000, -0.0010493000000000, -0.0020811200000000 ] - [ 0.0000673300000000, -0.0003310700000000, 0.0039734900000000 ] - [ 0.0001482700000000, 0.0015815500000000, 0.0023539900000000 ] - [ 0.0005234100000000, -0.0011029700000000, -0.0002986300000000 ] - [ -0.0004141900000000, 0.0004569100000000, 0.0009665200000000 ] - [ -0.0002410200000000, 0.0002620900000000, -0.0063659400000000 ] - [ 0.0003054100000000, -0.0001939700000000, -0.0001020000000000 ] - [ 0.0002617400000000, -0.0001721400000000, 0.0005030600000000 ] - [ -0.0000525700000000, 0.0013171300000000, -0.0017613500000000 ] - [ -0.0003040700000000, 0.0002266100000000, 0.0007980500000000 ] - [ -0.0008544400000000, -0.0010548700000000, 0.0041613100000000 ] - [ -0.0002668200000000, -0.0012544800000000, -0.0003541000000000 ] - [ -0.0014789200000000, -0.0012967400000000, 0.0001498800000000 ] - [ -0.0000847200000000, -0.0001156700000000, 0.0007480600000000 ] - [ -0.0001130100000000, 0.0000010500000000, -0.0002009100000000 ] - [ 0.0008705100000000, 0.0004959000000000, -0.0003732300000000 ] - [ 0.0005591300000000, 0.0004231800000000, 0.0000665300000000 ] - [ 0.0004914500000000, 0.0009876600000000, 0.0001058500000000 ] - [ 0.0003149700000000, 0.0000269100000000, -0.0000043100000000 ] - [ -0.0096598500000000, 0.0103507700000000, 0.0993303700000000 ] - [ 0.0012962200000000, -0.0009099900000000, -0.0001931900000000 ] - [ -0.0004058500000000, 0.0000355600000000, -0.0007656000000000 ] - [ -0.0000482100000000, 0.0001163700000000, -0.0006824000000000 ] - [ -0.0002507900000000, 0.0014671600000000, -0.0034532100000000 ] - [ 0.0022800800000000, 0.0045942600000000, 0.0002890600000000 ] - [ 0.0085071100000000, -0.0259927900000000, 0.0312253600000000 ] - [ 0.0008788700000000, -0.0006925700000000, -0.0003849200000000 ] - [ -0.0015556000000000, -0.0004297500000000, -0.0026714900000000 ] - [ -0.0019549000000000, 0.0020393100000000, -0.0007371600000000 ] - [ -0.0001133600000000, -0.0004235200000000, 0.0002752500000000 ] - [ -0.0001893500000000, -0.0003209400000000, -0.0000707800000000 ] - [ -0.0000998800000000, 0.0002692100000000, 0.0003121000000000 ] - [ -0.0003364200000000, 0.0030229600000000, -0.0011404600000000 ] - [ -0.0003076200000000, 0.0009647500000000, 0.0013096900000000 ] - [ 0.0026138500000000, 0.0010121500000000, 0.0062437900000000 ] - [ 0.0000341500000000, 0.0016980100000000, -0.0012072800000000 ] - [ -0.0007490600000000, 0.0010583600000000, -0.0028835700000000 ] - [ -0.0005632400000000, 0.0007141400000000, 0.0004259200000000 ] - [ -0.0018185500000000, -0.0014456300000000, 0.0069738000000000 ] - [ 0.0001019400000000, 0.0011777900000000, -0.0026782300000000 ] - [ 0.0003007900000000, 0.0004192700000000, -0.0001337400000000 ] - [ -0.0006527100000000, 0.0015878200000000, -0.0002334700000000 ] - [ -0.0077365400000000, -0.0069375100000000, -0.0055562400000000 ] - [ 0.0003050000000000, 0.0002091900000000, -0.0008922400000000 ] - [ -0.0008431600000000, 0.0011822300000000, -0.0042013200000000 ] - [ -0.0003149100000000, -0.0004663900000000, 0.0008898500000000 ] - [ 0.0003365300000000, -0.0004202700000000, -0.0008959600000000 ] - [ 0.0037379900000000, -0.0075747500000000, -0.0075484200000000 ] - [ -0.0001007900000000, -0.0017703900000000, 0.0013850300000000 ] - [ 0.0004115300000000, 0.0008070100000000, -0.0002967100000000 ] - [ -0.0002612600000000, 0.0010681700000000, 0.0018193100000000 ] - [ -0.0002179400000000, 0.0001442700000000, 0.0005536000000000 ] - [ 0.0002886500000000, -0.0003153700000000, 0.0006418600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0186163500000000, 0.0030532000000000, -0.0201473400000000 ] - [ 0.0065003800000000, -0.0130264500000000, 0.0108623400000000 ] - [ -0.0006678400000000, 0.0003349500000000, 0.0004598100000000 ] - [ -0.0004002200000000, -0.0000382600000000, -0.0004046700000000 ] - [ -0.0000305800000000, 0.0000377400000000, -0.0003781500000000 ] - [ 0.0001683600000000, -0.0007424800000000, -0.0007820100000000 ] - [ -0.0001307500000000, -0.0008921500000000, -0.0002011400000000 ] - [ -0.0001273500000000, 0.0014097100000000, 0.0017365000000000 ] - [ -0.0003921300000000, -0.0001307800000000, -0.0004023500000000 ] - [ -0.0068992200000000, 0.0066111500000000, -0.0001016800000000 ] - [ -0.0007030600000000, -0.0003239400000000, 0.0004039600000000 ] - [ -0.0000101500000000, 0.0007442200000000, -0.0029679700000000 ] - [ -0.0017823200000000, -0.0040512400000000, 0.0056542200000000 ] - [ 0.0003628600000000, 0.0010220000000000, 0.0017721000000000 ] - [ -0.0001103400000000, -0.0004194100000000, 0.0003377500000000 ] - [ 0.0146473900000000, 0.0037270300000000, -0.0144943900000000 ] - [ 0.0003340800000000, -0.0001749800000000, -0.0005844300000000 ] - [ 0.0005752800000000, -0.0011427500000000, -0.0003724400000000 ] - [ -0.0016976000000000, 0.0001790900000000, -0.0044723900000000 ] - [ 0.0095678500000000, 0.0038732600000000, -0.0116189600000000 ] - [ 0.0071571300000000, 0.0081238800000000, 0.0028917500000000 ] - [ 0.0000749100000000, -0.0004458200000000, 0.0022435300000000 ] - [ 0.0000568000000000, -0.0004476500000000, 0.0018510800000000 ] - [ -0.0002241600000000, 0.0006656200000000, -0.0006706300000000 ] - [ -0.0096599400000000, 0.0034259700000000, -0.0109902600000000 ] - [ 0.0006697800000000, 0.0007058800000000, -0.0003589700000000 ] - [ -0.0005005500000000, 0.0003770200000000, -0.0028137000000000 ] - [ -0.0001050600000000, 0.0003909300000000, 0.0003752000000000 ] - [ 0.0000158500000000, -0.0005202900000000, -0.0003460100000000 ] - [ 0.0005117000000000, 0.0004014200000000, -0.0014587400000000 ] - [ 0.0003539000000000, -0.0007566300000000, -0.0054195900000000 ] - [ 0.0003526200000000, -0.0000745300000000, -0.0005883400000000 ] - [ -0.0040586600000000, 0.0099343900000000, 0.3885864000000000 ] - [ 0.0008709900000000, 0.0006943500000000, -0.0016651200000000 ] - [ 0.0002831500000000, 0.0000746600000000, 0.0001632000000000 ] - [ 0.0010290700000000, -0.0028061800000000, 0.0002057000000000 ] - [ 0.0001739800000000, -0.0001828900000000, -0.0013690800000000 ] - [ 0.0002239200000000, -0.0003941000000000, 0.0000766800000000 ] - [ -0.0010326600000000, -0.0022640000000000, -0.0048435400000000 ] - [ 0.0000125900000000, 0.0051733400000000, -0.0074124300000000 ] - [ 0.0031564200000000, 0.0205677200000000, -0.0124570100000000 ] - [ -0.0007965300000000, 0.0006900100000000, -0.0003150800000000 ] - [ -0.0004982100000000, -0.0027223000000000, -0.0050392200000000 ] - [ 0.0004952600000000, -0.0011669400000000, -0.0010616900000000 ] - [ 0.0001224100000000, -0.0001181200000000, -0.0012506800000000 ] - [ -0.0003594800000000, -0.0045781700000000, 0.0017814200000000 ] - [ -0.0009147900000000, 0.0022577600000000, -0.0019682600000000 ] - [ -0.0000275900000000, -0.0008408400000000, 0.0091034400000000 ] - [ -0.0003241400000000, -0.0002499000000000, -0.0009294800000000 ] - [ 0.0008645200000000, 0.0019351900000000, 0.0000037100000000 ] - [ 0.0002468500000000, 0.0016463800000000, -0.0090131400000000 ] - [ 0.0021668100000000, -0.0071099100000000, -0.0018481500000000 ] - [ 0.0006227500000000, 0.0008466700000000, 0.0014902600000000 ] - [ -0.0000500400000000, -0.0004259500000000, -0.0122255300000000 ] - [ -0.0003152600000000, -0.0014942900000000, 0.0004137700000000 ] - [ -0.0001728100000000, 0.0009794900000000, -0.0005702100000000 ] - [ 0.0004543000000000, 0.0008070300000000, -0.0012651700000000 ] - [ -0.0010519800000000, 0.0020080000000000, -0.0042919900000000 ] - [ -0.0002207100000000, -0.0013708500000000, -0.0003243500000000 ] - [ -0.0007374200000000, -0.0010008100000000, 0.0033313200000000 ] - [ -0.0065364500000000, -0.0490005000000000, -0.0204823000000000 ] - [ -0.0009175100000000, -0.0029429700000000, 0.0003010900000000 ] - [ -0.0005687100000000, 0.0052887800000000, 0.0002418700000000 ] - [ -0.0003847900000000, -0.0003818900000000, -0.0009623800000000 ] - [ 0.0003877300000000, -0.0045291300000000, -0.0006563700000000 ] - [ -0.0002763700000000, 0.0002380600000000, 0.0003778700000000 ] - [ 0.0001457500000000, 0.0006584400000000, -0.0004922100000000 ] - [ -0.0004698200000000, -0.0011054100000000, 0.0000878400000000 ] - [ -0.0001168200000000, 0.0003609300000000, 0.0003033600000000 ] - [ 0.0002136400000000, -0.0005815700000000, 0.0017353900000000 ] - [ 0.0003058300000000, 0.0010682200000000, -0.0004541400000000 ] - [ -0.0005078000000000, -0.0001625400000000, 0.0037836200000000 ] - [ -0.0003134200000000, -0.0002832800000000, -0.0009169400000000 ] - [ 0.0003828200000000, -0.0055011800000000, 0.0042026800000000 ] - [ 0.0003065100000000, 0.0011853300000000, 0.0018175700000000 ] - [ 0.0003606300000000, -0.0005595800000000, -0.0000043600000000 ] - [ -0.0005298100000000, 0.0003365500000000, 0.0071673700000000 ] - [ 0.0000793100000000, -0.0000476100000000, 0.0002508700000000 ] - [ -0.0001395500000000, 0.0032139900000000, -0.0004646800000000 ] - [ -0.0001829500000000, 0.0010399900000000, 0.0002699000000000 ] - [ 0.0000841900000000, 0.0009998500000000, 0.0005248000000000 ] - [ 0.0022901200000000, -0.0049651600000000, -0.0008536800000000 ] - [ -0.0020228800000000, 0.0008407200000000, -0.0174948100000000 ] - [ -0.0013124100000000, 0.0001299500000000, -0.0036100200000000 ] - [ -0.0107730400000000, 0.0333807000000000, -0.0368609300000000 ] - [ 0.0048908700000000, 0.0058972200000000, 0.0031171100000000 ] - [ 0.0003104700000000, 0.0004525000000000, 0.0008638100000000 ] - [ 0.0000021200000000, 0.0008375300000000, -0.0002754200000000 ] - [ -0.0042761000000000, -0.0034011900000000, -0.0025104700000000 ] - [ -0.0001115600000000, -0.0012044100000000, -0.0002996300000000 ] - [ -0.0005842600000000, -0.0005009000000000, 0.0000907800000000 ] - [ 0.0000959500000000, 0.0004145000000000, 0.0003597900000000 ] - [ 0.0005670800000000, -0.0006064100000000, 0.0003885100000000 ] - [ 0.0038792000000000, -0.0007102700000000, -0.0172982800000000 ] - [ -0.0008814400000000, -0.0005392600000000, -0.0003840800000000 ] - [ -0.0003109400000000, 0.0001471400000000, 0.0000151900000000 ] - [ 0.0002302100000000, -0.0071227300000000, 0.0050680500000000 ] - [ -0.0001579100000000, 0.0009001800000000, -0.0012936600000000 ] - [ -0.0035181700000000, 0.0056217600000000, 0.0045642300000000 ] - [ -0.0002812800000000, -0.0001481200000000, 0.0004827900000000 ] - [ -0.0000350200000000, -0.0003251000000000, 0.0016397100000000 ] - [ 0.0004301900000000, -0.0004549600000000, 0.0008747300000000 ] - [ -0.0002383200000000, -0.0020965900000000, 0.0010048700000000 ] - [ -0.0008637100000000, 0.0006473300000000, -0.0003876900000000 ] - [ -0.0009774100000000, 0.0008739000000000, 0.0025874200000000 ] - [ 0.0003032400000000, -0.0002541300000000, 0.0008332300000000 ] - [ 0.0003824000000000, -0.0001191700000000, -0.0006089900000000 ] - [ 0.0003920800000000, -0.0009211900000000, 0.0005967900000000 ] - [ -0.0003150300000000, 0.0001642000000000, 0.0000804700000000 ] - [ 0.0001057300000000, -0.0002766400000000, 0.0002626200000000 ] - [ 0.0024754400000000, 0.0012481000000000, -0.0077103000000000 ] - [ -0.0003285700000000, 0.0003583400000000, -0.0008915700000000 ] - [ -0.0005159100000000, -0.0016154900000000, 0.0045280200000000 ] - [ 0.0133042400000000, -0.0472337600000000, -0.1396673300000000 ] - [ -0.0003070700000000, -0.0000576200000000, -0.0000770700000000 ] - [ -0.0001891200000000, 0.0011760700000000, 0.0001730800000000 ] - [ -0.0000420000000000, -0.0003706000000000, 0.0003502900000000 ] - [ -0.0002876500000000, 0.0003991000000000, 0.0022892100000000 ] - [ 0.0002119800000000, 0.0012964500000000, 0.0020828300000000 ] - [ 0.0006149400000000, 0.0048793400000000, -0.0015448200000000 ] - [ 0.0003006200000000, -0.0011676700000000, 0.0004446300000000 ] - [ 0.0005997900000000, 0.0112756800000000, 0.0097672600000000 ] - [ -0.0009663200000000, 0.0004426800000000, 0.0042065000000000 ] - [ -0.0005421200000000, -0.0007556200000000, 0.0029436800000000 ] - [ -0.0003539600000000, 0.0004052800000000, -0.0036805300000000 ] - [ 0.0000275900000000, -0.0022626400000000, -0.0006058300000000 ] - [ 0.0000966400000000, 0.0019500500000000, -0.0000683000000000 ] - [ -0.0005017300000000, 0.0013414000000000, -0.0000994800000000 ] - [ -0.0004017900000000, -0.0008164300000000, 0.0050543300000000 ] - [ 0.0004138800000000, -0.0003786200000000, -0.0000400000000000 ] - [ 0.0000443900000000, 0.0001132500000000, -0.0002265900000000 ] - [ 0.0003567500000000, -0.0012637500000000, 0.0020367900000000 ] - [ -0.0002932100000000, 0.0001766300000000, 0.0004881700000000 ] - [ 0.0005866900000000, 0.0006539000000000, -0.0044135900000000 ] - [ -0.0003566400000000, 0.0003980500000000, -0.0000176800000000 ] - [ 0.0014719900000000, 0.0012876500000000, 0.0018011300000000 ] - [ 0.0002728400000000, -0.0005765800000000, -0.0010016900000000 ] - [ -0.0001909100000000, -0.0000639900000000, 0.0004745700000000 ] - [ 0.0008722600000000, 0.0006628800000000, -0.0001374100000000 ] - [ 0.0005728500000000, 0.0008969300000000, 0.0004462200000000 ] - [ 0.0004242200000000, 0.0008107800000000, 0.0007601800000000 ] - [ 0.0004041600000000, 0.0005424100000000, -0.0001381900000000 ] - [ 0.0095636000000000, -0.0073510500000000, -0.0909574500000000 ] - [ -0.0012891900000000, 0.0009057800000000, -0.0001898100000000 ] - [ 0.0001529000000000, 0.0003745600000000, 0.0004835800000000 ] - [ -0.0001424400000000, -0.0008293400000000, 0.0004082100000000 ] - [ -0.0008772200000000, -0.0027897100000000, 0.0039643500000000 ] - [ -0.0020029700000000, -0.0035313000000000, 0.0003160900000000 ] - [ -0.0074603800000000, 0.0251326200000000, -0.0306799700000000 ] - [ 0.0008637400000000, -0.0004700500000000, -0.0001257700000000 ] - [ -0.0001896200000000, -0.0007263400000000, 0.0021580200000000 ] - [ 0.0012234800000000, -0.0014634200000000, 0.0006117000000000 ] - [ -0.0001346400000000, -0.0006147300000000, 0.0003154900000000 ] - [ 0.0003662800000000, 0.0010134500000000, 0.0018238500000000 ] - [ -0.0001480400000000, 0.0007651100000000, 0.0002774300000000 ] - [ -0.0002169400000000, -0.0018705300000000, 0.0016675800000000 ] - [ 0.0003072200000000, -0.0009627400000000, 0.0006377300000000 ] - [ -0.0016579800000000, -0.0027307000000000, -0.0053056200000000 ] - [ 0.0001556300000000, -0.0009953800000000, 0.0009393200000000 ] - [ -0.0009925300000000, 0.0001044600000000, 0.0023714400000000 ] - [ -0.0005688900000000, 0.0006072200000000, 0.0000874000000000 ] - [ 0.0024031400000000, 0.0010049100000000, -0.0055800100000000 ] - [ 0.0001545800000000, -0.0015956800000000, 0.0024003600000000 ] - [ 0.0003227500000000, -0.0012674800000000, -0.0002400300000000 ] - [ 0.0000137000000000, -0.0007314000000000, -0.0001488700000000 ] - [ 0.0080011900000000, 0.0058765600000000, 0.0061401700000000 ] - [ 0.0003376500000000, 0.0003459600000000, -0.0003979600000000 ] - [ 0.0001984700000000, -0.0006314100000000, 0.0028956500000000 ] - [ -0.0002828100000000, 0.0000568400000000, 0.0003980800000000 ] - [ 0.0003066500000000, -0.0001380000000000, -0.0003942700000000 ] - [ -0.0044966200000000, 0.0070098600000000, 0.0074417300000000 ] - [ -0.0000892000000000, 0.0024643500000000, -0.0016430500000000 ] - [ -0.0004122800000000, -0.0008065700000000, -0.0000932900000000 ] - [ 0.0000842800000000, -0.0003708400000000, -0.0000671600000000 ] - [ 0.0004695000000000, 0.0002673000000000, -0.0008313800000000 ] - [ 0.0002661600000000, 0.0014542400000000, -0.0001132700000000 ]- atom: 34 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003761000000000, -0.0001299000000000, -0.0005858300000000 ] - [ 0.0004536000000000, -0.0010177100000000, 0.0001880000000000 ] - [ -0.0006969300000000, 0.0009433300000000, -0.0002514400000000 ] - [ -0.0002939100000000, 0.0000802800000000, -0.0007124700000000 ] - [ 0.0015716800000000, 0.0056613200000000, -0.0017577000000000 ] - [ 0.0039173000000000, 0.0011461700000000, -0.0074825300000000 ] - [ -0.0015429300000000, 0.0003814600000000, 0.0115002200000000 ] - [ -0.0011966800000000, 0.0006369400000000, 0.0112140100000000 ] - [ -0.0003951600000000, -0.0000045700000000, -0.0006887500000000 ] - [ 0.0006697300000000, 0.0006982400000000, -0.0000826100000000 ] - [ -0.0006501500000000, -0.0006765600000000, -0.0000404400000000 ] - [ 0.0030712300000000, -0.0113135300000000, -0.0011716000000000 ] - [ 0.0002510300000000, -0.0000097700000000, -0.0003956600000000 ] - [ 0.0026618600000000, 0.0010623100000000, -0.0046130100000000 ] - [ 0.0000683900000000, 0.0000175200000000, -0.0005213000000000 ] - [ 0.0003423700000000, -0.0000454000000000, -0.0006053000000000 ] - [ 0.0002795200000000, 0.0001503700000000, -0.0003156200000000 ] - [ 0.0006908900000000, -0.0005427100000000, 0.0000673200000000 ] - [ -0.0006458300000000, 0.0006608500000000, 0.0000867300000000 ] - [ -0.0002110200000000, 0.0002137400000000, -0.0003196200000000 ] - [ 0.0000346100000000, 0.0000366600000000, -0.0000727600000000 ] - [ -0.0000052600000000, 0.0000367400000000, 0.0002965000000000 ] - [ 0.0000063000000000, 0.0000448400000000, 0.0005437400000000 ] - [ -0.0000049500000000, 0.0000364400000000, 0.0005569300000000 ] - [ -0.0004843500000000, 0.0003264200000000, -0.0000874600000000 ] - [ -0.0027097200000000, -0.0055533100000000, 0.0010730700000000 ] - [ 0.0019703600000000, 0.0050980900000000, 0.0018527500000000 ] - [ -0.0000434300000000, -0.0000334100000000, -0.0000637700000000 ] - [ -0.0000034400000000, 0.0001365700000000, 0.0000312900000000 ] - [ 0.0000009700000000, 0.0000364100000000, 0.0003082700000000 ] - [ -0.0000289500000000, -0.0000076200000000, 0.0000614800000000 ] - [ 0.0004306000000000, 0.0000019800000000, -0.0000850500000000 ] - [ -0.0003127000000000, -0.0001762000000000, -0.0005546400000000 ] - [ -0.3126533400000000, -0.0013612900000000, 0.0118965600000000 ] - [ 0.0008159200000000, -0.0011429200000000, -0.0005981100000000 ] - [ 0.0013261800000000, 0.0012395300000000, -0.0003179400000000 ] - [ 0.0001392300000000, -0.0004106300000000, -0.0010469700000000 ] - [ 0.0001832300000000, -0.0002932000000000, -0.0006065300000000 ] - [ 0.0016489200000000, -0.0002184100000000, -0.0007592100000000 ] - [ -0.0001735500000000, 0.0005432500000000, -0.0009116800000000 ] - [ 0.0044398900000000, -0.0003652600000000, -0.0008994000000000 ] - [ -0.0062979400000000, -0.0107244000000000, -0.0045037300000000 ] - [ -0.0007141800000000, -0.0012325500000000, -0.0016611600000000 ] - [ -0.0006185300000000, 0.0000870600000000, -0.0011777800000000 ] - [ 0.0004847300000000, 0.0008286600000000, -0.0013485200000000 ] - [ -0.0015264600000000, -0.0013935200000000, -0.0009876000000000 ] - [ 0.1380897900000000, -0.0027974400000000, -0.0288234600000000 ] - [ -0.0001246900000000, 0.0005374300000000, -0.0018509300000000 ] - [ -0.0003809900000000, 0.0003380100000000, -0.0005462000000000 ] - [ 0.0007637100000000, -0.0008465700000000, -0.0000205100000000 ] - [ 0.0003989500000000, -0.0002699300000000, -0.0002536800000000 ] - [ 0.0007316300000000, 0.0010494100000000, 0.0001263400000000 ] - [ -0.0006046500000000, 0.0061758900000000, -0.0041045700000000 ] - [ 0.0004122700000000, -0.0003352700000000, -0.0000446900000000 ] - [ -0.0004549800000000, -0.0000386800000000, -0.0004451500000000 ] - [ 0.0002991600000000, 0.0001185500000000, 0.0000029100000000 ] - [ 0.0005018800000000, 0.0001334300000000, -0.0006653900000000 ] - [ -0.0004839200000000, -0.0000140900000000, -0.0005924000000000 ] - [ -0.0001848700000000, -0.0006773500000000, -0.0007094400000000 ] - [ 0.0004391300000000, 0.0002847000000000, -0.0004385600000000 ] - [ 0.0001422600000000, 0.0007228200000000, -0.0008505400000000 ] - [ -0.0007386300000000, -0.0008224700000000, 0.0001292400000000 ] - [ -0.0007619500000000, 0.0009589700000000, -0.0000380900000000 ] - [ -0.0002123800000000, 0.0008895400000000, -0.0007147200000000 ] - [ 0.0002763900000000, -0.0005677900000000, 0.0002978900000000 ] - [ -0.0003617800000000, -0.0006453700000000, 0.0004273400000000 ] - [ -0.0004859600000000, -0.0005984200000000, 0.0010420500000000 ] - [ -0.0000269700000000, 0.0009664600000000, 0.0025178100000000 ] - [ 0.0011645200000000, 0.0017877100000000, 0.0003111500000000 ] - [ -0.0173101800000000, -0.0010500900000000, 0.0051501300000000 ] - [ 0.0005169000000000, 0.0002499000000000, 0.0001568600000000 ] - [ -0.0005591000000000, 0.0014446000000000, 0.0004154100000000 ] - [ -0.0003117700000000, -0.0002310600000000, -0.0005035200000000 ] - [ 0.0003779500000000, -0.0002793100000000, -0.0000229600000000 ] - [ -0.0004753300000000, -0.0016938600000000, -0.0008199800000000 ] - [ 0.0048305500000000, -0.0009306100000000, 0.0014260300000000 ] - [ -0.0003106400000000, 0.0003156300000000, 0.0006713800000000 ] - [ -0.0005171200000000, -0.0011245600000000, -0.0006003200000000 ] - [ -0.0005508600000000, -0.0004804100000000, -0.0001014100000000 ] - [ 0.0000814100000000, -0.0000167500000000, 0.0008059400000000 ] - [ 0.0005725800000000, -0.0005104000000000, 0.0007001600000000 ] - [ -0.0023002000000000, 0.0024684600000000, -0.0002329300000000 ] - [ 0.0011271400000000, 0.0005197500000000, -0.0001141300000000 ] - [ 0.0007824800000000, 0.0007384000000000, 0.0008390900000000 ] - [ 0.0002907000000000, 0.0012140800000000, 0.0005171500000000 ] - [ 0.0004504500000000, 0.0004158100000000, 0.0001398100000000 ] - [ 0.0003238000000000, 0.0001369900000000, 0.0007133800000000 ] - [ -0.0000698900000000, 0.0000160500000000, -0.0003293500000000 ] - [ -0.0011472600000000, 0.0004942100000000, -0.0004424100000000 ] - [ 0.0232719300000000, 0.0008665900000000, -0.0146313800000000 ] - [ -0.0005816700000000, -0.0005665100000000, 0.0004011500000000 ] - [ 0.0001485100000000, 0.0005490300000000, 0.0003734200000000 ] - [ -0.0004563800000000, -0.0004315100000000, 0.0000128800000000 ] - [ 0.0006001300000000, -0.0005817300000000, -0.0001180900000000 ] - [ -0.0006872900000000, -0.0003334500000000, -0.0002047600000000 ] - [ -0.0003919600000000, 0.0002851100000000, 0.0000250200000000 ] - [ -0.0001383500000000, -0.0005101100000000, 0.0003305800000000 ] - [ 0.0006125600000000, 0.0003158000000000, 0.0015850000000000 ] - [ -0.0002617500000000, 0.0006826900000000, 0.0005406200000000 ] - [ -0.0002744800000000, 0.0004913800000000, 0.0003411600000000 ] - [ 0.0717592600000000, -0.0009275800000000, 0.0245710500000000 ] - [ 0.0002983000000000, -0.0016307300000000, 0.0012022600000000 ] - [ -0.0148934500000000, -0.0004651900000000, 0.0024497000000000 ] - [ -0.0010021100000000, 0.0007105800000000, -0.0002370400000000 ] - [ 0.0004989400000000, 0.0008810400000000, -0.0000585300000000 ] - [ 0.0002994000000000, -0.0004813600000000, 0.0008314200000000 ] - [ -0.0007948000000000, 0.0000808500000000, 0.0002286400000000 ] - [ -0.0180565500000000, 0.0011015300000000, 0.0028120500000000 ] - [ 0.0296530400000000, 0.0070236100000000, -0.0035430000000000 ] - [ 0.0002301500000000, -0.0006297400000000, 0.0005032500000000 ] - [ 0.0003118600000000, 0.0002524700000000, -0.0005000100000000 ] - [ -0.0004133200000000, 0.0003907600000000, -0.0001128200000000 ] - [ -0.0003105000000000, -0.0000156200000000, 0.0005748900000000 ] - [ 0.0003026500000000, -0.0002113100000000, -0.0005241600000000 ] - [ -0.0004759300000000, -0.0003979400000000, 0.0001053600000000 ] - [ -0.0004271700000000, 0.0003082300000000, 0.0000146400000000 ] - [ 0.0574472400000000, -0.0001935100000000, 0.0231243500000000 ] - [ 0.0269677000000000, -0.0090270500000000, -0.0238287600000000 ] - [ -0.0008338900000000, 0.0011217600000000, 0.0007789900000000 ] - [ 0.0004159700000000, 0.0005552900000000, 0.0006015900000000 ] - [ -0.0137414600000000, 0.0022666800000000, 0.0045357500000000 ] - [ -0.0002770000000000, -0.0006627200000000, 0.0001990000000000 ] - [ -0.0000862400000000, -0.0003723600000000, 0.0008459300000000 ] - [ -0.0004458100000000, -0.0008453000000000, 0.0004003000000000 ] - [ -0.0001827500000000, -0.0000536100000000, 0.0001494500000000 ] - [ 0.0000975600000000, -0.0003712200000000, 0.0009089800000000 ] - [ 0.0003095300000000, 0.0003908800000000, -0.0002082800000000 ] - [ -0.0004203200000000, 0.0010198900000000, 0.0004094500000000 ] - [ -0.0001469300000000, -0.0001623500000000, -0.0009851300000000 ] - [ 0.0000479300000000, 0.0002550200000000, 0.0005048700000000 ] - [ 0.0001533700000000, -0.0000373100000000, 0.0001157300000000 ] - [ 0.0001570600000000, 0.0000250000000000, 0.0001403300000000 ] - [ -0.0001532800000000, 0.0008209800000000, 0.0005192600000000 ] - [ -0.0001001200000000, -0.0002639900000000, -0.0001299300000000 ] - [ -0.0003161000000000, -0.0004838500000000, -0.0002183800000000 ] - [ -0.0000000100000000, -0.0000286200000000, 0.0009520400000000 ] - [ 0.0001024100000000, -0.0004384600000000, -0.0001816600000000 ] - [ -0.0001482300000000, -0.0000750400000000, 0.0001540400000000 ] - [ 0.0006446300000000, 0.0004315100000000, -0.0002181400000000 ] - [ 0.0005390500000000, 0.0003787900000000, 0.0003081100000000 ] - [ 0.0004574100000000, 0.0007520500000000, 0.0005258300000000 ] - [ 0.0003374800000000, 0.0002323500000000, -0.0001608700000000 ] - [ 0.0003568500000000, 0.0002256300000000, 0.0007383500000000 ] - [ 0.0000040300000000, -0.0000267900000000, -0.0002188300000000 ] - [ -0.0001216100000000, 0.0001632600000000, -0.0001130700000000 ] - [ -0.0001016000000000, -0.0003660100000000, -0.0001085700000000 ] - [ -0.0005601600000000, -0.0006030300000000, 0.0002153700000000 ] - [ -0.0009252500000000, 0.0014693100000000, -0.0004322000000000 ] - [ 0.0005653400000000, -0.0006948900000000, 0.0003047600000000 ] - [ 0.0009661500000000, -0.0007259600000000, -0.0002372400000000 ] - [ -0.0007880100000000, -0.0003391600000000, -0.0002882200000000 ] - [ 0.0023051400000000, -0.0019318900000000, -0.0001934800000000 ] - [ 0.0005138700000000, -0.0014421100000000, -0.0015854600000000 ] - [ 0.0000786900000000, 0.0002973000000000, 0.0008474900000000 ] - [ -0.0000970500000000, 0.0004273000000000, 0.0001827600000000 ] - [ 0.0202141000000000, 0.0131080100000000, -0.0041492800000000 ] - [ 0.0000000300000000, -0.0000147900000000, 0.0010013700000000 ] - [ 0.0003746500000000, -0.0012647100000000, 0.0005407500000000 ] - [ 0.0000930600000000, 0.0002956000000000, -0.0000878400000000 ] - [ -0.0007615300000000, 0.0007297500000000, -0.0003211700000000 ] - [ -0.0005753800000000, 0.0007438900000000, 0.0002595700000000 ] - [ 0.0003669600000000, -0.0030587400000000, 0.0012986000000000 ] - [ 0.0001261500000000, -0.0002012500000000, -0.0001361900000000 ] - [ 0.0003100200000000, -0.0004310900000000, -0.0001633700000000 ] - [ -0.0003036500000000, 0.0003800100000000, -0.0001556300000000 ] - [ 0.0001572400000000, -0.0005662200000000, 0.0002499400000000 ] - [ -0.0000922700000000, -0.0006722200000000, -0.0005684200000000 ] - [ -0.0003804400000000, 0.0003363000000000, -0.0009056400000000 ] - [ -0.0003628400000000, -0.0000197900000000, 0.0003993200000000 ] - [ 0.0003386200000000, -0.0003628300000000, -0.0007005100000000 ] - [ -0.0003894100000000, -0.0003401700000000, -0.0000999000000000 ] - [ -0.0000915200000000, 0.0003381100000000, -0.0001606800000000 ] - [ 0.0000065100000000, -0.0000129000000000, -0.0001696000000000 ] - [ -0.0000943200000000, 0.0003334200000000, 0.0009090700000000 ] - [ 0.0001190700000000, 0.0002138200000000, -0.0001765200000000 ] - [ 0.0002775800000000, 0.0005225200000000, 0.0002329300000000 ]- atom: 34 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003619600000000, 0.0000293500000000, -0.0004001800000000 ] - [ 0.0008413700000000, -0.0002704300000000, -0.0001653800000000 ] - [ -0.0005920100000000, 0.0003469900000000, 0.0002790500000000 ] - [ -0.0004466000000000, 0.0000199400000000, -0.0002718300000000 ] - [ -0.0014567500000000, -0.0057387600000000, 0.0017645900000000 ] - [ -0.0038684000000000, -0.0011310600000000, 0.0081351300000000 ] - [ 0.0015153900000000, -0.0003761000000000, -0.0103439800000000 ] - [ 0.0012167600000000, -0.0006422200000000, -0.0101569900000000 ] - [ -0.0003427500000000, -0.0000968700000000, -0.0002957900000000 ] - [ 0.0006214800000000, 0.0005950000000000, 0.0001108500000000 ] - [ -0.0006415200000000, -0.0006178100000000, 0.0000678500000000 ] - [ -0.0030753800000000, 0.0113494300000000, 0.0011596700000000 ] - [ -0.0001776000000000, 0.0000383600000000, 0.0003811400000000 ] - [ -0.0027026400000000, -0.0010804800000000, 0.0052077100000000 ] - [ -0.0001488900000000, -0.0000450300000000, 0.0005102400000000 ] - [ 0.0003972600000000, 0.0001461300000000, -0.0003805300000000 ] - [ 0.0004568500000000, -0.0002538700000000, -0.0006700600000000 ] - [ 0.0006005500000000, -0.0007530100000000, -0.0000393100000000 ] - [ -0.0006451100000000, 0.0006318400000000, -0.0000595600000000 ] - [ -0.0005298500000000, -0.0001162300000000, -0.0006690800000000 ] - [ 0.0000420400000000, -0.0000621700000000, 0.0000578100000000 ] - [ 0.0000055300000000, -0.0000378300000000, 0.0003132900000000 ] - [ -0.0000067300000000, -0.0000461800000000, 0.0005619900000000 ] - [ 0.0000049600000000, -0.0000373800000000, 0.0005490700000000 ] - [ -0.0002508900000000, -0.0004295100000000, -0.0009022600000000 ] - [ 0.0039521100000000, 0.0068222300000000, -0.0010323700000000 ] - [ -0.0032963800000000, -0.0063537100000000, -0.0018128400000000 ] - [ -0.0000330600000000, 0.0000580000000000, 0.0000485500000000 ] - [ 0.0000800900000000, -0.0001133300000000, -0.0000463500000000 ] - [ -0.0000008900000000, -0.0000373800000000, 0.0003017200000000 ] - [ -0.0000481100000000, -0.0000184600000000, -0.0000769900000000 ] - [ 0.0003134400000000, 0.0000936000000000, -0.0008993300000000 ] - [ -0.0003129400000000, 0.0000597700000000, -0.0003036200000000 ] - [ 0.3138636600000000, -0.0008348900000000, -0.0118956600000000 ] - [ -0.0001986900000000, 0.0012776300000000, -0.0002602000000000 ] - [ 0.0001703800000000, 0.0006216400000000, 0.0004025400000000 ] - [ 0.0002129900000000, -0.0008077400000000, -0.0006819600000000 ] - [ 0.0004387800000000, 0.0001624700000000, -0.0002620700000000 ] - [ -0.0025958500000000, 0.0002297500000000, -0.0003433400000000 ] - [ -0.0001786500000000, 0.0006727600000000, -0.0008184600000000 ] - [ -0.0035003000000000, 0.0004427200000000, -0.0002446900000000 ] - [ 0.0053768500000000, 0.0107968500000000, 0.0034707700000000 ] - [ 0.0003603400000000, 0.0000170100000000, -0.0000758500000000 ] - [ 0.0015706800000000, -0.0000857100000000, 0.0000658400000000 ] - [ -0.0001316800000000, 0.0003854000000000, -0.0003789000000000 ] - [ 0.0000302000000000, -0.0004648100000000, 0.0010714700000000 ] - [ -0.1395558900000000, 0.0046900300000000, 0.0289160700000000 ] - [ -0.0004984900000000, -0.0004150900000000, 0.0010076500000000 ] - [ -0.0002383700000000, -0.0004680600000000, -0.0003071700000000 ] - [ 0.0007325700000000, -0.0010150800000000, 0.0001075700000000 ] - [ 0.0002279500000000, 0.0003891000000000, -0.0006067600000000 ] - [ 0.0007645200000000, 0.0008074800000000, -0.0000391900000000 ] - [ 0.0009838400000000, -0.0074687500000000, 0.0023949800000000 ] - [ 0.0002094100000000, 0.0002153400000000, -0.0008098300000000 ] - [ -0.0005022100000000, 0.0000342800000000, -0.0006655600000000 ] - [ -0.0006605500000000, 0.0010162300000000, -0.0017919000000000 ] - [ 0.0004551800000000, -0.0001369500000000, -0.0004442900000000 ] - [ -0.0004737800000000, 0.0000136300000000, -0.0005189700000000 ] - [ -0.0001668200000000, -0.0005409700000000, -0.0010215500000000 ] - [ 0.0005189800000000, -0.0002872900000000, -0.0006732100000000 ] - [ 0.0002101100000000, 0.0004930500000000, -0.0008789000000000 ] - [ -0.0007575400000000, -0.0010402100000000, -0.0000425100000000 ] - [ -0.0007343300000000, 0.0008988200000000, 0.0001256800000000 ] - [ -0.0004105500000000, -0.0007645200000000, -0.0001379800000000 ] - [ 0.0002771800000000, -0.0005675100000000, 0.0002286400000000 ] - [ -0.0001924600000000, -0.0004891700000000, 0.0001004600000000 ] - [ 0.0003132000000000, -0.0000951000000000, 0.0007192900000000 ] - [ -0.0008947100000000, -0.0027959500000000, -0.0016767700000000 ] - [ -0.0014506600000000, -0.0017420300000000, -0.0000295700000000 ] - [ 0.0176076400000000, 0.0003276100000000, -0.0034007000000000 ] - [ 0.0001056600000000, 0.0006020900000000, -0.0005317200000000 ] - [ -0.0003596400000000, 0.0003606100000000, 0.0004434900000000 ] - [ -0.0003316500000000, -0.0003287500000000, -0.0007903500000000 ] - [ 0.0003474500000000, -0.0002894500000000, -0.0001200400000000 ] - [ 0.0007771000000000, 0.0016490800000000, 0.0010912600000000 ] - [ -0.0045656100000000, 0.0009799300000000, -0.0011636900000000 ] - [ -0.0002861100000000, 0.0000871600000000, 0.0006117400000000 ] - [ 0.0002510600000000, 0.0007040200000000, 0.0003291200000000 ] - [ -0.0000715600000000, -0.0003727800000000, -0.0002727900000000 ] - [ -0.0000845100000000, 0.0000165800000000, 0.0011437000000000 ] - [ -0.0003770700000000, -0.0001927600000000, -0.0009473500000000 ] - [ 0.0019980900000000, -0.0025290100000000, 0.0005119100000000 ] - [ 0.0006118600000000, 0.0006296000000000, -0.0003962800000000 ] - [ 0.0003472300000000, 0.0005828200000000, -0.0003290500000000 ] - [ 0.0006261600000000, 0.0005773600000000, 0.0003582700000000 ] - [ 0.0002764100000000, 0.0001523700000000, -0.0002813700000000 ] - [ 0.0002727100000000, 0.0002662700000000, 0.0005672300000000 ] - [ 0.0000736400000000, -0.0000163100000000, -0.0000563200000000 ] - [ 0.0008994900000000, -0.0000777700000000, 0.0001589500000000 ] - [ -0.0236271100000000, -0.0015422000000000, 0.0144740000000000 ] - [ -0.0005508300000000, -0.0007561800000000, 0.0001180300000000 ] - [ 0.0001037100000000, 0.0004863500000000, 0.0002163300000000 ] - [ 0.0016029600000000, -0.0008890000000000, 0.0005028500000000 ] - [ 0.0011463000000000, -0.0005688200000000, -0.0003923300000000 ] - [ -0.0010611000000000, -0.0008184100000000, -0.0003039400000000 ] - [ -0.0003335300000000, 0.0002841700000000, -0.0001685700000000 ] - [ -0.0001137200000000, -0.0005249300000000, 0.0002592600000000 ] - [ -0.0004433900000000, 0.0003821500000000, 0.0001641200000000 ] - [ 0.0000080300000000, 0.0003521600000000, 0.0000498400000000 ] - [ -0.0002796000000000, 0.0006458400000000, 0.0001847600000000 ] - [ -0.0648131000000000, 0.0010310600000000, -0.0203157700000000 ] - [ 0.0006195800000000, -0.0001820600000000, -0.0003374300000000 ] - [ 0.0149472500000000, 0.0011573800000000, -0.0027136200000000 ] - [ -0.0007359200000000, 0.0004384900000000, -0.0002712600000000 ] - [ -0.0016367000000000, 0.0004647700000000, 0.0005840600000000 ] - [ 0.0002973000000000, 0.0000788200000000, 0.0004502100000000 ] - [ 0.0010877600000000, -0.0005134500000000, -0.0005375900000000 ] - [ 0.0187282400000000, -0.0019663800000000, -0.0032048200000000 ] - [ -0.0301868300000000, -0.0055587500000000, 0.0029483800000000 ] - [ 0.0000212100000000, -0.0004050800000000, 0.0000870600000000 ] - [ 0.0003318900000000, 0.0003080000000000, -0.0007937100000000 ] - [ -0.0002291400000000, 0.0001686400000000, -0.0011862800000000 ] - [ -0.0002867800000000, -0.0003866300000000, 0.0007129200000000 ] - [ 0.0003417700000000, -0.0003505800000000, -0.0007673900000000 ] - [ -0.0002484400000000, -0.0001698000000000, -0.0002483600000000 ] - [ 0.0002365000000000, 0.0003868100000000, -0.0002736400000000 ] - [ -0.0641631800000000, 0.0002360400000000, -0.0257428400000000 ] - [ -0.0268542500000000, 0.0096667700000000, 0.0254419900000000 ] - [ 0.0010761300000000, -0.0007008300000000, -0.0010491200000000 ] - [ 0.0001375100000000, 0.0005777700000000, -0.0000737300000000 ] - [ 0.0142229800000000, -0.0033704000000000, -0.0039746400000000 ] - [ -0.0002767100000000, -0.0004716000000000, 0.0003282500000000 ] - [ -0.0000868600000000, -0.0003259200000000, 0.0009093400000000 ] - [ -0.0004713900000000, -0.0009617200000000, 0.0004646000000000 ] - [ -0.0001117500000000, 0.0001097900000000, 0.0001211500000000 ] - [ 0.0000751900000000, -0.0003274900000000, 0.0008463600000000 ] - [ 0.0003140900000000, 0.0004617100000000, -0.0001676100000000 ] - [ -0.0004965100000000, 0.0007909800000000, 0.0004555400000000 ] - [ -0.0005012900000000, -0.0004065200000000, -0.0003060800000000 ] - [ 0.0006624000000000, -0.0008093700000000, -0.0006490600000000 ] - [ 0.0001422000000000, -0.0000162400000000, 0.0001555500000000 ] - [ 0.0001378700000000, 0.0000305700000000, 0.0001305400000000 ] - [ -0.0004434900000000, -0.0004026300000000, 0.0007717100000000 ] - [ -0.0001590500000000, -0.0001486000000000, -0.0001520100000000 ] - [ -0.0003073000000000, -0.0003663200000000, -0.0001567400000000 ] - [ -0.0000000400000000, 0.0000295400000000, 0.0009869500000000 ] - [ 0.0000877600000000, -0.0002616100000000, -0.0000755200000000 ] - [ -0.0001472200000000, 0.0000210100000000, 0.0001170200000000 ] - [ 0.0010969000000000, 0.0007199100000000, -0.0002925800000000 ] - [ 0.0005933200000000, 0.0009446700000000, 0.0002083100000000 ] - [ 0.0004591600000000, 0.0010582500000000, 0.0003368300000000 ] - [ 0.0003886000000000, 0.0003373100000000, 0.0000184500000000 ] - [ 0.0002402800000000, 0.0001764400000000, 0.0005424100000000 ] - [ -0.0000040400000000, 0.0000276400000000, -0.0001581400000000 ] - [ -0.0001369800000000, 0.0002509300000000, -0.0001688600000000 ] - [ -0.0000885900000000, -0.0003346900000000, -0.0001488000000000 ] - [ -0.0005720500000000, -0.0007204200000000, 0.0003006300000000 ] - [ 0.0012125700000000, -0.0004088600000000, 0.0010239200000000 ] - [ 0.0005669800000000, -0.0006274200000000, 0.0002114900000000 ] - [ 0.0007791900000000, -0.0004222700000000, -0.0002728300000000 ] - [ -0.0009602500000000, -0.0008129000000000, -0.0002225000000000 ] - [ -0.0030575900000000, 0.0025152100000000, 0.0000496200000000 ] - [ -0.0007539400000000, 0.0004089200000000, 0.0021700300000000 ] - [ 0.0000945200000000, 0.0004027700000000, 0.0009074100000000 ] - [ -0.0001559600000000, 0.0006093000000000, 0.0004074300000000 ] - [ -0.0209856200000000, -0.0123983800000000, 0.0048523800000000 ] - [ -0.0000000100000000, 0.0000151700000000, 0.0009377900000000 ] - [ 0.0005429400000000, -0.0005387300000000, 0.0003226200000000 ] - [ 0.0000974700000000, 0.0004073000000000, -0.0001702400000000 ] - [ -0.0009773900000000, 0.0004223500000000, -0.0001877000000000 ] - [ -0.0005570600000000, 0.0005789400000000, 0.0002574900000000 ] - [ 0.0002276400000000, 0.0026919000000000, -0.0000233300000000 ] - [ 0.0001325600000000, -0.0002115900000000, -0.0001452300000000 ] - [ 0.0003135000000000, -0.0004193900000000, -0.0002116600000000 ] - [ -0.0003199800000000, 0.0004723700000000, -0.0002205800000000 ] - [ 0.0000939300000000, -0.0004677400000000, 0.0003402600000000 ] - [ 0.0007375100000000, 0.0012300900000000, -0.0007267500000000 ] - [ -0.0002642500000000, 0.0002266000000000, -0.0003886800000000 ] - [ -0.0002340200000000, -0.0003844700000000, 0.0008866100000000 ] - [ 0.0003049500000000, -0.0001951400000000, -0.0005951100000000 ] - [ -0.0003356500000000, -0.0002278300000000, -0.0000431200000000 ] - [ -0.0000989300000000, 0.0003650500000000, -0.0000971500000000 ] - [ -0.0000067900000000, 0.0000132200000000, -0.0002073400000000 ] - [ -0.0000788900000000, 0.0003664100000000, 0.0008459800000000 ] - [ 0.0001394500000000, 0.0002003500000000, -0.0001045900000000 ] - [ 0.0002761800000000, 0.0006155600000000, 0.0002928500000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004687900000000, 0.0003525000000000, -0.0005052900000000 ] - [ -0.0002840300000000, -0.0025322800000000, -0.0009949600000000 ] - [ -0.0007075000000000, -0.0003938100000000, 0.0014815900000000 ] - [ -0.0005354700000000, 0.0009106500000000, -0.0005624600000000 ] - [ 0.0181984500000000, 0.0061647900000000, -0.0072034900000000 ] - [ -0.0060761700000000, -0.0103655200000000, 0.0052781700000000 ] - [ 0.0015215100000000, -0.0076983700000000, 0.0015040000000000 ] - [ 0.0031427800000000, -0.0072137600000000, 0.0011187200000000 ] - [ -0.0003879600000000, 0.0008491900000000, -0.0005472300000000 ] - [ 0.0004931400000000, 0.0022338300000000, -0.0004874100000000 ] - [ -0.0009330300000000, 0.0009376600000000, 0.0001471200000000 ] - [ -0.0124608800000000, 0.0128831500000000, 0.0107398100000000 ] - [ 0.0001692700000000, -0.0028123900000000, -0.0013877800000000 ] - [ -0.0056471100000000, -0.0090931700000000, 0.0047161000000000 ] - [ -0.0007985300000000, -0.0013754500000000, 0.0017933300000000 ] - [ 0.0000820500000000, 0.0005596800000000, -0.0005654300000000 ] - [ 0.0002714400000000, 0.0032491400000000, 0.0000464400000000 ] - [ 0.0010975300000000, 0.0015484200000000, -0.0000093200000000 ] - [ -0.0003934100000000, 0.0028916700000000, 0.0003597400000000 ] - [ 0.0005097100000000, 0.0040870100000000, 0.0003055900000000 ] - [ 0.0001268300000000, 0.0017978300000000, -0.0002594400000000 ] - [ -0.0001611300000000, 0.0020590900000000, 0.0002460500000000 ] - [ 0.0002857400000000, 0.0021657300000000, 0.0004995600000000 ] - [ -0.0002609500000000, 0.0019913000000000, 0.0005841400000000 ] - [ -0.0020479500000000, 0.0043876600000000, 0.0002931600000000 ] - [ -0.0176065100000000, 0.0201349600000000, -0.0085246900000000 ] - [ 0.0081692100000000, 0.0027269200000000, 0.0071212900000000 ] - [ 0.0000933300000000, 0.0019001200000000, 0.0000133800000000 ] - [ -0.0002798100000000, 0.0024209000000000, -0.0001905300000000 ] - [ 0.0001025000000000, 0.0019686100000000, 0.0003468000000000 ] - [ -0.0002241700000000, 0.0023156400000000, 0.0004417800000000 ] - [ 0.0004822500000000, 0.0036348800000000, 0.0003629400000000 ] - [ -0.0002591200000000, 0.0005895700000000, -0.0020597400000000 ] - [ 0.0002369600000000, -0.4019020200000000, -0.0142805200000000 ] - [ -0.0007271200000000, 0.0040756100000000, 0.0008944900000000 ] - [ 0.0004378600000000, -0.0059409900000000, 0.0020541100000000 ] - [ -0.0001817600000000, 0.0031626600000000, -0.0021734800000000 ] - [ 0.0008752900000000, 0.0030031000000000, 0.0015819600000000 ] - [ -0.0021048200000000, -0.0041102100000000, 0.0028029900000000 ] - [ -0.0004478500000000, 0.0038025700000000, 0.0002299500000000 ] - [ 0.0019300500000000, -0.0052504900000000, -0.0029666900000000 ] - [ 0.0010639600000000, 0.0169076600000000, 0.0225942700000000 ] - [ -0.0001027200000000, -0.0040250000000000, 0.0028180000000000 ] - [ 0.0012605900000000, -0.0036705600000000, -0.0061208000000000 ] - [ -0.0000687200000000, -0.0016484900000000, -0.0037659500000000 ] - [ -0.0002825900000000, -0.0067747400000000, 0.0011395000000000 ] - [ -0.0044798400000000, -0.0134486400000000, 0.0001789900000000 ] - [ 0.0006994100000000, 0.0041400900000000, -0.0085260400000000 ] - [ -0.0000853200000000, 0.0058125500000000, -0.0032944100000000 ] - [ 0.0008312200000000, 0.0033643900000000, 0.0002406700000000 ] - [ -0.0003431600000000, 0.0062032100000000, 0.0039366800000000 ] - [ 0.0006261200000000, 0.0060120800000000, 0.0000283100000000 ] - [ -0.0038442000000000, 0.0458179600000000, -0.0283037500000000 ] - [ 0.0000721600000000, 0.0029287600000000, 0.0032202600000000 ] - [ -0.0005636700000000, 0.0040736600000000, -0.0010770900000000 ] - [ 0.0002377300000000, -0.0024381900000000, 0.0016199100000000 ] - [ 0.0006790200000000, 0.0038464100000000, -0.0015526800000000 ] - [ -0.0002750100000000, 0.0037074300000000, 0.0004245600000000 ] - [ 0.0000736100000000, 0.0035078800000000, -0.0013416300000000 ] - [ 0.0002017300000000, 0.0047991900000000, 0.0002123600000000 ] - [ 0.0003171600000000, 0.0046646100000000, -0.0005792200000000 ] - [ -0.0008557700000000, 0.0041535700000000, 0.0003435400000000 ] - [ -0.0007170300000000, 0.0050713000000000, -0.0003597300000000 ] - [ -0.0003840300000000, 0.0060383100000000, -0.0041607500000000 ] - [ 0.0003036700000000, -0.0031348700000000, -0.0007308600000000 ] - [ -0.0002427800000000, 0.0029516000000000, 0.0014368000000000 ] - [ 0.0001247600000000, 0.0025793500000000, 0.0003877200000000 ] - [ -0.0008985700000000, -0.0049805100000000, -0.0034029200000000 ] - [ 0.0010739300000000, 0.0038975100000000, 0.0058025800000000 ] - [ -0.0013726200000000, 0.0076442800000000, 0.0020456000000000 ] - [ 0.0002321900000000, 0.0034999100000000, -0.0012304800000000 ] - [ -0.0004277700000000, 0.0020284800000000, -0.0018366200000000 ] - [ -0.0004734900000000, -0.0011207600000000, -0.0008713600000000 ] - [ 0.0005105700000000, -0.0012479400000000, -0.0000754600000000 ] - [ 0.0001923800000000, 0.0019083400000000, -0.0005633900000000 ] - [ -0.0035069800000000, 0.0015621600000000, -0.0037798200000000 ] - [ -0.0001798900000000, -0.0013509600000000, -0.0005910700000000 ] - [ -0.0004430700000000, 0.0039089000000000, 0.0061449700000000 ] - [ -0.0002284100000000, 0.0025086300000000, 0.0000660800000000 ] - [ -0.0004085100000000, 0.0017353800000000, 0.0005773100000000 ] - [ -0.0010968900000000, 0.0044317800000000, -0.0005542300000000 ] - [ -0.0004232400000000, 0.0041660700000000, 0.0023977900000000 ] - [ 0.0020476200000000, -0.0002316800000000, 0.0007583700000000 ] - [ 0.0009466600000000, 0.0011566700000000, 0.0031331700000000 ] - [ 0.0008405800000000, 0.0019776300000000, 0.0004445100000000 ] - [ 0.0004333600000000, 0.0011022500000000, -0.0006993100000000 ] - [ 0.0002665700000000, 0.0001469800000000, 0.0020727800000000 ] - [ 0.0005615000000000, 0.0015715400000000, -0.0004198100000000 ] - [ -0.0015833600000000, 0.0041739200000000, 0.0027173000000000 ] - [ -0.0042503100000000, 0.0340202400000000, 0.0213342900000000 ] - [ -0.0006744100000000, -0.0009524600000000, -0.0003932800000000 ] - [ 0.0001694900000000, -0.0007757300000000, 0.0001715500000000 ] - [ 0.0014786200000000, -0.0020196500000000, 0.0010473400000000 ] - [ -0.0005155900000000, -0.0010437500000000, 0.0007031400000000 ] - [ -0.0010759900000000, -0.0018504800000000, -0.0007702600000000 ] - [ -0.0002952900000000, -0.0008477400000000, 0.0000611800000000 ] - [ -0.0001787900000000, -0.0015934600000000, 0.0004667300000000 ] - [ -0.0001033900000000, 0.0033868300000000, -0.0009457500000000 ] - [ -0.0001807400000000, 0.0011687600000000, -0.0000407600000000 ] - [ -0.0002389800000000, -0.0022508800000000, 0.0014851800000000 ] - [ 0.0036546100000000, 0.0183209600000000, 0.0009043900000000 ] - [ -0.0004805900000000, -0.0021306000000000, 0.0047984700000000 ] - [ -0.0007131100000000, 0.0065388200000000, 0.0001726000000000 ] - [ -0.0008818100000000, -0.0003322000000000, -0.0006753900000000 ] - [ 0.0001127800000000, -0.0044992600000000, -0.0029659100000000 ] - [ 0.0004151600000000, -0.0025886100000000, 0.0020086600000000 ] - [ 0.0024125400000000, -0.0011924200000000, -0.0041619500000000 ] - [ 0.0015916900000000, 0.0095778900000000, 0.0018721500000000 ] - [ 0.0083068000000000, 0.1070928700000000, -0.0299375100000000 ] - [ -0.0000987200000000, -0.0004672800000000, 0.0008603900000000 ] - [ 0.0001400200000000, -0.0004523800000000, -0.0000613800000000 ] - [ -0.0001748100000000, -0.0003087100000000, -0.0017560100000000 ] - [ -0.0002083900000000, 0.0002374600000000, -0.0018430300000000 ] - [ 0.0002301000000000, -0.0002255600000000, -0.0000576500000000 ] - [ -0.0001357500000000, 0.0001427900000000, 0.0007318800000000 ] - [ -0.0006988400000000, 0.0043937500000000, -0.0012013400000000 ] - [ 0.0009626500000000, 0.0181860800000000, 0.0005407500000000 ] - [ -0.0118074300000000, 0.0521889900000000, 0.0485234200000000 ] - [ 0.0023197500000000, -0.0015736100000000, -0.0027372100000000 ] - [ 0.0001591000000000, 0.0050018400000000, -0.0020408600000000 ] - [ 0.0039098700000000, 0.0085648200000000, 0.0022210800000000 ] - [ -0.0003333400000000, -0.0039933400000000, -0.0011532400000000 ] - [ -0.0002204800000000, -0.0019479700000000, 0.0006981000000000 ] - [ -0.0004755800000000, -0.0035882700000000, -0.0015315500000000 ] - [ -0.0006380500000000, -0.0018381800000000, 0.0005960800000000 ] - [ 0.0002381100000000, -0.0017545500000000, 0.0009363900000000 ] - [ 0.0002230100000000, -0.0016885200000000, 0.0000177200000000 ] - [ -0.0005504300000000, -0.0018612000000000, 0.0013564700000000 ] - [ -0.0000785400000000, -0.0016333400000000, -0.0030922600000000 ] - [ -0.0024527000000000, -0.0026812400000000, -0.0052959800000000 ] - [ -0.0002511300000000, -0.0017123800000000, -0.0002603500000000 ] - [ 0.0005358600000000, -0.0014496700000000, 0.0002915700000000 ] - [ -0.0001648700000000, -0.0016905100000000, -0.0020874600000000 ] - [ -0.0000470800000000, -0.0015635700000000, 0.0002226000000000 ] - [ -0.0003908800000000, -0.0024925800000000, -0.0004623900000000 ] - [ -0.0000772200000000, -0.0012970800000000, 0.0009316200000000 ] - [ 0.0003304800000000, -0.0027227700000000, -0.0007386700000000 ] - [ 0.0002144800000000, -0.0015810400000000, -0.0000500700000000 ] - [ 0.0005232100000000, -0.0015604100000000, 0.0009021800000000 ] - [ 0.0004672800000000, -0.0020547700000000, 0.0003903600000000 ] - [ 0.0004065500000000, -0.0019427200000000, 0.0022047900000000 ] - [ 0.0001397700000000, -0.0012829100000000, -0.0002809300000000 ] - [ 0.0000861800000000, -0.0013819800000000, 0.0016357800000000 ] - [ 0.0000405400000000, -0.0011512500000000, -0.0002310000000000 ] - [ -0.0001000700000000, -0.0010102700000000, -0.0001364800000000 ] - [ -0.0003166700000000, -0.0024559600000000, -0.0006507300000000 ] - [ -0.0005697800000000, -0.0026191400000000, 0.0001261900000000 ] - [ -0.0059665300000000, -0.0064854000000000, -0.0000335400000000 ] - [ 0.0006714700000000, -0.0019986000000000, 0.0009085400000000 ] - [ 0.0011747400000000, -0.0019209100000000, 0.0003192800000000 ] - [ 0.0001461400000000, -0.0021735800000000, -0.0013758600000000 ] - [ 0.0066195000000000, -0.0076563100000000, -0.0002716900000000 ] - [ 0.0029985200000000, -0.0020828600000000, -0.0031536100000000 ] - [ -0.0000617800000000, -0.0013035200000000, 0.0009090600000000 ] - [ 0.0000640900000000, -0.0013978200000000, -0.0002524300000000 ] - [ 0.0189838300000000, 0.1027286600000000, -0.0314451000000000 ] - [ 0.0000186700000000, -0.0010855500000000, 0.0010241700000000 ] - [ 0.0000458600000000, -0.0048121700000000, 0.0002459300000000 ] - [ -0.0001180800000000, -0.0017429800000000, 0.0004237700000000 ] - [ -0.0015531600000000, -0.0007953600000000, -0.0010603000000000 ] - [ -0.0004494800000000, -0.0008370900000000, -0.0001799500000000 ] - [ 0.0011800400000000, -0.0134898900000000, 0.0065043800000000 ] - [ 0.0001332100000000, -0.0013508400000000, -0.0002124400000000 ] - [ 0.0003635700000000, -0.0021743600000000, -0.0003741700000000 ] - [ -0.0002274000000000, -0.0013627500000000, 0.0000785800000000 ] - [ 0.0006208100000000, -0.0024935400000000, 0.0006784400000000 ] - [ -0.0006374600000000, -0.0045410000000000, 0.0007012700000000 ] - [ -0.0000786100000000, -0.0018225700000000, -0.0019148300000000 ] - [ -0.0003966800000000, -0.0022696500000000, 0.0006043700000000 ] - [ 0.0004769600000000, -0.0020655200000000, -0.0003255800000000 ] - [ -0.0007102600000000, -0.0019499400000000, 0.0000020000000000 ] - [ 0.0001162700000000, -0.0019158600000000, 0.0004130300000000 ] - [ 0.0000859700000000, -0.0009527300000000, -0.0001625600000000 ] - [ 0.0000320000000000, -0.0010647100000000, 0.0009804300000000 ] - [ 0.0000717900000000, -0.0010533300000000, -0.0003915200000000 ] - [ 0.0002287600000000, -0.0027359600000000, 0.0015571600000000 ]- atom: 34 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002695300000000, -0.0004551400000000, -0.0004786900000000 ] - [ 0.0015728000000000, 0.0012359600000000, 0.0010174800000000 ] - [ -0.0005845900000000, 0.0016939300000000, -0.0014602300000000 ] - [ -0.0002012000000000, -0.0008087000000000, -0.0004235900000000 ] - [ -0.0182470600000000, -0.0062688100000000, 0.0072631300000000 ] - [ 0.0060958300000000, 0.0103843200000000, -0.0046936600000000 ] - [ -0.0015365700000000, 0.0077169300000000, -0.0004380600000000 ] - [ -0.0031290700000000, 0.0072167500000000, 0.0000232400000000 ] - [ -0.0003508100000000, -0.0009458600000000, -0.0004384700000000 ] - [ 0.0007990600000000, -0.0009421800000000, 0.0005113400000000 ] - [ -0.0003585200000000, -0.0022298100000000, -0.0001227900000000 ] - [ 0.0122190400000000, -0.0127293900000000, -0.0106386400000000 ] - [ -0.0000890000000000, 0.0028335400000000, 0.0013702700000000 ] - [ 0.0056359600000000, 0.0090808200000000, -0.0040851300000000 ] - [ 0.0007176100000000, 0.0013524400000000, -0.0018096900000000 ] - [ 0.0006556000000000, -0.0004638100000000, -0.0004188200000000 ] - [ 0.0004664600000000, -0.0033593100000000, -0.0010292600000000 ] - [ 0.0001937800000000, -0.0028418800000000, 0.0000353000000000 ] - [ -0.0008985800000000, -0.0015984900000000, -0.0003342900000000 ] - [ -0.0012391200000000, -0.0039850100000000, -0.0012930100000000 ] - [ -0.0000483200000000, -0.0018249900000000, 0.0002438700000000 ] - [ 0.0001612900000000, -0.0020598100000000, 0.0003635200000000 ] - [ -0.0002861300000000, -0.0021664800000000, 0.0006062500000000 ] - [ 0.0002608700000000, -0.0019917400000000, 0.0005226500000000 ] - [ 0.0012976200000000, -0.0044712700000000, -0.0012749100000000 ] - [ 0.0190521700000000, -0.0191080600000000, 0.0086817100000000 ] - [ -0.0093910800000000, -0.0039940700000000, -0.0070519600000000 ] - [ -0.0001720200000000, -0.0018742400000000, -0.0000291600000000 ] - [ 0.0003589500000000, -0.0023955600000000, 0.0001767500000000 ] - [ -0.0001022100000000, -0.0019690900000000, 0.0002639000000000 ] - [ 0.0001451000000000, -0.0023418900000000, -0.0004567100000000 ] - [ 0.0002573100000000, -0.0035469900000000, -0.0013472900000000 ] - [ -0.0003613000000000, -0.0007231500000000, 0.0011980100000000 ] - [ 0.0008152600000000, 0.4004800800000000, 0.0143817700000000 ] - [ 0.0013583400000000, -0.0039696600000000, -0.0017657300000000 ] - [ 0.0010566700000000, 0.0078062800000000, -0.0019741300000000 ] - [ 0.0005359900000000, -0.0043799100000000, 0.0004469800000000 ] - [ -0.0002550000000000, -0.0031281100000000, -0.0024510300000000 ] - [ 0.0011484700000000, 0.0040978600000000, -0.0039095500000000 ] - [ 0.0000937100000000, -0.0025863300000000, -0.0019561800000000 ] - [ -0.0009703600000000, 0.0052152500000000, 0.0018637500000000 ] - [ -0.0020177900000000, -0.0169424700000000, -0.0239312000000000 ] - [ -0.0002544100000000, 0.0027884800000000, -0.0045403600000000 ] - [ -0.0003199400000000, 0.0036728800000000, 0.0050423400000000 ] - [ 0.0004258600000000, 0.0028756400000000, 0.0020399200000000 ] - [ -0.0012119200000000, 0.0049141300000000, -0.0010588700000000 ] - [ 0.0030069300000000, 0.0153103900000000, -0.0000860100000000 ] - [ -0.0013181500000000, -0.0040068100000000, 0.0076360700000000 ] - [ -0.0005352200000000, -0.0059358700000000, 0.0024430100000000 ] - [ 0.0006633500000000, -0.0052249400000000, -0.0001526600000000 ] - [ 0.0009619200000000, -0.0060431500000000, -0.0047767000000000 ] - [ 0.0008681400000000, -0.0041537200000000, 0.0000604800000000 ] - [ 0.0042486000000000, -0.0467724200000000, 0.0263820900000000 ] - [ 0.0005439000000000, -0.0030548600000000, -0.0040706400000000 ] - [ -0.0003921600000000, -0.0040779400000000, -0.0000355800000000 ] - [ -0.0005943200000000, 0.0037123300000000, -0.0033662700000000 ] - [ 0.0002766400000000, -0.0038493800000000, 0.0004407400000000 ] - [ -0.0006809200000000, -0.0037051200000000, -0.0015360700000000 ] - [ -0.0004279200000000, -0.0047296300000000, -0.0003856300000000 ] - [ 0.0007541400000000, -0.0047955500000000, -0.0013238100000000 ] - [ 0.0000357800000000, -0.0034479000000000, -0.0011498900000000 ] - [ -0.0006385000000000, -0.0060151900000000, -0.0002551000000000 ] - [ -0.0007775300000000, -0.0032136400000000, 0.0004477800000000 ] - [ -0.0002406600000000, -0.0059128800000000, 0.0033161700000000 ] - [ 0.0002504000000000, 0.0019929000000000, 0.0012554100000000 ] - [ -0.0003118800000000, -0.0041018000000000, -0.0009143700000000 ] - [ -0.0003037700000000, -0.0032755700000000, 0.0013680500000000 ] - [ -0.0000184700000000, 0.0031966600000000, 0.0042960400000000 ] - [ -0.0013821200000000, -0.0038616600000000, -0.0055667900000000 ] - [ 0.0015952500000000, -0.0084104700000000, -0.0002297400000000 ] - [ 0.0003914800000000, -0.0026597200000000, 0.0008647400000000 ] - [ -0.0004919000000000, -0.0002139800000000, 0.0026850400000000 ] - [ -0.0001688500000000, 0.0005632700000000, -0.0004175000000000 ] - [ 0.0002088400000000, 0.0006775800000000, -0.0000679100000000 ] - [ 0.0001224700000000, -0.0019438700000000, 0.0008462000000000 ] - [ 0.0038079800000000, -0.0015501200000000, 0.0040601200000000 ] - [ -0.0004170900000000, 0.0017579300000000, 0.0018760800000000 ] - [ 0.0002009800000000, -0.0043410900000000, -0.0064206500000000 ] - [ -0.0003953900000000, -0.0033553100000000, -0.0004344000000000 ] - [ 0.0004057200000000, -0.0017359300000000, 0.0013768000000000 ] - [ 0.0012949800000000, -0.0051486500000000, 0.0003051100000000 ] - [ 0.0001199200000000, -0.0042012800000000, -0.0021254200000000 ] - [ -0.0003034500000000, 0.0013937700000000, -0.0012668300000000 ] - [ 0.0001855800000000, 0.0001682400000000, -0.0026091900000000 ] - [ 0.0000777200000000, -0.0001653300000000, 0.0004137900000000 ] - [ 0.0002865100000000, -0.0005267600000000, 0.0005577000000000 ] - [ 0.0003301000000000, 0.0002533600000000, -0.0007888200000000 ] - [ -0.0005575800000000, -0.0015727200000000, 0.0000363400000000 ] - [ 0.0013121300000000, -0.0037382800000000, -0.0030013800000000 ] - [ 0.0042073500000000, -0.0348272200000000, -0.0222470000000000 ] - [ -0.0004553200000000, -0.0003758700000000, 0.0009088000000000 ] - [ 0.0000789100000000, 0.0018118300000000, 0.0004186700000000 ] - [ -0.0003145500000000, 0.0006738300000000, -0.0005240700000000 ] - [ 0.0022547300000000, -0.0001154700000000, -0.0012110700000000 ] - [ -0.0006657500000000, 0.0006915300000000, 0.0002616800000000 ] - [ -0.0004240000000000, 0.0014189700000000, -0.0002042700000000 ] - [ -0.0000692600000000, 0.0005585000000000, 0.0001223900000000 ] - [ 0.0002796100000000, -0.0026876500000000, 0.0026925500000000 ] - [ -0.0000670400000000, -0.0001277900000000, 0.0006332400000000 ] - [ -0.0003156900000000, 0.0033940800000000, -0.0009611100000000 ] - [ -0.0041327700000000, -0.0183376000000000, 0.0008765300000000 ] - [ 0.0013982700000000, 0.0003154900000000, -0.0039424900000000 ] - [ 0.0008589600000000, -0.0057665000000000, -0.0005114200000000 ] - [ -0.0008634000000000, 0.0014922900000000, 0.0001672700000000 ] - [ -0.0012433700000000, 0.0057964000000000, 0.0034634800000000 ] - [ 0.0001827200000000, 0.0021817800000000, -0.0007223800000000 ] - [ -0.0021523100000000, 0.0007356300000000, 0.0038804000000000 ] - [ -0.0009527000000000, -0.0103286400000000, -0.0022157800000000 ] - [ -0.0097730200000000, -0.1145438000000000, 0.0323185700000000 ] - [ 0.0003490400000000, -0.0005724400000000, -0.0002690200000000 ] - [ 0.0005029100000000, 0.0010100800000000, -0.0012276000000000 ] - [ -0.0004689100000000, 0.0008655300000000, 0.0004727500000000 ] - [ -0.0003875900000000, -0.0006382200000000, 0.0031235800000000 ] - [ 0.0004118300000000, -0.0003288600000000, -0.0012325500000000 ] - [ -0.0005845000000000, -0.0007176000000000, -0.0008739800000000 ] - [ 0.0005059600000000, -0.0036891000000000, 0.0009417900000000 ] - [ -0.0005550500000000, -0.0181803300000000, -0.0007820200000000 ] - [ 0.0113395100000000, -0.0513532800000000, -0.0453703100000000 ] - [ -0.0020768200000000, 0.0020228600000000, 0.0024626000000000 ] - [ 0.0003945800000000, -0.0038494200000000, 0.0025610900000000 ] - [ -0.0033887900000000, -0.0098230100000000, -0.0017398900000000 ] - [ -0.0002205600000000, 0.0028505500000000, 0.0016778200000000 ] - [ 0.0000431200000000, 0.0012520900000000, 0.0010544800000000 ] - [ -0.0004411300000000, 0.0017855000000000, 0.0023938700000000 ] - [ 0.0003334800000000, 0.0018971000000000, -0.0003213900000000 ] - [ -0.0000611000000000, 0.0010584400000000, 0.0008169700000000 ] - [ 0.0004004300000000, 0.0025390900000000, -0.0003901500000000 ] - [ -0.0003661800000000, 0.0036633600000000, -0.0004911800000000 ] - [ -0.0005621200000000, 0.0010719400000000, 0.0018041500000000 ] - [ 0.0032014800000000, 0.0021180400000000, 0.0051644500000000 ] - [ 0.0005561100000000, 0.0016544100000000, 0.0005355400000000 ] - [ -0.0002309900000000, 0.0015093900000000, -0.0000170900000000 ] - [ -0.0004318900000000, 0.0020918700000000, 0.0033857800000000 ] - [ -0.0002055700000000, 0.0011511600000000, -0.0005025800000000 ] - [ -0.0002326000000000, 0.0016427900000000, 0.0000905100000000 ] - [ 0.0000775000000000, 0.0012977400000000, 0.0010199600000000 ] - [ -0.0001401600000000, 0.0020184000000000, 0.0004741900000000 ] - [ -0.0005194200000000, 0.0015220500000000, 0.0003248500000000 ] - [ 0.0012226700000000, 0.0027152900000000, -0.0014133100000000 ] - [ 0.0006648200000000, 0.0033770100000000, 0.0001203900000000 ] - [ 0.0005091800000000, 0.0037449800000000, -0.0013416300000000 ] - [ 0.0005795400000000, 0.0018544900000000, 0.0001375500000000 ] - [ 0.0005127800000000, 0.0017903400000000, -0.0003487300000000 ] - [ -0.0000408000000000, 0.0011518500000000, -0.0001542900000000 ] - [ -0.0001527500000000, 0.0014231400000000, -0.0001441900000000 ] - [ 0.0001264400000000, 0.0017509400000000, 0.0003858900000000 ] - [ -0.0005612200000000, 0.0012963100000000, 0.0003857800000000 ] - [ 0.0062461000000000, 0.0075581200000000, 0.0006342900000000 ] - [ 0.0004602300000000, 0.0006779000000000, -0.0003956600000000 ] - [ 0.0005668900000000, 0.0007599900000000, -0.0008320500000000 ] - [ -0.0018857500000000, 0.0010052700000000, 0.0008599200000000 ] - [ -0.0073376100000000, 0.0081944500000000, 0.0001500400000000 ] - [ -0.0032836700000000, 0.0010468800000000, 0.0037691600000000 ] - [ 0.0002390900000000, 0.0020002900000000, 0.0008427800000000 ] - [ -0.0003126600000000, 0.0024348900000000, 0.0008424600000000 ] - [ -0.0180822100000000, -0.0937373200000000, 0.0284576300000000 ] - [ -0.0000186800000000, 0.0010857800000000, 0.0009279000000000 ] - [ 0.0008703800000000, 0.0030099400000000, 0.0006232200000000 ] - [ 0.0003087100000000, 0.0024490100000000, -0.0006887800000000 ] - [ -0.0001918300000000, 0.0019558200000000, 0.0005471300000000 ] - [ -0.0006830200000000, 0.0021610100000000, 0.0006943000000000 ] - [ -0.0005844100000000, 0.0130564700000000, -0.0052089400000000 ] - [ 0.0001194000000000, 0.0009385000000000, -0.0000682500000000 ] - [ 0.0002601100000000, 0.0013242200000000, 0.0000026000000000 ] - [ -0.0003961500000000, 0.0022140200000000, -0.0004511700000000 ] - [ -0.0003707500000000, 0.0014618000000000, -0.0000886400000000 ] - [ 0.0012846800000000, 0.0051027300000000, -0.0020038200000000 ] - [ -0.0005654300000000, 0.0023757100000000, 0.0006223200000000 ] - [ -0.0002007900000000, 0.0018663300000000, 0.0006837300000000 ] - [ 0.0001654600000000, 0.0015089200000000, -0.0009707700000000 ] - [ -0.0000092000000000, 0.0013819800000000, -0.0001441300000000 ] - [ -0.0003066100000000, 0.0026222000000000, -0.0006780700000000 ] - [ -0.0000861600000000, 0.0009528900000000, -0.0002221500000000 ] - [ -0.0002094200000000, 0.0017614700000000, 0.0007725300000000 ] - [ 0.0001811600000000, 0.0014668200000000, 0.0001118500000000 ] - [ 0.0003256500000000, 0.0038816400000000, -0.0010346400000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005685100000000, 0.0005951000000000, 0.0003725200000000 ] - [ 0.0006339500000000, -0.0011925600000000, 0.0026200300000000 ] - [ 0.0000601700000000, 0.0008840500000000, 0.0042745800000000 ] - [ -0.0009098100000000, -0.0002839300000000, 0.0008894600000000 ] - [ -0.0062049400000000, -0.0063079200000000, -0.0020496200000000 ] - [ -0.0140530300000000, -0.0060631800000000, 0.0186381300000000 ] - [ 0.0078640500000000, -0.0011684200000000, 0.0114614500000000 ] - [ 0.0080612600000000, -0.0027743100000000, 0.0099120500000000 ] - [ -0.0001612200000000, -0.0005597900000000, 0.0008030900000000 ] - [ 0.0006266700000000, 0.0006165500000000, 0.0003606300000000 ] - [ -0.0007242400000000, -0.0002814500000000, 0.0003364100000000 ] - [ -0.0086392500000000, 0.0203973600000000, -0.0076547500000000 ] - [ -0.0000680000000000, -0.0012641700000000, 0.0027894300000000 ] - [ -0.0114630200000000, -0.0063037900000000, 0.0156103500000000 ] - [ -0.0013164100000000, 0.0005262800000000, 0.0043513700000000 ] - [ 0.0003226500000000, 0.0008476000000000, 0.0003905000000000 ] - [ 0.0003434200000000, 0.0003748900000000, -0.0019401800000000 ] - [ 0.0005982600000000, -0.0008987300000000, -0.0003345200000000 ] - [ -0.0006346100000000, 0.0009129900000000, -0.0003393000000000 ] - [ -0.0003010500000000, -0.0012272800000000, -0.0019703200000000 ] - [ 0.0000198500000000, -0.0000762800000000, 0.0003439800000000 ] - [ -0.0000027000000000, 0.0001165000000000, 0.0003642700000000 ] - [ 0.0000126200000000, 0.0001024700000000, 0.0006019500000000 ] - [ -0.0000097900000000, 0.0000852300000000, 0.0005085600000000 ] - [ -0.0001108000000000, -0.0008272400000000, -0.0017435000000000 ] - [ 0.0072003300000000, -0.0089486300000000, -0.0008664200000000 ] - [ -0.0007294400000000, 0.0028255200000000, -0.0055622100000000 ] - [ 0.0000373600000000, 0.0005298500000000, 0.0003656700000000 ] - [ 0.0001339100000000, -0.0002788800000000, -0.0003777200000000 ] - [ 0.0000057100000000, 0.0000839700000000, 0.0002494400000000 ] - [ -0.0000864400000000, 0.0003313300000000, -0.0004231800000000 ] - [ 0.0003269500000000, 0.0002116800000000, -0.0020792400000000 ] - [ 0.0000372300000000, -0.0017622800000000, 0.0012790500000000 ] - [ 0.0130390600000000, -0.0163107300000000, -0.3875169500000000 ] - [ -0.0018550200000000, 0.0069714800000000, 0.0015734600000000 ] - [ 0.0003877700000000, -0.0010782000000000, 0.0086491200000000 ] - [ 0.0002916500000000, -0.0013314500000000, -0.0001467200000000 ] - [ 0.0007131600000000, 0.0016874000000000, -0.0006896200000000 ] - [ -0.0032448500000000, 0.0027774700000000, 0.0033113100000000 ] - [ -0.0002638500000000, 0.0016304300000000, -0.0003614000000000 ] - [ 0.0002826000000000, -0.0036980600000000, -0.0018723500000000 ] - [ 0.0065246600000000, 0.0470484200000000, 0.0180416000000000 ] - [ 0.0008533700000000, 0.0013535100000000, 0.0034279100000000 ] - [ 0.0002099000000000, -0.0043527100000000, 0.0048349200000000 ] - [ -0.0003629700000000, -0.0009604200000000, 0.0022815800000000 ] - [ 0.0002811000000000, 0.0001741300000000, 0.0107445200000000 ] - [ 0.0281112200000000, 0.0008110900000000, -0.0288291000000000 ] - [ -0.0005682200000000, -0.0012005000000000, 0.0014725600000000 ] - [ -0.0002406200000000, -0.0028295400000000, -0.0003878400000000 ] - [ 0.0006831100000000, -0.0007360400000000, 0.0004367100000000 ] - [ -0.0006527400000000, 0.0038649000000000, -0.0006245800000000 ] - [ 0.0008293500000000, 0.0009419500000000, -0.0004086100000000 ] - [ 0.0029020200000000, -0.0204146900000000, 0.0101487200000000 ] - [ 0.0007568900000000, 0.0029256300000000, -0.0021680800000000 ] - [ -0.0005555800000000, 0.0006275800000000, -0.0010600500000000 ] - [ -0.0016335400000000, 0.0024648100000000, -0.0040533300000000 ] - [ 0.0003691900000000, -0.0003456000000000, -0.0000876600000000 ] - [ -0.0004172100000000, 0.0006536700000000, -0.0001966800000000 ] - [ 0.0000368600000000, 0.0007736300000000, -0.0018327900000000 ] - [ 0.0005665300000000, -0.0003231900000000, -0.0008233100000000 ] - [ 0.0000871100000000, -0.0000298700000000, -0.0012120100000000 ] - [ -0.0008326600000000, -0.0006336000000000, -0.0003565100000000 ] - [ -0.0006650400000000, 0.0013306000000000, 0.0004579000000000 ] - [ -0.0006597500000000, -0.0036044300000000, -0.0005944600000000 ] - [ 0.0002918900000000, -0.0009570400000000, -0.0001010800000000 ] - [ -0.0001361200000000, -0.0005846100000000, -0.0019622700000000 ] - [ 0.0000180500000000, 0.0011431500000000, -0.0025971900000000 ] - [ -0.0016351200000000, -0.0114465000000000, -0.0086215900000000 ] - [ 0.0000765300000000, 0.0036803600000000, -0.0036327200000000 ] - [ 0.0009228100000000, 0.0003949500000000, 0.0085982100000000 ] - [ 0.0000397100000000, 0.0023424700000000, -0.0036048500000000 ] - [ -0.0001192000000000, -0.0024355100000000, 0.0021253000000000 ] - [ -0.0003577800000000, -0.0007188400000000, -0.0017681600000000 ] - [ 0.0002469000000000, -0.0004407700000000, -0.0004347800000000 ] - [ -0.0015809500000000, -0.0025095000000000, -0.0014102700000000 ] - [ -0.0050169700000000, -0.0050306700000000, -0.0047764400000000 ] - [ -0.0002577500000000, -0.0009831100000000, 0.0000401800000000 ] - [ -0.0000406000000000, 0.0042234400000000, -0.0037532300000000 ] - [ -0.0001982500000000, -0.0006421100000000, -0.0024694100000000 ] - [ -0.0003320700000000, 0.0002734000000000, -0.0018784200000000 ] - [ -0.0009132600000000, -0.0002638400000000, -0.0064332600000000 ] - [ -0.0021552800000000, 0.0026618700000000, -0.0000120300000000 ] - [ 0.0008563200000000, 0.0010245100000000, -0.0006998600000000 ] - [ 0.0004967100000000, 0.0011319700000000, -0.0004762400000000 ] - [ 0.0005679300000000, 0.0034255200000000, -0.0012674500000000 ] - [ 0.0002243300000000, -0.0005481800000000, -0.0021278300000000 ] - [ 0.0002842400000000, 0.0005839500000000, 0.0000703300000000 ] - [ 0.0003183900000000, 0.0001306500000000, -0.0033048200000000 ] - [ 0.0010039200000000, 0.0024091700000000, -0.0010439000000000 ] - [ -0.0204705300000000, 0.0094623100000000, 0.0816981300000000 ] - [ -0.0008860700000000, -0.0018566300000000, 0.0001770800000000 ] - [ 0.0000118300000000, 0.0002847600000000, -0.0001606900000000 ] - [ 0.0004610900000000, 0.0006448800000000, 0.0002431300000000 ] - [ 0.0007981600000000, -0.0000943500000000, -0.0007090100000000 ] - [ -0.0021068200000000, -0.0019930200000000, -0.0006289900000000 ] - [ -0.0001721100000000, 0.0001680500000000, -0.0006152600000000 ] - [ -0.0000447000000000, -0.0006853600000000, 0.0000508800000000 ] - [ -0.0006937600000000, 0.0008211400000000, -0.0048789100000000 ] - [ -0.0002862500000000, -0.0007300900000000, -0.0016011900000000 ] - [ -0.0002919300000000, 0.0006076800000000, 0.0000041800000000 ] - [ 0.0169438900000000, -0.0007343000000000, 0.0329195100000000 ] - [ 0.0004817700000000, 0.0022853400000000, 0.0009952700000000 ] - [ 0.0012504200000000, 0.0012510300000000, 0.0062113700000000 ] - [ 0.0003686300000000, -0.0007188300000000, -0.0004585400000000 ] - [ -0.0022055700000000, -0.0030545300000000, 0.0003600900000000 ] - [ 0.0002260700000000, 0.0010622200000000, -0.0003006700000000 ] - [ 0.0055963600000000, -0.0067085600000000, -0.0068891500000000 ] - [ -0.0018122000000000, -0.0000148100000000, 0.0051143400000000 ] - [ -0.0039851200000000, -0.0259296900000000, 0.0305725000000000 ] - [ 0.0002471000000000, 0.0007929300000000, -0.0016171200000000 ] - [ 0.0003090400000000, 0.0004160300000000, -0.0015893500000000 ] - [ 0.0001178200000000, -0.0004576800000000, -0.0038503300000000 ] - [ -0.0002092000000000, -0.0008950700000000, 0.0003041100000000 ] - [ 0.0002748600000000, -0.0002288100000000, -0.0020760300000000 ] - [ 0.0000645400000000, 0.0007933000000000, -0.0020044600000000 ] - [ -0.0001668300000000, 0.0020124700000000, -0.0039775400000000 ] - [ 0.0161453800000000, 0.0003855200000000, 0.0335869500000000 ] - [ -0.0230903500000000, 0.0456236600000000, 0.1339349100000000 ] - [ 0.0057465600000000, -0.0052964100000000, -0.0077084100000000 ] - [ -0.0000489300000000, 0.0017602200000000, -0.0029296300000000 ] - [ -0.0027549500000000, 0.0015688100000000, 0.0073716200000000 ] - [ -0.0002590200000000, -0.0004454400000000, 0.0005263800000000 ] - [ -0.0001341100000000, -0.0004345000000000, 0.0010610200000000 ] - [ -0.0004326600000000, -0.0016094100000000, 0.0003409300000000 ] - [ -0.0001439000000000, 0.0000938300000000, 0.0001345400000000 ] - [ 0.0000576300000000, -0.0004080100000000, 0.0006899900000000 ] - [ 0.0002942800000000, 0.0002992700000000, -0.0000506000000000 ] - [ -0.0005159800000000, 0.0002510900000000, 0.0007641200000000 ] - [ -0.0005771000000000, -0.0008306500000000, 0.0015847800000000 ] - [ 0.0004675100000000, -0.0002208700000000, 0.0046658700000000 ] - [ 0.0001230800000000, -0.0002195000000000, 0.0001636100000000 ] - [ 0.0001907900000000, -0.0001680400000000, 0.0001551700000000 ] - [ -0.0003861300000000, 0.0007524600000000, 0.0016194400000000 ] - [ -0.0001486500000000, -0.0001215500000000, -0.0001312700000000 ] - [ -0.0002880500000000, -0.0004112300000000, -0.0000519400000000 ] - [ -0.0000070400000000, -0.0000401600000000, 0.0011130000000000 ] - [ 0.0001117300000000, -0.0003328800000000, -0.0000030800000000 ] - [ -0.0001589100000000, 0.0000306200000000, 0.0000716200000000 ] - [ 0.0011844000000000, 0.0017285700000000, -0.0002677400000000 ] - [ 0.0006179500000000, 0.0014849400000000, 0.0003392500000000 ] - [ 0.0004531400000000, 0.0015126900000000, 0.0002235600000000 ] - [ 0.0005855300000000, 0.0002413000000000, 0.0005512900000000 ] - [ 0.0004184700000000, 0.0010987100000000, 0.0007518700000000 ] - [ -0.0000101900000000, -0.0000305800000000, -0.0000663200000000 ] - [ -0.0001101900000000, 0.0003131500000000, -0.0002575000000000 ] - [ -0.0000969100000000, -0.0005775600000000, -0.0003179400000000 ] - [ -0.0006367100000000, -0.0012432600000000, 0.0005510400000000 ] - [ 0.0024850700000000, 0.0048543500000000, 0.0013518100000000 ] - [ 0.0005223300000000, -0.0003950800000000, -0.0000119800000000 ] - [ 0.0006538100000000, 0.0002056900000000, -0.0001375500000000 ] - [ -0.0008728700000000, -0.0016288100000000, 0.0000910700000000 ] - [ -0.0040672100000000, 0.0034871300000000, 0.0035595000000000 ] - [ 0.0003726300000000, -0.0017334000000000, 0.0042681100000000 ] - [ 0.0001338400000000, 0.0003525000000000, 0.0010810600000000 ] - [ -0.0003405000000000, 0.0005568100000000, 0.0007716800000000 ] - [ -0.0079372300000000, -0.0314290200000000, 0.0353862200000000 ] - [ 0.0000042400000000, -0.0000768900000000, 0.0008457800000000 ] - [ 0.0005366200000000, -0.0004039000000000, 0.0002528000000000 ] - [ 0.0000823500000000, 0.0003894300000000, -0.0002906400000000 ] - [ -0.0012440200000000, -0.0005491400000000, 0.0000314000000000 ] - [ -0.0004859200000000, -0.0001277300000000, 0.0000328800000000 ] - [ 0.0000030600000000, 0.0020806800000000, -0.0002550300000000 ] - [ 0.0001271300000000, -0.0004248800000000, -0.0001769600000000 ] - [ 0.0003216100000000, -0.0006106500000000, -0.0003372300000000 ] - [ -0.0003224700000000, 0.0003567900000000, -0.0002943200000000 ] - [ 0.0002043300000000, -0.0005350500000000, 0.0006262500000000 ] - [ 0.0008030900000000, 0.0021959000000000, 0.0007127000000000 ] - [ -0.0001882400000000, -0.0004193200000000, 0.0009970500000000 ] - [ -0.0002948200000000, -0.0021697700000000, 0.0020059600000000 ] - [ 0.0003371200000000, 0.0002637800000000, 0.0004700700000000 ] - [ -0.0004837900000000, -0.0002002800000000, 0.0003710800000000 ] - [ -0.0000948900000000, 0.0001286600000000, 0.0000756800000000 ] - [ -0.0000139600000000, -0.0000672100000000, -0.0003142300000000 ] - [ -0.0000361400000000, 0.0002023700000000, 0.0006903800000000 ] - [ 0.0001059300000000, -0.0000238700000000, -0.0000203600000000 ] - [ 0.0002556500000000, 0.0001907500000000, 0.0007084500000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001697600000000, -0.0006924700000000, -0.0013588000000000 ] - [ 0.0006588300000000, -0.0000878400000000, -0.0025995800000000 ] - [ -0.0013586300000000, 0.0004048300000000, -0.0042592000000000 ] - [ 0.0001727400000000, 0.0003776000000000, -0.0018764000000000 ] - [ 0.0063045400000000, 0.0062755800000000, 0.0019979100000000 ] - [ 0.0139355600000000, 0.0060805500000000, -0.0178866500000000 ] - [ -0.0077900900000000, 0.0011762400000000, -0.0102734100000000 ] - [ -0.0081262600000000, 0.0027924300000000, -0.0088850100000000 ] - [ -0.0005775300000000, 0.0004540200000000, -0.0017891000000000 ] - [ 0.0006649900000000, 0.0006751600000000, -0.0003357100000000 ] - [ -0.0005665000000000, -0.0010139300000000, -0.0003112400000000 ] - [ 0.0085288800000000, -0.0202899700000000, 0.0075985500000000 ] - [ 0.0001483000000000, 0.0013059000000000, -0.0028062800000000 ] - [ 0.0115489500000000, 0.0063168500000000, -0.0151166800000000 ] - [ 0.0012364300000000, -0.0005622200000000, -0.0043588900000000 ] - [ 0.0004156600000000, -0.0007458700000000, -0.0013762500000000 ] - [ 0.0003933500000000, -0.0004730800000000, 0.0009586600000000 ] - [ 0.0006932200000000, -0.0003948800000000, 0.0003590400000000 ] - [ -0.0006566500000000, 0.0003750800000000, 0.0003631000000000 ] - [ -0.0004361800000000, 0.0013168800000000, 0.0009851600000000 ] - [ 0.0000592500000000, 0.0000489500000000, -0.0003584600000000 ] - [ 0.0000030000000000, -0.0001191400000000, 0.0002466500000000 ] - [ -0.0000132600000000, -0.0001052400000000, 0.0005050000000000 ] - [ 0.0000100000000000, -0.0000877700000000, 0.0005978100000000 ] - [ -0.0006241000000000, 0.0007168200000000, 0.0007557900000000 ] - [ -0.0059326200000000, 0.0102343900000000, 0.0008415200000000 ] - [ -0.0005727700000000, -0.0041349700000000, 0.0055571300000000 ] - [ -0.0001167000000000, -0.0005076500000000, -0.0003802000000000 ] - [ -0.0000552500000000, 0.0003035300000000, 0.0003627600000000 ] - [ -0.0000056400000000, -0.0000865900000000, 0.0003602900000000 ] - [ 0.0000075500000000, -0.0003618400000000, 0.0004078000000000 ] - [ 0.0004121900000000, -0.0001107500000000, 0.0010998500000000 ] - [ -0.0006609800000000, 0.0016460100000000, -0.0021345500000000 ] - [ -0.0109574300000000, 0.0126228900000000, 0.3861922600000000 ] - [ 0.0025028000000000, -0.0069086000000000, -0.0024440600000000 ] - [ 0.0011092300000000, 0.0029494800000000, -0.0085677400000000 ] - [ 0.0000630800000000, 0.0001086800000000, -0.0015809000000000 ] - [ -0.0000962200000000, -0.0018218400000000, -0.0001612000000000 ] - [ 0.0022988300000000, -0.0027395800000000, -0.0044069200000000 ] - [ -0.0000904700000000, -0.0004169000000000, -0.0013681900000000 ] - [ 0.0006588600000000, 0.0037202600000000, 0.0008002400000000 ] - [ -0.0074807300000000, -0.0473725300000000, -0.0193229900000000 ] - [ -0.0012082400000000, -0.0025497100000000, -0.0051717600000000 ] - [ 0.0007364800000000, 0.0043123500000000, -0.0059277200000000 ] - [ 0.0007169500000000, 0.0021601700000000, -0.0040096000000000 ] - [ -0.0017788100000000, -0.0020240300000000, -0.0106624800000000 ] - [ -0.0296328700000000, 0.0010758100000000, 0.0289240100000000 ] - [ -0.0000532800000000, 0.0013305200000000, -0.0023228100000000 ] - [ -0.0003785500000000, 0.0027041400000000, -0.0004816000000000 ] - [ 0.0008118400000000, -0.0011292200000000, -0.0003495000000000 ] - [ 0.0012791000000000, -0.0037424200000000, -0.0002462500000000 ] - [ 0.0006651800000000, 0.0009106800000000, 0.0004975100000000 ] - [ -0.0025410900000000, 0.0192235200000000, -0.0117951400000000 ] - [ -0.0001358800000000, -0.0030511800000000, 0.0012986300000000 ] - [ -0.0003998200000000, -0.0006358100000000, -0.0000502700000000 ] - [ 0.0012727500000000, -0.0012321100000000, 0.0023354400000000 ] - [ 0.0005865100000000, 0.0003381400000000, -0.0010260200000000 ] - [ -0.0005390400000000, -0.0006561500000000, -0.0009192100000000 ] - [ -0.0003925700000000, -0.0019992100000000, 0.0001116100000000 ] - [ 0.0003892500000000, 0.0003218200000000, -0.0002879800000000 ] - [ 0.0002671000000000, 0.0012431500000000, -0.0005123300000000 ] - [ -0.0006616000000000, -0.0012322100000000, 0.0004449100000000 ] - [ -0.0008299700000000, 0.0005231500000000, -0.0003699400000000 ] - [ 0.0000341400000000, 0.0037270500000000, -0.0002810100000000 ] - [ 0.0002630700000000, -0.0001825900000000, 0.0006261900000000 ] - [ -0.0004183600000000, -0.0005579600000000, 0.0024873500000000 ] - [ -0.0001855500000000, -0.0018342100000000, 0.0043529900000000 ] - [ 0.0007258700000000, 0.0097224600000000, 0.0095588300000000 ] - [ -0.0003834800000000, -0.0035913700000000, 0.0039038500000000 ] - [ -0.0006657000000000, -0.0011186100000000, -0.0067558700000000 ] - [ 0.0005797500000000, -0.0014907300000000, 0.0032319700000000 ] - [ -0.0007957700000000, 0.0042289200000000, -0.0012520000000000 ] - [ -0.0002841600000000, 0.0001651000000000, 0.0004759900000000 ] - [ 0.0004722900000000, -0.0001298900000000, 0.0002923700000000 ] - [ 0.0018665200000000, 0.0024296100000000, 0.0016829400000000 ] - [ 0.0053019000000000, 0.0051139100000000, 0.0050467800000000 ] - [ -0.0003394700000000, 0.0013901700000000, 0.0012499400000000 ] - [ -0.0001957800000000, -0.0046208100000000, 0.0034852200000000 ] - [ -0.0004256200000000, -0.0002143500000000, 0.0020997000000000 ] - [ 0.0003338800000000, -0.0002759400000000, 0.0038417500000000 ] - [ 0.0011012000000000, -0.0004426400000000, 0.0061552200000000 ] - [ 0.0018689400000000, -0.0027433200000000, 0.0002732300000000 ] - [ 0.0008852300000000, 0.0001350300000000, 0.0001873200000000 ] - [ 0.0006334000000000, 0.0001834600000000, 0.0009837900000000 ] - [ 0.0003478000000000, -0.0016358200000000, 0.0021330900000000 ] - [ 0.0004938400000000, 0.0011148600000000, 0.0019893800000000 ] - [ 0.0003136400000000, -0.0001712100000000, 0.0012241200000000 ] - [ -0.0003209800000000, -0.0001341200000000, 0.0029130200000000 ] - [ -0.0012661300000000, -0.0020065600000000, 0.0007475700000000 ] - [ 0.0218076300000000, -0.0128194700000000, -0.0880529000000000 ] - [ -0.0002367100000000, 0.0005366300000000, 0.0003317700000000 ] - [ 0.0002360400000000, 0.0007549800000000, 0.0007515200000000 ] - [ 0.0006779000000000, -0.0019658300000000, 0.0002747500000000 ] - [ 0.0009469300000000, -0.0010682400000000, 0.0001961100000000 ] - [ 0.0003668300000000, 0.0008393700000000, 0.0001184200000000 ] - [ -0.0005471300000000, 0.0004060000000000, 0.0004726400000000 ] - [ -0.0002029200000000, -0.0003503600000000, 0.0005388000000000 ] - [ 0.0008737500000000, -0.0001303600000000, 0.0066551200000000 ] - [ 0.0000356600000000, 0.0017620400000000, 0.0021926400000000 ] - [ -0.0002637400000000, 0.0005389500000000, 0.0005181000000000 ] - [ -0.0166190400000000, 0.0007528700000000, -0.0310777800000000 ] - [ 0.0004311600000000, -0.0040754500000000, -0.0001069400000000 ] - [ -0.0011261300000000, -0.0005248000000000, -0.0065701200000000 ] - [ -0.0021177500000000, 0.0018802200000000, -0.0000529500000000 ] - [ 0.0010784500000000, 0.0043967100000000, 0.0001658900000000 ] - [ 0.0003715300000000, -0.0014650900000000, 0.0015892500000000 ] - [ -0.0052913900000000, 0.0062743300000000, 0.0065573400000000 ] - [ 0.0024607700000000, -0.0007900400000000, -0.0054784600000000 ] - [ 0.0033261800000000, 0.0263651600000000, -0.0310153200000000 ] - [ 0.0000041000000000, -0.0018237800000000, 0.0022043700000000 ] - [ 0.0003336500000000, 0.0001394600000000, 0.0002984500000000 ] - [ -0.0007643700000000, 0.0010237100000000, 0.0025639600000000 ] - [ -0.0003901900000000, 0.0004817800000000, 0.0009997600000000 ] - [ 0.0003688000000000, -0.0003310000000000, 0.0007844100000000 ] - [ -0.0007837800000000, -0.0013591400000000, 0.0018599800000000 ] - [ -0.0000325100000000, -0.0013267000000000, 0.0037219700000000 ] - [ -0.0164730900000000, -0.0003725900000000, -0.0338372900000000 ] - [ 0.0207910400000000, -0.0408553500000000, -0.1243675000000000 ] - [ -0.0055069100000000, 0.0057006800000000, 0.0074518400000000 ] - [ 0.0006041200000000, -0.0006344700000000, 0.0034644100000000 ] - [ 0.0032800200000000, -0.0027730400000000, -0.0068808200000000 ] - [ -0.0002958900000000, -0.0006919800000000, -0.0000007300000000 ] - [ -0.0000432600000000, -0.0002590600000000, 0.0006919000000000 ] - [ -0.0004826700000000, -0.0001903400000000, 0.0005277600000000 ] - [ -0.0001605900000000, -0.0000315300000000, 0.0001397300000000 ] - [ 0.0001193500000000, -0.0002863200000000, 0.0010624700000000 ] - [ 0.0003292200000000, 0.0005548800000000, -0.0003229000000000 ] - [ -0.0003995000000000, 0.0015544600000000, 0.0000968800000000 ] - [ -0.0000664200000000, 0.0002729000000000, -0.0028675500000000 ] - [ 0.0002596800000000, -0.0003601800000000, -0.0048327400000000 ] - [ 0.0001826200000000, 0.0001613000000000, 0.0001117100000000 ] - [ 0.0001140400000000, 0.0002302800000000, 0.0001208300000000 ] - [ -0.0002092900000000, -0.0003532300000000, -0.0003411900000000 ] - [ -0.0001039200000000, -0.0002895300000000, -0.0001501600000000 ] - [ -0.0003351100000000, -0.0004376200000000, -0.0003202900000000 ] - [ 0.0000072200000000, 0.0000420700000000, 0.0008385100000000 ] - [ 0.0000788000000000, -0.0003698000000000, -0.0002614800000000 ] - [ -0.0001469600000000, -0.0000888700000000, 0.0002051700000000 ] - [ 0.0005575000000000, -0.0005696600000000, -0.0002383800000000 ] - [ 0.0005139600000000, -0.0001642600000000, 0.0001757900000000 ] - [ 0.0004614600000000, 0.0002928700000000, 0.0006418500000000 ] - [ 0.0001329300000000, 0.0003304700000000, -0.0006963600000000 ] - [ 0.0001797800000000, -0.0006936900000000, 0.0005275200000000 ] - [ 0.0000101200000000, 0.0000322900000000, -0.0003196700000000 ] - [ -0.0001420200000000, 0.0001011400000000, -0.0000213900000000 ] - [ -0.0000936500000000, -0.0001242800000000, 0.0000551400000000 ] - [ -0.0004945800000000, -0.0000765000000000, -0.0000374900000000 ] - [ -0.0022063200000000, -0.0037801000000000, -0.0007762500000000 ] - [ 0.0006093100000000, -0.0009275100000000, 0.0005237400000000 ] - [ 0.0010900700000000, -0.0013649900000000, -0.0003705300000000 ] - [ -0.0008775300000000, 0.0004710900000000, -0.0006003900000000 ] - [ 0.0033186200000000, -0.0028722800000000, -0.0037438200000000 ] - [ -0.0006367300000000, 0.0006851500000000, -0.0036979700000000 ] - [ 0.0000438000000000, 0.0003450800000000, 0.0006711000000000 ] - [ 0.0000938300000000, 0.0004796800000000, -0.0001841200000000 ] - [ 0.0074810500000000, 0.0334440100000000, -0.0349104900000000 ] - [ -0.0000044000000000, 0.0000782000000000, 0.0011060700000000 ] - [ 0.0003785400000000, -0.0013966000000000, 0.0006115000000000 ] - [ 0.0001089400000000, 0.0003179100000000, 0.0000261800000000 ] - [ -0.0004894000000000, 0.0017165600000000, -0.0005387400000000 ] - [ -0.0006467800000000, 0.0014561500000000, 0.0004800300000000 ] - [ 0.0005948200000000, -0.0024718600000000, 0.0015263300000000 ] - [ 0.0001249100000000, 0.0000139700000000, -0.0001017700000000 ] - [ 0.0003018100000000, -0.0002375200000000, -0.0000343900000000 ] - [ -0.0003008600000000, 0.0004959900000000, -0.0000787500000000 ] - [ 0.0000420900000000, -0.0004980100000000, -0.0000378200000000 ] - [ -0.0001630100000000, -0.0016545500000000, -0.0019999300000000 ] - [ -0.0004569600000000, 0.0009824700000000, -0.0022900100000000 ] - [ -0.0003036300000000, 0.0017737000000000, -0.0007256900000000 ] - [ 0.0003054500000000, -0.0008201800000000, -0.0017607600000000 ] - [ -0.0002339900000000, -0.0003672600000000, -0.0005156200000000 ] - [ -0.0000961100000000, 0.0005800600000000, -0.0003416100000000 ] - [ 0.0000138400000000, 0.0000683400000000, -0.0000708600000000 ] - [ -0.0001414400000000, 0.0004953400000000, 0.0010614100000000 ] - [ 0.0001467400000000, 0.0004382700000000, -0.0002603500000000 ] - [ 0.0002997200000000, 0.0009556000000000, -0.0001871800000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003588300000000, -0.0002190500000000, -0.0004689500000000 ] - [ 0.0006308400000000, -0.0007635900000000, 0.0000080100000000 ] - [ -0.0009090300000000, 0.0005689000000000, -0.0003245700000000 ] - [ 0.0000263100000000, 0.0198552000000000, 0.0063393400000000 ] - [ 0.0001739700000000, -0.0002000500000000, 0.0000920400000000 ] - [ 0.0000423200000000, -0.0001843900000000, 0.0003156700000000 ] - [ -0.0000280400000000, -0.0002357500000000, 0.0005775200000000 ] - [ 0.0000179100000000, -0.0001022700000000, 0.0005642800000000 ] - [ 0.0085752200000000, -0.0194540100000000, -0.0066680000000000 ] - [ 0.0006073200000000, 0.0005506600000000, 0.0001161000000000 ] - [ 0.0040839800000000, -0.0038160900000000, 0.0124025700000000 ] - [ -0.0000472300000000, -0.0001488200000000, 0.0000013800000000 ] - [ 0.0000469600000000, -0.0001127600000000, -0.0000075200000000 ] - [ -0.0000168500000000, -0.0001045300000000, 0.0003237400000000 ] - [ -0.0000372300000000, 0.0000495000000000, 0.0003843700000000 ] - [ 0.0003796500000000, -0.0001043500000000, -0.0004805300000000 ] - [ 0.0004232300000000, 0.0000842400000000, -0.0004772300000000 ] - [ 0.0021967200000000, -0.0002903300000000, 0.0032664100000000 ] - [ -0.0006892500000000, 0.0006237600000000, 0.0000725200000000 ] - [ -0.0003706500000000, -0.0000707100000000, -0.0005153400000000 ] - [ 0.0000472400000000, -0.0000652600000000, 0.0000389800000000 ] - [ -0.0002614600000000, 0.0001848000000000, 0.0004405200000000 ] - [ 0.0000753300000000, 0.0001341900000000, 0.0006513100000000 ] - [ -0.0011836600000000, 0.0042907700000000, 0.0016872900000000 ] - [ -0.0003628400000000, -0.0001695700000000, -0.0005074600000000 ] - [ 0.0003814000000000, 0.0004876100000000, 0.0003372600000000 ] - [ -0.0006233900000000, -0.0007852200000000, 0.0000215100000000 ] - [ -0.0018498200000000, 0.0073651200000000, -0.0164269900000000 ] - [ -0.0024672900000000, 0.0009140800000000, -0.0052200700000000 ] - [ 0.0000245100000000, -0.0050597000000000, -0.0012450900000000 ] - [ 0.0000146300000000, -0.0002159800000000, -0.0001855800000000 ] - [ 0.0003901000000000, 0.0000122100000000, -0.0003039900000000 ] - [ -0.0002798600000000, -0.0003291000000000, -0.0004265000000000 ] - [ 0.0007109100000000, -0.0012928000000000, 0.0001580500000000 ] - [ 0.0004728200000000, 0.0001518900000000, -0.0002440400000000 ] - [ 0.0007141400000000, 0.0007851700000000, -0.0000473200000000 ] - [ -0.2406593800000000, -0.0159097200000000, -0.0125711100000000 ] - [ 0.0004637900000000, -0.0002691900000000, -0.0007495200000000 ] - [ -0.0004922500000000, -0.0003056100000000, -0.0005187000000000 ] - [ 0.0001152900000000, 0.0001710000000000, -0.0010788900000000 ] - [ 0.0004683700000000, -0.0002445800000000, -0.0004967900000000 ] - [ -0.0004493400000000, -0.0000715000000000, -0.0005585200000000 ] - [ -0.0001992400000000, -0.0009040200000000, -0.0008047400000000 ] - [ 0.0002588800000000, -0.0013235500000000, -0.0014554500000000 ] - [ 0.0024211400000000, 0.0009129800000000, -0.0005720000000000 ] - [ -0.0007570600000000, -0.0011859100000000, -0.0001735300000000 ] - [ -0.0007453300000000, 0.0006565500000000, 0.0001310500000000 ] - [ -0.0003336900000000, -0.0001717400000000, -0.0003728700000000 ] - [ 0.0030444500000000, -0.0010181300000000, -0.0009007200000000 ] - [ -0.0000165100000000, -0.0049036900000000, 0.0027606500000000 ] - [ 0.0003753400000000, -0.0003365800000000, -0.0004233400000000 ] - [ 0.0010580000000000, 0.0011655900000000, -0.0005212800000000 ] - [ 0.0001905800000000, -0.0008478000000000, -0.0008091700000000 ] - [ 0.0002716300000000, -0.0003897200000000, -0.0004707300000000 ] - [ -0.0001825900000000, 0.0005082000000000, -0.0009752400000000 ] - [ -0.0001057000000000, 0.0004294600000000, -0.0008950100000000 ] - [ 0.0548320400000000, -0.0015684300000000, -0.0007740900000000 ] - [ -0.0015177600000000, -0.0012243700000000, -0.0013783300000000 ] - [ -0.0005357800000000, -0.0001164200000000, -0.0009745200000000 ] - [ 0.0005276500000000, -0.0000694100000000, -0.0005770600000000 ] - [ 0.0001608900000000, 0.0004175800000000, -0.0009057000000000 ] - [ -0.0012858900000000, -0.0010124200000000, -0.0010111500000000 ] - [ -0.0002724200000000, 0.0013274600000000, 0.0015412100000000 ] - [ -0.0043273800000000, -0.0025050000000000, 0.0063979300000000 ] - [ 0.0003257700000000, 0.0000264900000000, 0.0003141600000000 ] - [ -0.0004988200000000, -0.0004186700000000, 0.0003180300000000 ] - [ -0.0000945300000000, -0.0003402200000000, 0.0008825500000000 ] - [ -0.0005942500000000, -0.0008834500000000, 0.0003012700000000 ] - [ 0.0000755300000000, 0.0004982100000000, 0.0001264300000000 ] - [ 0.0000686700000000, -0.0002615200000000, 0.0008305700000000 ] - [ 0.0004102600000000, 0.0004392800000000, -0.0001192000000000 ] - [ -0.0004498800000000, 0.0011323400000000, 0.0003381400000000 ] - [ -0.0076924600000000, -0.0006491700000000, -0.0001303000000000 ] - [ 0.0003444500000000, -0.0001849900000000, -0.0001256300000000 ] - [ 0.0001915000000000, 0.0001310900000000, 0.0001624900000000 ] - [ 0.0001337700000000, 0.0000923500000000, 0.0001250400000000 ] - [ -0.0003128600000000, 0.0003800800000000, 0.0006966700000000 ] - [ -0.0003478400000000, 0.0000202400000000, -0.0001433700000000 ] - [ -0.0003057300000000, -0.0003172100000000, -0.0001568800000000 ] - [ -0.0000180900000000, 0.0000475600000000, 0.0009859800000000 ] - [ 0.0000522400000000, -0.0000337400000000, 0.0000587700000000 ] - [ -0.0001649600000000, 0.0000650200000000, 0.0001483000000000 ] - [ 0.0008590200000000, 0.0006442600000000, -0.0002654600000000 ] - [ 0.0005716300000000, 0.0007761000000000, 0.0002729300000000 ] - [ 0.0004530100000000, 0.0010794400000000, 0.0003543100000000 ] - [ 0.0003780800000000, 0.0003767700000000, -0.0000671500000000 ] - [ -0.0030131000000000, -0.0003758100000000, 0.0018869600000000 ] - [ -0.0000166300000000, 0.0000518200000000, -0.0001229900000000 ] - [ -0.0001338000000000, 0.0002756400000000, -0.0001376700000000 ] - [ -0.0000866200000000, -0.0002996900000000, -0.0001720100000000 ] - [ -0.0005610800000000, -0.0006052000000000, 0.0002087900000000 ] - [ 0.1006998100000000, 0.0406315200000000, 0.0565660900000000 ] - [ 0.0004814600000000, -0.0010192900000000, 0.0004365600000000 ] - [ 0.0008808500000000, -0.0004936000000000, -0.0002561700000000 ] - [ -0.0005518300000000, 0.0005670000000000, 0.0004957500000000 ] - [ 0.0686340000000000, -0.0191572300000000, -0.0469748300000000 ] - [ -0.0000834900000000, -0.0003433900000000, 0.0002552400000000 ] - [ 0.0000878600000000, 0.0004266300000000, 0.0008847300000000 ] - [ -0.0001329700000000, 0.0006304800000000, 0.0003163200000000 ] - [ 0.0105958400000000, -0.0034744200000000, 0.0052450200000000 ] - [ 0.0000139000000000, 0.0000836700000000, 0.0009223300000000 ] - [ 0.0011271100000000, 0.0022162900000000, -0.0000658600000000 ] - [ 0.0001029000000000, 0.0004814500000000, -0.0001805800000000 ] - [ -0.0007021600000000, 0.0010238600000000, -0.0000232500000000 ] - [ -0.0005727500000000, 0.0008021900000000, 0.0002808900000000 ] - [ 0.0162150700000000, -0.0011397600000000, -0.0026422400000000 ] - [ 0.0001035400000000, -0.0001292400000000, -0.0001161300000000 ] - [ 0.0003074900000000, -0.0002983200000000, -0.0001833200000000 ] - [ -0.0003545200000000, 0.0006729700000000, -0.0003008200000000 ] - [ -0.0011628400000000, -0.0008240700000000, 0.0004429500000000 ] - [ 0.0003363700000000, 0.0003643100000000, -0.0006842700000000 ] - [ 0.0049811500000000, 0.0000270100000000, -0.0015809600000000 ] - [ -0.0002858200000000, -0.0000399100000000, 0.0005973900000000 ] - [ 0.0003059400000000, -0.0001977100000000, -0.0006698800000000 ] - [ -0.0001484100000000, 0.0003333700000000, -0.0003404300000000 ] - [ -0.0001039500000000, 0.0005075700000000, -0.0001326200000000 ] - [ -0.0000291700000000, 0.0000770300000000, -0.0002161200000000 ] - [ -0.0000978200000000, 0.0004756200000000, 0.0008512100000000 ] - [ 0.0001344800000000, 0.0002993700000000, -0.0001327200000000 ] - [ 0.0002798400000000, 0.0007923200000000, 0.0002015100000000 ] - [ 0.0002630200000000, -0.0004503800000000, 0.0002912600000000 ] - [ -0.0003150000000000, -0.0004407400000000, 0.0005112500000000 ] - [ -0.0008415900000000, -0.0002028000000000, 0.0014705500000000 ] - [ -0.0003619900000000, -0.0005861200000000, 0.0007100900000000 ] - [ -0.0001529900000000, 0.0000278500000000, 0.0001184200000000 ] - [ 0.0001175300000000, -0.0004060200000000, 0.0008730700000000 ] - [ 0.0003958900000000, 0.0006032800000000, -0.0000989700000000 ] - [ -0.0002255200000000, 0.0006704900000000, 0.0007682600000000 ] - [ -0.0003081100000000, -0.0001905200000000, -0.0006400800000000 ] - [ 0.0003292700000000, -0.0001948800000000, -0.0001085300000000 ] - [ 0.0000773400000000, -0.0004107700000000, 0.0005303500000000 ] - [ 0.0008200500000000, -0.0003347400000000, 0.0004059800000000 ] - [ -0.0003112900000000, 0.0002425100000000, 0.0007404100000000 ] - [ -0.0001369900000000, -0.0000866700000000, -0.0001765900000000 ] - [ -0.0017034400000000, -0.0004014900000000, 0.0001957500000000 ] - [ 0.0000679900000000, -0.0000856100000000, 0.0007117300000000 ] - [ 0.0001090600000000, -0.0004162000000000, -0.0002110200000000 ] - [ -0.0074518700000000, 0.0005418500000000, 0.0007529200000000 ] - [ -0.0003981000000000, 0.0007638800000000, -0.0004374700000000 ] - [ 0.0021338900000000, 0.0002201100000000, -0.0022401200000000 ] - [ -0.0035404600000000, 0.0001895300000000, -0.0003456500000000 ] - [ 0.0005802500000000, 0.0002753100000000, -0.0003065900000000 ] - [ 0.0003044400000000, 0.0003352900000000, 0.0006713600000000 ] - [ -0.0001011800000000, -0.0000388000000000, -0.0000261200000000 ] - [ -0.0066530700000000, 0.0030037500000000, 0.0013615500000000 ] - [ 0.0003032900000000, 0.0019187200000000, 0.0008874500000000 ] - [ -0.0006080700000000, -0.0005428400000000, 0.0002600900000000 ] - [ 0.0001350700000000, 0.0006190000000000, 0.0003140300000000 ] - [ 0.0005563700000000, -0.0005474400000000, 0.0002295600000000 ] - [ 0.0027224100000000, -0.0023346400000000, 0.0009170700000000 ] - [ -0.0008544700000000, -0.0004490600000000, -0.0002416300000000 ] - [ -0.0003763300000000, 0.0003698100000000, -0.0000710300000000 ] - [ -0.0001529300000000, -0.0004697900000000, 0.0002746200000000 ] - [ 0.0013292700000000, 0.0007884800000000, 0.0020455700000000 ] - [ -0.0000212800000000, 0.0002811400000000, 0.0000216200000000 ] - [ -0.0002758000000000, 0.0007547500000000, 0.0001644500000000 ] - [ -0.0008356800000000, -0.0005538800000000, 0.0006544300000000 ] - [ 0.0004651300000000, -0.0008071800000000, 0.0004466300000000 ] - [ -0.0022560800000000, 0.0003447000000000, -0.0014005300000000 ] - [ -0.0008814000000000, 0.0006979600000000, -0.0002515300000000 ] - [ 0.0059302400000000, 0.0008427200000000, -0.0006748300000000 ] - [ 0.0002919500000000, -0.0000754400000000, 0.0006072300000000 ] - [ 0.0000265000000000, -0.0000244800000000, 0.0000827700000000 ] - [ -0.0061777700000000, -0.0011748600000000, -0.0008109200000000 ] - [ -0.0003068200000000, 0.0004267600000000, -0.0004691300000000 ] - [ 0.0001172300000000, -0.0004472100000000, 0.0002949000000000 ] - [ 0.0006398600000000, 0.0005250800000000, -0.0008603300000000 ] - [ -0.0003394900000000, 0.0003793000000000, -0.0005837900000000 ] - [ -0.0004690500000000, -0.0005160400000000, 0.0004701900000000 ] - [ 0.0000855400000000, -0.0002335500000000, -0.0009994600000000 ] - [ -0.0003676400000000, -0.0002344600000000, -0.0000515200000000 ] - [ -0.0001462300000000, 0.0001334100000000, 0.0002724800000000 ] - [ 0.0019290500000000, -0.0003349800000000, 0.0002075700000000 ] - [ 0.0012768400000000, -0.0001284800000000, -0.0017352600000000 ] - [ 0.0009196800000000, -0.0002648500000000, -0.0008823000000000 ] - [ 0.0004328000000000, -0.0000782800000000, 0.0006812000000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003798000000000, 0.0001128400000000, -0.0005154600000000 ] - [ 0.0006594800000000, -0.0005342900000000, 0.0000197900000000 ] - [ -0.0003850300000000, 0.0007231200000000, 0.0003505500000000 ] - [ -0.0007555600000000, -0.0196618100000000, -0.0072610700000000 ] - [ -0.0000949200000000, 0.0001746600000000, -0.0001038700000000 ] - [ -0.0000411900000000, 0.0001795000000000, 0.0002959900000000 ] - [ 0.0000269500000000, 0.0002293600000000, 0.0005300300000000 ] - [ -0.0000176500000000, 0.0000991500000000, 0.0005413700000000 ] - [ -0.0093416500000000, 0.0194433700000000, 0.0057505200000000 ] - [ 0.0006824700000000, 0.0007475300000000, -0.0000866900000000 ] - [ -0.0053727600000000, 0.0025324600000000, -0.0123433800000000 ] - [ -0.0000300900000000, 0.0001697100000000, -0.0000165500000000 ] - [ 0.0000301600000000, 0.0001342400000000, -0.0000083600000000 ] - [ 0.0000167800000000, 0.0001013500000000, 0.0002863600000000 ] - [ -0.0000384400000000, -0.0000803500000000, -0.0004050600000000 ] - [ 0.0003594000000000, 0.0002030800000000, -0.0005040600000000 ] - [ 0.0003110900000000, -0.0001777700000000, -0.0005167500000000 ] - [ -0.0008767900000000, -0.0009738300000000, -0.0032971900000000 ] - [ -0.0006025700000000, 0.0006608800000000, -0.0000470900000000 ] - [ -0.0003689700000000, 0.0001679400000000, -0.0004706800000000 ] - [ 0.0000295800000000, 0.0000439800000000, -0.0000526300000000 ] - [ 0.0002717000000000, -0.0001756300000000, 0.0001528000000000 ] - [ -0.0000787800000000, -0.0001308400000000, 0.0004415200000000 ] - [ 0.0012147600000000, -0.0043710700000000, -0.0005781100000000 ] - [ -0.0003754100000000, 0.0000633200000000, -0.0004786300000000 ] - [ 0.0009054000000000, 0.0008067800000000, -0.0003004100000000 ] - [ -0.0006669100000000, -0.0005133600000000, 0.0000068000000000 ] - [ 0.0017784100000000, -0.0073256600000000, 0.0164433800000000 ] - [ 0.0024871900000000, -0.0008587500000000, 0.0051277900000000 ] - [ -0.0000507900000000, 0.0049698100000000, 0.0018586800000000 ] - [ -0.0000946900000000, 0.0001761100000000, 0.0001694900000000 ] - [ 0.0003526400000000, 0.0000956800000000, -0.0006860100000000 ] - [ -0.0003411200000000, 0.0001969400000000, -0.0004345000000000 ] - [ 0.0007852700000000, -0.0005746200000000, -0.0000693700000000 ] - [ 0.0001459000000000, -0.0000284300000000, -0.0006113200000000 ] - [ 0.0007819600000000, 0.0010660500000000, 0.0001335300000000 ] - [ 0.2392853400000000, 0.0104353800000000, 0.0035229600000000 ] - [ 0.0001642100000000, 0.0001448400000000, -0.0001237800000000 ] - [ -0.0004647000000000, 0.0002952200000000, -0.0005908400000000 ] - [ -0.0004676700000000, 0.0010351600000000, -0.0006461500000000 ] - [ 0.0004881400000000, 0.0002364700000000, -0.0006134400000000 ] - [ -0.0005081800000000, 0.0000703500000000, -0.0005557500000000 ] - [ -0.0001543700000000, -0.0003220200000000, -0.0009215600000000 ] - [ 0.0007055700000000, 0.0012951100000000, 0.0003327500000000 ] - [ -0.0020669300000000, 0.0003223600000000, -0.0011359200000000 ] - [ -0.0007394400000000, -0.0006840200000000, 0.0002567300000000 ] - [ -0.0007512400000000, 0.0011976400000000, -0.0000413800000000 ] - [ -0.0002889400000000, 0.0002933400000000, -0.0004847200000000 ] - [ -0.0036519700000000, 0.0010203200000000, 0.0000045600000000 ] - [ 0.0015725400000000, 0.0031898800000000, -0.0026810800000000 ] - [ 0.0002476500000000, 0.0004519200000000, -0.0004339800000000 ] - [ 0.0004416500000000, 0.0006707300000000, 0.0005597900000000 ] - [ 0.0001626800000000, -0.0003756800000000, -0.0009186800000000 ] - [ 0.0003485900000000, 0.0002508000000000, -0.0003853700000000 ] - [ -0.0007656100000000, -0.0004878300000000, -0.0001636800000000 ] - [ -0.0002464400000000, 0.0007857100000000, -0.0008390100000000 ] - [ -0.0537502600000000, 0.0015627000000000, -0.0002245300000000 ] - [ 0.0005766500000000, 0.0012363800000000, 0.0002879800000000 ] - [ 0.0001786200000000, -0.0010777600000000, -0.0007766500000000 ] - [ 0.0004294800000000, 0.0000657800000000, -0.0005432000000000 ] - [ 0.0001920600000000, 0.0007883400000000, -0.0008321300000000 ] - [ -0.0002125100000000, -0.0008603300000000, 0.0010515200000000 ] - [ -0.0012327800000000, 0.0004949200000000, -0.0013639000000000 ] - [ 0.0036561600000000, 0.0026100700000000, -0.0070661900000000 ] - [ 0.0002279600000000, -0.0011550500000000, 0.0001997000000000 ] - [ -0.0000550300000000, -0.0007129400000000, 0.0002068900000000 ] - [ -0.0000783500000000, -0.0003559900000000, 0.0008745900000000 ] - [ -0.0003208400000000, -0.0009201600000000, 0.0005666700000000 ] - [ -0.0003666300000000, -0.0004309500000000, 0.0001438300000000 ] - [ 0.0001041800000000, -0.0004353300000000, 0.0009236200000000 ] - [ 0.0002130600000000, 0.0004150600000000, -0.0002552300000000 ] - [ -0.0004650200000000, 0.0006815800000000, 0.0005233100000000 ] - [ 0.0070361200000000, 0.0001009400000000, -0.0011546200000000 ] - [ 0.0003782400000000, -0.0003819100000000, -0.0000215100000000 ] - [ 0.0001062200000000, -0.0001830300000000, 0.0001104100000000 ] - [ 0.0001619500000000, -0.0000345600000000, 0.0001481200000000 ] - [ -0.0002846000000000, 0.0000266800000000, 0.0005852600000000 ] - [ 0.0000865500000000, -0.0004293500000000, -0.0001407200000000 ] - [ -0.0003176700000000, -0.0005301100000000, -0.0002174000000000 ] - [ 0.0000177400000000, -0.0000455000000000, 0.0009536000000000 ] - [ 0.0001372100000000, -0.0006606200000000, -0.0003141000000000 ] - [ -0.0001320000000000, -0.0001184200000000, 0.0001248300000000 ] - [ 0.0008827400000000, 0.0005066700000000, -0.0002438300000000 ] - [ 0.0005607400000000, 0.0005498800000000, 0.0002441200000000 ] - [ 0.0004620600000000, 0.0007325800000000, 0.0005089400000000 ] - [ 0.0003464200000000, 0.0001950900000000, -0.0000764300000000 ] - [ 0.0036031800000000, 0.0007396000000000, -0.0006236200000000 ] - [ 0.0000167700000000, -0.0000494800000000, -0.0002533200000000 ] - [ -0.0001227700000000, 0.0001406600000000, -0.0001420000000000 ] - [ -0.0001035800000000, -0.0003995000000000, -0.0000860400000000 ] - [ -0.0005708700000000, -0.0007101800000000, 0.0003102400000000 ] - [ -0.0953609900000000, -0.0369284000000000, -0.0523075800000000 ] - [ 0.0006463400000000, -0.0003122600000000, 0.0000779200000000 ] - [ 0.0008621500000000, -0.0006541000000000, -0.0002527700000000 ] - [ -0.0011903400000000, -0.0017075200000000, -0.0009951200000000 ] - [ -0.0728163500000000, 0.0211261700000000, 0.0502755200000000 ] - [ -0.0001649100000000, -0.0006880100000000, 0.0003290300000000 ] - [ 0.0000857900000000, 0.0002754400000000, 0.0008722200000000 ] - [ -0.0001162100000000, 0.0004085000000000, 0.0002715100000000 ] - [ -0.0112748100000000, 0.0046634400000000, -0.0048361900000000 ] - [ -0.0000135200000000, -0.0000819400000000, 0.0010147100000000 ] - [ -0.0001930300000000, -0.0039645800000000, 0.0009147300000000 ] - [ 0.0000879600000000, 0.0002239100000000, -0.0000782200000000 ] - [ -0.0010424600000000, 0.0001287500000000, -0.0004808000000000 ] - [ -0.0005600800000000, 0.0005253500000000, 0.0002360900000000 ] - [ -0.0155711800000000, 0.0006464400000000, 0.0039027700000000 ] - [ 0.0001532600000000, -0.0002835700000000, -0.0001623300000000 ] - [ 0.0003156900000000, -0.0005497200000000, -0.0001912700000000 ] - [ -0.0002696300000000, 0.0001825600000000, -0.0000766600000000 ] - [ 0.0014034100000000, -0.0001800200000000, 0.0001319000000000 ] - [ 0.0003072800000000, 0.0001976000000000, -0.0006108700000000 ] - [ -0.0056180800000000, 0.0005300700000000, 0.0002705100000000 ] - [ -0.0003110100000000, -0.0003571300000000, 0.0006829700000000 ] - [ 0.0003370700000000, -0.0003610800000000, -0.0006259700000000 ] - [ -0.0005561700000000, -0.0008547200000000, 0.0001838800000000 ] - [ -0.0000869400000000, 0.0001997800000000, -0.0001265400000000 ] - [ 0.0000283300000000, -0.0000755600000000, -0.0001614900000000 ] - [ -0.0000758400000000, 0.0002262400000000, 0.0009038000000000 ] - [ 0.0001224400000000, 0.0001173900000000, -0.0001478200000000 ] - [ 0.0002746200000000, 0.0003515000000000, 0.0003214800000000 ] - [ 0.0002914100000000, -0.0006853000000000, 0.0002341400000000 ] - [ -0.0002401400000000, -0.0006843600000000, 0.0000289200000000 ] - [ 0.0006680800000000, -0.0004797800000000, 0.0003070300000000 ] - [ -0.0005546200000000, -0.0012146500000000, 0.0001540600000000 ] - [ -0.0001440000000000, 0.0000258000000000, 0.0001577300000000 ] - [ 0.0000623100000000, -0.0003002900000000, 0.0008849800000000 ] - [ 0.0002276400000000, 0.0002585000000000, -0.0002718100000000 ] - [ -0.0006921200000000, 0.0011217000000000, 0.0001119200000000 ] - [ -0.0003347700000000, -0.0003668400000000, -0.0006545600000000 ] - [ 0.0003954600000000, -0.0003767000000000, -0.0000330000000000 ] - [ 0.0002208300000000, 0.0003537100000000, -0.0002565700000000 ] - [ -0.0005378400000000, 0.0004044800000000, -0.0001439700000000 ] - [ -0.0002867000000000, 0.0001623000000000, 0.0005504300000000 ] - [ -0.0001183800000000, -0.0003306900000000, -0.0000980700000000 ] - [ 0.0010750400000000, -0.0004271600000000, -0.0005388000000000 ] - [ -0.0000725300000000, 0.0000918000000000, 0.0012438200000000 ] - [ 0.0000830500000000, -0.0002814800000000, -0.0000327700000000 ] - [ 0.0070742700000000, -0.0006088400000000, -0.0004816300000000 ] - [ 0.0020830700000000, 0.0003788900000000, -0.0000905000000000 ] - [ -0.0010185700000000, 0.0010495800000000, 0.0027119900000000 ] - [ 0.0044742200000000, 0.0015260500000000, 0.0012732600000000 ] - [ 0.0001490200000000, 0.0002911800000000, 0.0001688300000000 ] - [ 0.0002930100000000, 0.0000739200000000, 0.0006147000000000 ] - [ 0.0001055700000000, 0.0000429300000000, -0.0003380200000000 ] - [ 0.0065193400000000, -0.0025606400000000, -0.0016212900000000 ] - [ -0.0004913600000000, -0.0026713300000000, -0.0012009100000000 ] - [ -0.0005234900000000, -0.0007733800000000, 0.0002547000000000 ] - [ 0.0001148600000000, 0.0004196900000000, 0.0002748300000000 ] - [ 0.0005755500000000, -0.0007746900000000, 0.0002874100000000 ] - [ -0.0009271500000000, 0.0011435800000000, -0.0014150800000000 ] - [ -0.0008886000000000, -0.0006968600000000, -0.0002678200000000 ] - [ -0.0003482400000000, 0.0002019000000000, -0.0000721900000000 ] - [ -0.0000965600000000, -0.0005693000000000, 0.0003150100000000 ] - [ -0.0011416900000000, -0.0000734700000000, -0.0002577700000000 ] - [ -0.0002282600000000, 0.0007500900000000, 0.0005690000000000 ] - [ -0.0002787100000000, 0.0003875200000000, 0.0003586200000000 ] - [ 0.0008996000000000, 0.0005292400000000, 0.0012952100000000 ] - [ 0.0004500600000000, -0.0009981000000000, 0.0004199000000000 ] - [ 0.0024382500000000, 0.0004133600000000, 0.0010667300000000 ] - [ -0.0008611200000000, 0.0004551600000000, -0.0002582500000000 ] - [ -0.0070740900000000, 0.0004862700000000, 0.0011869300000000 ] - [ 0.0003049100000000, -0.0003243500000000, 0.0006756000000000 ] - [ 0.0002353100000000, -0.0003914700000000, -0.0003737600000000 ] - [ 0.0068133200000000, 0.0003089100000000, 0.0004040100000000 ] - [ -0.0003186500000000, 0.0004182300000000, 0.0000878600000000 ] - [ 0.0001309800000000, -0.0005854500000000, 0.0002951500000000 ] - [ 0.0000083700000000, 0.0000287700000000, -0.0004340500000000 ] - [ -0.0003045600000000, 0.0001852100000000, -0.0007110700000000 ] - [ -0.0001274100000000, 0.0001005000000000, 0.0008319800000000 ] - [ 0.0005579000000000, -0.0003462200000000, -0.0002783600000000 ] - [ -0.0003556500000000, -0.0003308000000000, -0.0000881700000000 ] - [ -0.0000463800000000, 0.0005581100000000, -0.0005052000000000 ] - [ -0.0019774100000000, 0.0003329300000000, -0.0006092900000000 ] - [ -0.0014688100000000, 0.0008032300000000, 0.0035449200000000 ] - [ -0.0006766400000000, 0.0006736000000000, 0.0006328300000000 ] - [ 0.0001224600000000, 0.0011976100000000, -0.0001360400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005045300000000, 0.0020129400000000, -0.0006347500000000 ] - [ 0.0008852100000000, 0.0009620500000000, 0.0001036500000000 ] - [ -0.0006233000000000, 0.0016634800000000, 0.0014137100000000 ] - [ 0.0126975000000000, 0.0110351500000000, 0.0118688000000000 ] - [ 0.0000415200000000, 0.0023136200000000, -0.0015648800000000 ] - [ -0.0002913700000000, 0.0021554100000000, 0.0000689300000000 ] - [ 0.0003376700000000, 0.0024187300000000, 0.0003212300000000 ] - [ -0.0001628700000000, 0.0012585900000000, 0.0006757400000000 ] - [ -0.0140453000000000, 0.0076388900000000, 0.0117257600000000 ] - [ 0.0002539300000000, 0.0030002600000000, -0.0009521000000000 ] - [ -0.0024315700000000, -0.0102855100000000, 0.0018021500000000 ] - [ 0.0001097800000000, 0.0018506200000000, -0.0001106200000000 ] - [ -0.0001053000000000, 0.0017802600000000, -0.0000392500000000 ] - [ 0.0000496600000000, 0.0012660600000000, 0.0004618900000000 ] - [ 0.0000827500000000, 0.0009167700000000, 0.0014306500000000 ] - [ 0.0002006500000000, 0.0021159900000000, -0.0005623500000000 ] - [ 0.0001549100000000, -0.0012939900000000, -0.0024813800000000 ] - [ -0.0023127600000000, -0.0063543600000000, 0.0005884100000000 ] - [ -0.0004061800000000, 0.0014344800000000, 0.0009195800000000 ] - [ -0.0003694900000000, 0.0014595000000000, -0.0003339400000000 ] - [ 0.0004312500000000, 0.0022063900000000, -0.0007358100000000 ] - [ 0.0021217400000000, -0.0001828200000000, -0.0031971500000000 ] - [ -0.0008110000000000, -0.0009152300000000, -0.0019803700000000 ] - [ 0.0017199800000000, 0.0029982700000000, 0.0048376700000000 ] - [ -0.0004488400000000, 0.0013686200000000, -0.0003870200000000 ] - [ 0.0009147300000000, 0.0025529500000000, -0.0024557900000000 ] - [ -0.0009080900000000, 0.0009375200000000, -0.0000005900000000 ] - [ 0.0047020800000000, -0.0115669300000000, 0.0014331500000000 ] - [ 0.0030815000000000, -0.0070306400000000, 0.0022822100000000 ] - [ -0.0024972400000000, 0.0027358900000000, 0.0053645100000000 ] - [ -0.0005319600000000, 0.0008354700000000, 0.0010808600000000 ] - [ 0.0001906300000000, -0.0011620500000000, -0.0026098500000000 ] - [ -0.0006939500000000, 0.0036230700000000, -0.0008538700000000 ] - [ 0.0009462900000000, 0.0028448700000000, -0.0006787300000000 ] - [ 0.0009268300000000, -0.0033522900000000, 0.0041142100000000 ] - [ 0.0006320100000000, 0.0049891700000000, 0.0006833100000000 ] - [ -0.0132936700000000, -0.1831435300000000, -0.0371456900000000 ] - [ -0.0004975300000000, -0.0040706400000000, 0.0016573300000000 ] - [ -0.0005101100000000, 0.0037798100000000, -0.0012113700000000 ] - [ -0.0006092200000000, 0.0050442700000000, 0.0005339600000000 ] - [ 0.0006538100000000, 0.0030388800000000, -0.0011942100000000 ] - [ -0.0004761000000000, 0.0012473600000000, -0.0007823400000000 ] - [ 0.0001138900000000, 0.0031129400000000, -0.0016818400000000 ] - [ -0.0010560800000000, 0.0093801200000000, 0.0035296500000000 ] - [ -0.0001182100000000, 0.0046358200000000, -0.0002945700000000 ] - [ -0.0006784400000000, 0.0031920900000000, 0.0014347300000000 ] - [ -0.0008124700000000, 0.0041262000000000, -0.0009823000000000 ] - [ 0.0000189300000000, 0.0035734600000000, -0.0011592000000000 ] - [ 0.0008900100000000, -0.0040716500000000, -0.0018840300000000 ] - [ 0.0075966500000000, 0.0452706500000000, -0.0196440900000000 ] - [ -0.0004474200000000, 0.0045949200000000, -0.0000627300000000 ] - [ 0.0005265900000000, -0.0013317700000000, 0.0015954600000000 ] - [ -0.0000588100000000, 0.0024312900000000, -0.0015780300000000 ] - [ 0.0008422800000000, 0.0038224800000000, 0.0003353200000000 ] - [ 0.0001402100000000, -0.0052196400000000, -0.0008942700000000 ] - [ -0.0003555000000000, 0.0009196500000000, -0.0013818200000000 ] - [ -0.0008575100000000, -0.0253536700000000, -0.0098570800000000 ] - [ 0.0008273300000000, 0.0090919300000000, 0.0033389300000000 ] - [ -0.0006575500000000, -0.0060275000000000, -0.0013352000000000 ] - [ 0.0001315400000000, 0.0012538900000000, -0.0011206100000000 ] - [ 0.0003631900000000, 0.0021897000000000, -0.0011819900000000 ] - [ -0.0001240400000000, -0.0043429000000000, 0.0019852500000000 ] - [ -0.0012164100000000, -0.0021298500000000, -0.0017743700000000 ] - [ 0.0039715400000000, 0.0167377900000000, -0.0505045200000000 ] - [ 0.0000391900000000, -0.0039678800000000, -0.0014400700000000 ] - [ -0.0003505800000000, -0.0038361400000000, -0.0013899800000000 ] - [ -0.0001041100000000, -0.0013560700000000, 0.0002961000000000 ] - [ -0.0005584900000000, -0.0011915000000000, -0.0007215400000000 ] - [ -0.0012751100000000, -0.0030921800000000, 0.0005349000000000 ] - [ 0.0003376500000000, -0.0017173800000000, 0.0015045400000000 ] - [ 0.0002742900000000, -0.0010095100000000, -0.0005199500000000 ] - [ -0.0005535600000000, -0.0017968100000000, 0.0015309200000000 ] - [ -0.0008778200000000, 0.0010373300000000, -0.0021498000000000 ] - [ 0.0004427500000000, -0.0017560800000000, 0.0000122000000000 ] - [ -0.0002910600000000, -0.0016694400000000, -0.0001474900000000 ] - [ 0.0003427000000000, -0.0006106000000000, 0.0002513400000000 ] - [ -0.0001742200000000, -0.0021322900000000, -0.0002842300000000 ] - [ 0.0006939000000000, -0.0021751800000000, 0.0001653000000000 ] - [ -0.0003643300000000, -0.0020602400000000, -0.0004994400000000 ] - [ -0.0000357300000000, -0.0010212400000000, 0.0006770000000000 ] - [ 0.0004051500000000, -0.0033799900000000, -0.0013925300000000 ] - [ 0.0001232300000000, -0.0012158200000000, -0.0000953500000000 ] - [ 0.0009373600000000, -0.0005313600000000, -0.0000451700000000 ] - [ 0.0005015000000000, -0.0009148800000000, 0.0001009400000000 ] - [ 0.0005035000000000, -0.0013207800000000, 0.0014790600000000 ] - [ 0.0002142000000000, -0.0009369800000000, -0.0000800100000000 ] - [ -0.0000247000000000, -0.0004735200000000, 0.0004577500000000 ] - [ -0.0000205700000000, -0.0009365800000000, -0.0005261300000000 ] - [ -0.0001418100000000, -0.0007699500000000, -0.0002755400000000 ] - [ -0.0002641900000000, -0.0014986500000000, -0.0000234100000000 ] - [ -0.0003194900000000, 0.0000014800000000, -0.0004493700000000 ] - [ 0.0365849500000000, 0.0486431500000000, 0.0286568200000000 ] - [ 0.0010768800000000, -0.0024383200000000, 0.0014573800000000 ] - [ 0.0008065500000000, -0.0016464100000000, -0.0001939200000000 ] - [ -0.0006238200000000, 0.0006736400000000, -0.0010602800000000 ] - [ -0.0225680600000000, 0.0377279000000000, 0.0168835300000000 ] - [ -0.0001313000000000, -0.0022271300000000, 0.0006145300000000 ] - [ -0.0000426400000000, -0.0008926900000000, 0.0007030800000000 ] - [ -0.0000270900000000, -0.0009169000000000, 0.0000286700000000 ] - [ -0.0080998600000000, 0.0089473400000000, -0.0080211500000000 ] - [ -0.0000720300000000, -0.0009216500000000, 0.0013114800000000 ] - [ -0.0013697300000000, -0.0141183600000000, 0.0008960800000000 ] - [ -0.0000544500000000, -0.0011992800000000, 0.0003396800000000 ] - [ -0.0011995600000000, 0.0015970700000000, -0.0010344000000000 ] - [ -0.0004818500000000, -0.0009456400000000, -0.0000085000000000 ] - [ -0.0056726900000000, 0.0493000600000000, 0.0143381500000000 ] - [ 0.0001544800000000, -0.0005853100000000, -0.0000552500000000 ] - [ 0.0003704800000000, -0.0019976100000000, -0.0002766300000000 ] - [ -0.0001598100000000, -0.0013948900000000, 0.0005279500000000 ] - [ 0.0014125400000000, -0.0039177100000000, -0.0000488200000000 ] - [ 0.0001115500000000, -0.0010217500000000, -0.0002913400000000 ] - [ 0.0000595000000000, 0.0005800800000000, -0.0045771000000000 ] - [ -0.0004031700000000, -0.0023557100000000, 0.0012106000000000 ] - [ 0.0005090900000000, -0.0014550500000000, -0.0004522800000000 ] - [ -0.0012915300000000, -0.0019062900000000, -0.0010282900000000 ] - [ 0.0001078700000000, -0.0017368300000000, 0.0002536100000000 ] - [ 0.0001429200000000, -0.0008007800000000, 0.0000588200000000 ] - [ 0.0000150100000000, -0.0009617100000000, 0.0012171100000000 ] - [ 0.0000678600000000, -0.0009069200000000, -0.0002105000000000 ] - [ 0.0002171000000000, -0.0023161600000000, 0.0012458800000000 ] - [ 0.0002463000000000, -0.0018022800000000, 0.0003653000000000 ] - [ -0.0002768500000000, -0.0009342700000000, -0.0003551700000000 ] - [ 0.0000887700000000, 0.0001446000000000, -0.0009507900000000 ] - [ -0.0005602000000000, -0.0047261400000000, -0.0021256600000000 ] - [ -0.0002824900000000, -0.0007581600000000, 0.0009535000000000 ] - [ 0.0004128300000000, -0.0008398200000000, 0.0024636000000000 ] - [ 0.0002380400000000, 0.0004810800000000, -0.0004189200000000 ] - [ -0.0004481300000000, 0.0049736100000000, -0.0014654200000000 ] - [ -0.0005019300000000, -0.0013690400000000, -0.0007480800000000 ] - [ 0.0007548000000000, -0.0006794500000000, 0.0010333900000000 ] - [ 0.0009348500000000, 0.0023302700000000, 0.0015220700000000 ] - [ -0.0003641400000000, -0.0014500200000000, -0.0007996400000000 ] - [ -0.0003711100000000, 0.0013166200000000, 0.0010618200000000 ] - [ 0.0002091200000000, -0.0015089300000000, 0.0010113400000000 ] - [ 0.0000438100000000, 0.0012856700000000, -0.0007411600000000 ] - [ -0.0000709700000000, 0.0007741900000000, 0.0001946400000000 ] - [ 0.0003213800000000, 0.0003594200000000, 0.0010977100000000 ] - [ -0.0051691400000000, 0.0056216100000000, 0.0005408900000000 ] - [ 0.0097827500000000, -0.0016732500000000, 0.0049586100000000 ] - [ 0.0018927800000000, 0.0133314400000000, 0.0090648900000000 ] - [ 0.0024870600000000, 0.0098055900000000, -0.0027534100000000 ] - [ 0.0004962300000000, 0.0021552100000000, 0.0018256600000000 ] - [ 0.0002339800000000, -0.0011038100000000, 0.0005359300000000 ] - [ 0.0001717100000000, 0.0006211100000000, -0.0005708900000000 ] - [ 0.0066232900000000, 0.0054461400000000, -0.0010882900000000 ] - [ -0.0002346200000000, -0.0121616800000000, -0.0058988200000000 ] - [ -0.0006457200000000, -0.0020059200000000, 0.0001553400000000 ] - [ 0.0000482700000000, -0.0007038800000000, 0.0000572300000000 ] - [ 0.0006785300000000, -0.0023407500000000, 0.0007537900000000 ] - [ -0.0083351200000000, -0.0003965700000000, 0.0050088700000000 ] - [ -0.0010015100000000, -0.0018790200000000, -0.0004593200000000 ] - [ -0.0002360400000000, -0.0007659200000000, -0.0000764300000000 ] - [ -0.0003362800000000, -0.0007752900000000, 0.0011310300000000 ] - [ -0.0001860200000000, 0.0012620600000000, -0.0020773500000000 ] - [ -0.0004633600000000, 0.0028067400000000, 0.0024490000000000 ] - [ -0.0002566200000000, -0.0017642200000000, 0.0013828900000000 ] - [ 0.0092644200000000, -0.0043433600000000, 0.0052989300000000 ] - [ 0.0003606700000000, -0.0026084400000000, 0.0001857700000000 ] - [ 0.0020720000000000, 0.0048175300000000, -0.0012549100000000 ] - [ -0.0007675000000000, -0.0006899600000000, -0.0003347900000000 ] - [ -0.0007338100000000, 0.0037365100000000, -0.0014654900000000 ] - [ 0.0003798900000000, -0.0019160200000000, 0.0011937500000000 ] - [ 0.0014425100000000, -0.0017205800000000, -0.0019577500000000 ] - [ 0.0010807700000000, 0.0061086200000000, 0.0010359500000000 ] - [ -0.0003088800000000, -0.0026150500000000, 0.0009333200000000 ] - [ 0.0000870800000000, -0.0013025200000000, 0.0005562600000000 ] - [ 0.0004018500000000, 0.0002693400000000, 0.0022497700000000 ] - [ -0.0001136700000000, -0.0007511700000000, -0.0012702700000000 ] - [ -0.0002987000000000, 0.0017008000000000, 0.0004175800000000 ] - [ -0.0005056400000000, 0.0015881800000000, 0.0022026000000000 ] - [ -0.0003078000000000, -0.0008475400000000, 0.0000442700000000 ] - [ -0.0002076900000000, 0.0018533700000000, -0.0002823800000000 ] - [ -0.0096381400000000, -0.0033524500000000, 0.0014260700000000 ] - [ -0.0046213900000000, -0.0016026300000000, 0.0137000600000000 ] - [ -0.0011990700000000, 0.0031524200000000, 0.0019521300000000 ] - [ 0.0001372300000000, 0.0049888200000000, -0.0014623600000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002341400000000, -0.0021094600000000, -0.0003482800000000 ] - [ 0.0004058900000000, -0.0022512400000000, -0.0000782200000000 ] - [ -0.0006698900000000, -0.0003741200000000, -0.0013815000000000 ] - [ -0.0132730500000000, -0.0108513100000000, -0.0127193000000000 ] - [ 0.0000374700000000, -0.0023296000000000, 0.0015415000000000 ] - [ 0.0002902700000000, -0.0021500100000000, 0.0005401200000000 ] - [ -0.0003365000000000, -0.0024124900000000, 0.0007842600000000 ] - [ 0.0001626000000000, -0.0012584500000000, 0.0004308900000000 ] - [ 0.0131422600000000, -0.0077030300000000, -0.0125769400000000 ] - [ 0.0010370200000000, -0.0017003300000000, 0.0009789600000000 ] - [ 0.0011110800000000, 0.0089978000000000, -0.0018322800000000 ] - [ -0.0001888800000000, -0.0018212400000000, 0.0000951600000000 ] - [ 0.0001844100000000, -0.0017508500000000, 0.0000247000000000 ] - [ -0.0000495100000000, -0.0012659500000000, 0.0001490100000000 ] - [ -0.0001598500000000, -0.0009469700000000, -0.0014384500000000 ] - [ 0.0005368200000000, -0.0020138400000000, -0.0004206600000000 ] - [ 0.0005789900000000, 0.0011919600000000, 0.0014820100000000 ] - [ 0.0036022800000000, 0.0050477900000000, -0.0005626300000000 ] - [ -0.0008856100000000, -0.0001418100000000, -0.0008986300000000 ] - [ -0.0003682300000000, -0.0013577600000000, -0.0006512400000000 ] - [ -0.0003538000000000, -0.0022228200000000, 0.0007247600000000 ] - [ -0.0021122300000000, 0.0001946100000000, 0.0037922100000000 ] - [ 0.0008082300000000, 0.0009205900000000, 0.0030744500000000 ] - [ -0.0017304000000000, -0.0030101800000000, -0.0037488500000000 ] - [ -0.0002893600000000, -0.0014647500000000, -0.0005983500000000 ] - [ 0.0003768600000000, -0.0012537700000000, 0.0024692800000000 ] - [ -0.0003833600000000, -0.0022274100000000, 0.0000242900000000 ] - [ -0.0047704300000000, 0.0116172900000000, -0.0015229600000000 ] - [ -0.0030024700000000, 0.0070469300000000, -0.0022833400000000 ] - [ 0.0025162000000000, -0.0027459700000000, -0.0047757700000000 ] - [ 0.0004527700000000, -0.0008628400000000, -0.0010984800000000 ] - [ 0.0005502200000000, 0.0012576100000000, 0.0016113900000000 ] - [ 0.0000712100000000, -0.0037411500000000, -0.0000062900000000 ] - [ 0.0005491400000000, -0.0046975700000000, 0.0007614900000000 ] - [ -0.0002992800000000, 0.0034138700000000, -0.0049682300000000 ] - [ 0.0008616400000000, -0.0031230400000000, -0.0005899700000000 ] - [ 0.0130106500000000, 0.1802070400000000, 0.0338955300000000 ] - [ 0.0011225900000000, 0.0039133300000000, -0.0025316400000000 ] - [ -0.0004455000000000, -0.0037758600000000, 0.0000982500000000 ] - [ 0.0002550400000000, -0.0038188300000000, -0.0022543100000000 ] - [ 0.0003025500000000, -0.0030365500000000, 0.0000799100000000 ] - [ -0.0004807600000000, -0.0012499500000000, -0.0003372700000000 ] - [ -0.0004679200000000, -0.0043252500000000, -0.0000458100000000 ] - [ 0.0020037600000000, -0.0093378400000000, -0.0046178600000000 ] - [ 0.0004724300000000, -0.0034029800000000, -0.0014266500000000 ] - [ -0.0008146800000000, -0.0050454000000000, -0.0013381400000000 ] - [ -0.0006828700000000, -0.0022619400000000, 0.0010651600000000 ] - [ -0.0006395700000000, -0.0034371900000000, 0.0002998500000000 ] - [ -0.0014978000000000, 0.0039509200000000, 0.0010231300000000 ] - [ -0.0060477700000000, -0.0473195900000000, 0.0199944000000000 ] - [ 0.0010707600000000, -0.0044690800000000, -0.0008002000000000 ] - [ 0.0009697300000000, 0.0031917000000000, -0.0015253100000000 ] - [ 0.0004128900000000, -0.0036430800000000, -0.0001505400000000 ] - [ -0.0002200300000000, -0.0039444400000000, -0.0011944800000000 ] - [ -0.0010932100000000, 0.0052174400000000, -0.0002340100000000 ] - [ 0.0000008100000000, 0.0002890200000000, -0.0003540700000000 ] - [ 0.0017941400000000, 0.0254282700000000, 0.0088793100000000 ] - [ -0.0017867800000000, -0.0091100200000000, -0.0044588400000000 ] - [ 0.0003037800000000, 0.0048118500000000, -0.0004194500000000 ] - [ 0.0008234800000000, -0.0012436300000000, 0.0000039500000000 ] - [ -0.0000075300000000, -0.0009670300000000, -0.0005484600000000 ] - [ -0.0013735100000000, 0.0024703400000000, -0.0019182300000000 ] - [ -0.0003187900000000, 0.0040205900000000, 0.0019224300000000 ] - [ -0.0045741300000000, -0.0163425600000000, 0.0491215100000000 ] - [ 0.0005183800000000, 0.0028092200000000, 0.0019502400000000 ] - [ -0.0002037300000000, 0.0026846800000000, 0.0019081700000000 ] - [ -0.0000731800000000, 0.0006600500000000, 0.0014544400000000 ] - [ -0.0003576200000000, -0.0006013100000000, 0.0015873100000000 ] - [ 0.0009667000000000, 0.0031412400000000, -0.0002601200000000 ] - [ -0.0001589800000000, 0.0010181100000000, 0.0002508600000000 ] - [ 0.0003495900000000, 0.0018589500000000, 0.0001445300000000 ] - [ -0.0003624300000000, 0.0035943000000000, -0.0006642100000000 ] - [ 0.0002345400000000, -0.0015625000000000, 0.0008702000000000 ] - [ 0.0002780300000000, 0.0011824100000000, -0.0001590900000000 ] - [ 0.0005958300000000, 0.0016080800000000, 0.0004221900000000 ] - [ -0.0000378600000000, 0.0006713600000000, 0.0000243500000000 ] - [ -0.0004228700000000, 0.0025328400000000, 0.0015685600000000 ] - [ -0.0009432300000000, 0.0017556100000000, -0.0004462500000000 ] - [ -0.0002595600000000, 0.0012076000000000, 0.0001264300000000 ] - [ 0.0000361800000000, 0.0010196000000000, 0.0012739100000000 ] - [ -0.0002136500000000, 0.0026645400000000, 0.0011216000000000 ] - [ -0.0004280600000000, 0.0011548500000000, 0.0003702500000000 ] - [ 0.0008051600000000, 0.0016899400000000, -0.0004656500000000 ] - [ 0.0006305100000000, 0.0022342700000000, 0.0004114400000000 ] - [ 0.0004128100000000, 0.0031181800000000, -0.0006124000000000 ] - [ 0.0005045500000000, 0.0015060300000000, -0.0000638900000000 ] - [ 0.0006184100000000, 0.0008773400000000, 0.0008152400000000 ] - [ 0.0000195400000000, 0.0009351900000000, 0.0001378900000000 ] - [ -0.0001103900000000, 0.0011812300000000, -0.0000045600000000 ] - [ 0.0000734000000000, 0.0007943100000000, -0.0002388200000000 ] - [ -0.0008106700000000, -0.0013077700000000, 0.0009588500000000 ] - [ -0.0355027100000000, -0.0476640400000000, -0.0275591100000000 ] - [ 0.0000586800000000, 0.0011076600000000, -0.0009416500000000 ] - [ 0.0009359200000000, 0.0004825400000000, -0.0003169600000000 ] - [ -0.0011280800000000, -0.0018148800000000, 0.0005563700000000 ] - [ 0.0217684400000000, -0.0373664300000000, -0.0169552000000000 ] - [ -0.0001187900000000, 0.0011895400000000, -0.0000272300000000 ] - [ 0.0002199600000000, 0.0015871100000000, 0.0010486500000000 ] - [ -0.0002205700000000, 0.0019505400000000, 0.0005597200000000 ] - [ 0.0078358100000000, -0.0094881500000000, 0.0101262000000000 ] - [ 0.0000719700000000, 0.0009200300000000, 0.0006418600000000 ] - [ 0.0023015400000000, 0.0122925900000000, -0.0000382300000000 ] - [ 0.0002449900000000, 0.0019023800000000, -0.0006026900000000 ] - [ -0.0005411200000000, -0.0004216300000000, 0.0005237200000000 ] - [ -0.0006503400000000, 0.0022664500000000, 0.0005214000000000 ] - [ 0.0058501900000000, -0.0463468100000000, -0.0137523400000000 ] - [ 0.0000981000000000, 0.0001743700000000, -0.0002229500000000 ] - [ 0.0002530200000000, 0.0011440900000000, -0.0000948100000000 ] - [ -0.0004640100000000, 0.0022424500000000, -0.0008976800000000 ] - [ -0.0011616500000000, 0.0028826100000000, 0.0006332800000000 ] - [ 0.0005308700000000, 0.0015761800000000, -0.0010009600000000 ] - [ -0.0007038700000000, -0.0000040900000000, 0.0032617400000000 ] - [ -0.0001943400000000, 0.0019487500000000, 0.0000761300000000 ] - [ 0.0001340300000000, 0.0008957400000000, -0.0008403100000000 ] - [ 0.0005714400000000, 0.0013398100000000, 0.0008787300000000 ] - [ -0.0002978300000000, 0.0024389100000000, -0.0005190400000000 ] - [ -0.0001431100000000, 0.0007993400000000, -0.0004432700000000 ] - [ -0.0001924300000000, 0.0016552400000000, 0.0005373400000000 ] - [ 0.0001846600000000, 0.0013179800000000, -0.0000701500000000 ] - [ 0.0003369300000000, 0.0034547100000000, -0.0007217400000000 ] - [ 0.0003078300000000, 0.0006601900000000, 0.0001629600000000 ] - [ -0.0002779800000000, -0.0002098800000000, 0.0008827800000000 ] - [ -0.0002663000000000, -0.0008404900000000, 0.0027113100000000 ] - [ -0.0003549700000000, 0.0029301600000000, 0.0029962000000000 ] - [ -0.0000244300000000, 0.0008097200000000, -0.0006750000000000 ] - [ -0.0002241900000000, 0.0001259900000000, -0.0007073800000000 ] - [ 0.0003860400000000, 0.0003683200000000, 0.0000510800000000 ] - [ -0.0004678100000000, -0.0031689700000000, 0.0023349700000000 ] - [ -0.0001410700000000, 0.0008106800000000, -0.0005417900000000 ] - [ -0.0000339800000000, 0.0001085300000000, -0.0011694400000000 ] - [ -0.0006276700000000, -0.0023862700000000, -0.0012397200000000 ] - [ 0.0006687800000000, 0.0015118400000000, 0.0010747600000000 ] - [ -0.0002281000000000, -0.0008990000000000, 0.0002365000000000 ] - [ -0.0004594400000000, 0.0010876900000000, -0.0012864900000000 ] - [ -0.0006699700000000, -0.0021346700000000, 0.0003736400000000 ] - [ 0.0000710400000000, -0.0007731900000000, 0.0017625300000000 ] - [ -0.0001274700000000, -0.0010649700000000, -0.0013500800000000 ] - [ 0.0048799200000000, -0.0057214900000000, -0.0003197000000000 ] - [ -0.0080198700000000, 0.0028223600000000, -0.0054376400000000 ] - [ -0.0007588300000000, -0.0119285600000000, -0.0085172400000000 ] - [ -0.0015610500000000, -0.0079818200000000, 0.0036026700000000 ] - [ 0.0002252200000000, -0.0015817600000000, -0.0019532900000000 ] - [ 0.0003633000000000, 0.0015066300000000, 0.0007512900000000 ] - [ -0.0001725600000000, -0.0006201500000000, 0.0001907200000000 ] - [ -0.0069105600000000, -0.0050817600000000, 0.0007670700000000 ] - [ 0.0000453900000000, 0.0114922600000000, 0.0056062000000000 ] - [ -0.0004857500000000, 0.0006820600000000, 0.0003576100000000 ] - [ 0.0001999300000000, 0.0017381100000000, 0.0005327500000000 ] - [ 0.0004535400000000, 0.0010136100000000, -0.0002403000000000 ] - [ 0.0100056800000000, -0.0007778800000000, -0.0054673400000000 ] - [ -0.0007406800000000, 0.0007173900000000, -0.0000512500000000 ] - [ -0.0004829500000000, 0.0013355500000000, -0.0000664000000000 ] - [ 0.0000870700000000, -0.0002592500000000, -0.0005358500000000 ] - [ 0.0003646600000000, -0.0005633500000000, 0.0038379400000000 ] - [ 0.0002112600000000, -0.0017663400000000, -0.0018431800000000 ] - [ -0.0002977800000000, 0.0029038200000000, -0.0008559500000000 ] - [ -0.0092125100000000, 0.0043171700000000, -0.0033415600000000 ] - [ 0.0005551700000000, 0.0007996100000000, 0.0006759600000000 ] - [ -0.0018990500000000, -0.0041192200000000, 0.0009732700000000 ] - [ -0.0009762300000000, 0.0018506900000000, -0.0001754500000000 ] - [ -0.0004074300000000, -0.0023524600000000, 0.0020118800000000 ] - [ 0.0002175800000000, 0.0015064700000000, 0.0000950100000000 ] - [ -0.0011899900000000, 0.0013102100000000, 0.0016762600000000 ] - [ -0.0004461400000000, -0.0070076500000000, -0.0014225200000000 ] - [ -0.0003161800000000, 0.0034622200000000, -0.0013155900000000 ] - [ 0.0001606700000000, 0.0002636800000000, 0.0000360900000000 ] - [ 0.0002422600000000, 0.0002858100000000, -0.0035191000000000 ] - [ -0.0005292600000000, 0.0013072100000000, -0.0000186400000000 ] - [ -0.0002992000000000, -0.0021053400000000, 0.0008964800000000 ] - [ 0.0011409000000000, -0.0021410000000000, -0.0034807500000000 ] - [ -0.0004114100000000, 0.0002742600000000, -0.0001853700000000 ] - [ 0.0000160000000000, -0.0011547600000000, 0.0000284800000000 ] - [ 0.0096626600000000, 0.0033699000000000, -0.0018435300000000 ] - [ 0.0044262800000000, 0.0022828500000000, -0.0118994100000000 ] - [ 0.0014460500000000, -0.0027329100000000, -0.0022155100000000 ] - [ 0.0004160300000000, -0.0038429000000000, 0.0019945200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003397100000000, -0.0006133100000000, -0.0005145500000000 ] - [ 0.0006007000000000, -0.0009867000000000, -0.0000005300000000 ] - [ -0.0008460700000000, 0.0017758800000000, -0.0002601200000000 ] - [ -0.0000442100000000, 0.0115158400000000, -0.0020604900000000 ] - [ 0.0000028700000000, -0.0015024000000000, 0.0005812400000000 ] - [ 0.0001147400000000, -0.0006626200000000, 0.0002043200000000 ] - [ -0.0001247800000000, -0.0007268000000000, 0.0005198900000000 ] - [ 0.0000126000000000, -0.0001430200000000, 0.0006480900000000 ] - [ -0.0035116300000000, 0.0141216400000000, -0.0035712500000000 ] - [ 0.0008756900000000, -0.0005995700000000, 0.0004258600000000 ] - [ 0.0060432700000000, 0.0001116200000000, 0.0082647500000000 ] - [ -0.0000538700000000, -0.0004589400000000, 0.0000115400000000 ] - [ 0.0000882600000000, -0.0003331500000000, 0.0000003800000000 ] - [ -0.0000074900000000, -0.0001384000000000, 0.0004453700000000 ] - [ -0.0001584500000000, 0.0007846200000000, -0.0001912500000000 ] - [ 0.0004183900000000, -0.0005646100000000, -0.0005343100000000 ] - [ 0.0001935900000000, -0.0005257900000000, 0.0019693200000000 ] - [ 0.0051372700000000, 0.0014211400000000, 0.0053976500000000 ] - [ -0.0005392300000000, 0.0012355700000000, -0.0002522500000000 ] - [ -0.0003211100000000, -0.0001265800000000, -0.0004799600000000 ] - [ -0.0000262100000000, -0.0013940500000000, 0.0003331600000000 ] - [ -0.0009025300000000, -0.0005851600000000, 0.0031702200000000 ] - [ 0.0003353100000000, -0.0002598900000000, 0.0027920300000000 ] - [ -0.0010241900000000, 0.0052032000000000, -0.0015155700000000 ] - [ -0.0003685000000000, -0.0002580300000000, -0.0004708200000000 ] - [ 0.0002466000000000, -0.0009791900000000, 0.0010046500000000 ] - [ -0.0005754200000000, -0.0010253100000000, 0.0000104500000000 ] - [ -0.0076437400000000, -0.0014578600000000, 0.0170854400000000 ] - [ -0.0038458600000000, 0.0031199000000000, 0.0088792900000000 ] - [ 0.0004620500000000, 0.0058693500000000, -0.0029298700000000 ] - [ 0.0002581200000000, 0.0008837500000000, -0.0004822000000000 ] - [ 0.0008996700000000, -0.0004409400000000, 0.0021520400000000 ] - [ -0.0002183900000000, -0.0011052800000000, 0.0000752300000000 ] - [ 0.0005629600000000, -0.0022437200000000, 0.0007625000000000 ] - [ -0.0002541900000000, 0.0053983200000000, 0.0060987700000000 ] - [ 0.0007599600000000, 0.0006342700000000, -0.0003083700000000 ] - [ -0.0075570800000000, -0.0364992400000000, -0.2190162600000000 ] - [ 0.0004224200000000, 0.0033816800000000, 0.0037179600000000 ] - [ -0.0005202400000000, -0.0008075800000000, -0.0005716900000000 ] - [ 0.0000384100000000, -0.0007893500000000, -0.0021647500000000 ] - [ 0.0004104200000000, -0.0007165400000000, -0.0002700900000000 ] - [ -0.0001944800000000, 0.0006900900000000, 0.0008012200000000 ] - [ -0.0002373900000000, -0.0014335100000000, -0.0007974100000000 ] - [ 0.0012000900000000, -0.0041684800000000, -0.0036010900000000 ] - [ 0.0004619200000000, 0.0000381600000000, -0.0025085900000000 ] - [ -0.0009014100000000, -0.0014161400000000, -0.0009313100000000 ] - [ -0.0006988000000000, -0.0001653100000000, 0.0005499900000000 ] - [ -0.0003740300000000, -0.0009144500000000, -0.0000408800000000 ] - [ -0.0015060300000000, -0.0037795500000000, -0.0027889600000000 ] - [ -0.0025025700000000, -0.0283899800000000, 0.0110942200000000 ] - [ 0.0005413500000000, -0.0009112300000000, -0.0007230900000000 ] - [ 0.0002629000000000, 0.0038216800000000, 0.0031790800000000 ] - [ 0.0002336200000000, -0.0013272700000000, -0.0005756000000000 ] - [ 0.0002110200000000, -0.0006882600000000, -0.0009692000000000 ] - [ -0.0002846700000000, -0.0002836600000000, 0.0034419100000000 ] - [ -0.0001503400000000, 0.0011264500000000, 0.0006386900000000 ] - [ -0.0015314900000000, -0.0079710400000000, -0.0289370200000000 ] - [ -0.0021684800000000, -0.0044605900000000, -0.0038664000000000 ] - [ -0.0000794900000000, -0.0010634400000000, 0.0041349100000000 ] - [ 0.0004311000000000, 0.0001494800000000, 0.0006423400000000 ] - [ 0.0001414900000000, 0.0009193700000000, 0.0000651700000000 ] - [ 0.0000420200000000, 0.0027345200000000, 0.0043239500000000 ] - [ -0.0016510700000000, -0.0015772600000000, -0.0031360100000000 ] - [ -0.0026353900000000, -0.0242790300000000, 0.0194292300000000 ] - [ 0.0006213700000000, 0.0008706300000000, 0.0015226300000000 ] - [ -0.0003099200000000, -0.0002749900000000, 0.0006973700000000 ] - [ -0.0001208400000000, -0.0003893400000000, 0.0009942500000000 ] - [ -0.0004146300000000, -0.0021460200000000, -0.0010745600000000 ] - [ 0.0003639800000000, 0.0011009900000000, 0.0004039900000000 ] - [ -0.0000216500000000, 0.0001919100000000, 0.0006732400000000 ] - [ 0.0002726800000000, 0.0001851700000000, 0.0001922700000000 ] - [ -0.0004218300000000, 0.0015197200000000, 0.0002550800000000 ] - [ 0.0006314900000000, -0.0017748000000000, -0.0037561700000000 ] - [ 0.0004044000000000, 0.0002367800000000, 0.0002505800000000 ] - [ 0.0003012000000000, 0.0004139700000000, 0.0002660800000000 ] - [ 0.0001795000000000, -0.0000006400000000, -0.0001728900000000 ] - [ -0.0003380200000000, 0.0009423300000000, 0.0011549900000000 ] - [ -0.0005671500000000, 0.0005555500000000, 0.0003567900000000 ] - [ -0.0002990400000000, -0.0001583500000000, -0.0000734100000000 ] - [ -0.0000182600000000, 0.0000841800000000, 0.0011181300000000 ] - [ 0.0000006900000000, 0.0008803000000000, 0.0006898600000000 ] - [ -0.0001797400000000, 0.0001825700000000, 0.0001272400000000 ] - [ 0.0008798900000000, 0.0009070500000000, -0.0003822300000000 ] - [ 0.0005834000000000, 0.0010623800000000, 0.0002565600000000 ] - [ 0.0004621600000000, 0.0013856600000000, 0.0001186300000000 ] - [ 0.0004119400000000, 0.0005752600000000, -0.0000041900000000 ] - [ 0.0001182600000000, 0.0008435700000000, 0.0049655500000000 ] - [ 0.0000649700000000, 0.0000927600000000, 0.0000472300000000 ] - [ -0.0001535100000000, 0.0004040800000000, -0.0002001600000000 ] - [ -0.0000585400000000, -0.0004738000000000, -0.0006222900000000 ] - [ -0.0005486000000000, -0.0020242000000000, 0.0000180200000000 ] - [ 0.0581862000000000, 0.0306368500000000, 0.0628262300000000 ] - [ 0.0008128100000000, 0.0008861600000000, 0.0003598800000000 ] - [ 0.0008826000000000, -0.0002972900000000, -0.0003326400000000 ] - [ -0.0003534400000000, -0.0019193300000000, -0.0016348300000000 ] - [ -0.0542523700000000, 0.0180558400000000, 0.0767624400000000 ] - [ -0.0001060600000000, -0.0000483900000000, 0.0004828800000000 ] - [ 0.0000955500000000, 0.0004695500000000, 0.0008766900000000 ] - [ -0.0001643800000000, 0.0008788800000000, 0.0004074300000000 ] - [ 0.0086709300000000, -0.0201247200000000, 0.0372063100000000 ] - [ 0.0000384300000000, 0.0003237800000000, 0.0008085900000000 ] - [ 0.0014874300000000, 0.0056784000000000, 0.0001353200000000 ] - [ 0.0001025700000000, 0.0008097400000000, -0.0004237300000000 ] - [ -0.0013189200000000, -0.0006211800000000, -0.0012342700000000 ] - [ -0.0005827400000000, 0.0009909200000000, 0.0003538000000000 ] - [ -0.0012414600000000, 0.0111861500000000, 0.0136638000000000 ] - [ 0.0000670200000000, -0.0003078400000000, -0.0006158800000000 ] - [ 0.0002962600000000, 0.0000209700000000, -0.0002060600000000 ] - [ -0.0004551600000000, 0.0014152300000000, -0.0006555500000000 ] - [ -0.0000640500000000, 0.0012093200000000, 0.0007030700000000 ] - [ 0.0004001900000000, 0.0007370700000000, -0.0007979900000000 ] - [ -0.0002741000000000, -0.0028485000000000, -0.0022034300000000 ] - [ -0.0002764200000000, 0.0002053800000000, 0.0006464900000000 ] - [ 0.0002770600000000, 0.0000518900000000, -0.0006878900000000 ] - [ -0.0001370800000000, 0.0000243000000000, 0.0007265200000000 ] - [ -0.0001645200000000, 0.0006733800000000, -0.0000008000000000 ] - [ -0.0000455200000000, 0.0002853000000000, -0.0004019600000000 ] - [ -0.0001318500000000, 0.0008021100000000, 0.0008271700000000 ] - [ 0.0001058400000000, 0.0004733300000000, -0.0000314700000000 ] - [ 0.0003051300000000, 0.0012348700000000, 0.0001490700000000 ] - [ 0.0002765400000000, -0.0001602300000000, 0.0000065500000000 ] - [ -0.0002054200000000, -0.0014035100000000, -0.0006432400000000 ] - [ -0.0002265700000000, -0.0018417300000000, 0.0003984900000000 ] - [ -0.0003012100000000, 0.0001405300000000, 0.0015757800000000 ] - [ 0.0000717300000000, 0.0005317900000000, -0.0006069100000000 ] - [ -0.0003766400000000, 0.0009924000000000, -0.0004013400000000 ] - [ 0.0002255400000000, -0.0011222400000000, -0.0004956500000000 ] - [ -0.0006966500000000, 0.0010397000000000, -0.0016473500000000 ] - [ -0.0002865900000000, -0.0001055000000000, -0.0006168500000000 ] - [ -0.0000958100000000, 0.0001489500000000, -0.0012145200000000 ] - [ -0.0002140900000000, -0.0005157500000000, -0.0016200700000000 ] - [ 0.0014261000000000, -0.0005565400000000, 0.0014198900000000 ] - [ -0.0002164700000000, -0.0009557900000000, -0.0011849600000000 ] - [ -0.0004510700000000, 0.0003132900000000, -0.0011357300000000 ] - [ -0.0001341800000000, -0.0022268000000000, -0.0019496600000000 ] - [ -0.0001611200000000, -0.0008628200000000, 0.0001532100000000 ] - [ -0.0000331100000000, -0.0012456000000000, -0.0017087300000000 ] - [ -0.0056297700000000, -0.0011619200000000, 0.0047794800000000 ] - [ -0.0032566700000000, 0.0029688700000000, -0.0014114700000000 ] - [ 0.0000000100000000, 0.0029906700000000, -0.0070641600000000 ] - [ -0.0005490000000000, 0.0008690000000000, 0.0032262200000000 ] - [ 0.0000410300000000, -0.0000357100000000, -0.0032175800000000 ] - [ 0.0002938600000000, 0.0001920700000000, 0.0003469600000000 ] - [ 0.0003383300000000, -0.0007185100000000, -0.0014610900000000 ] - [ 0.0105149600000000, -0.0020974800000000, 0.0062699400000000 ] - [ -0.0000132400000000, 0.0092046300000000, 0.0069103100000000 ] - [ -0.0005844700000000, -0.0006652800000000, 0.0004538500000000 ] - [ 0.0001212300000000, 0.0007689300000000, 0.0002987200000000 ] - [ 0.0005386900000000, 0.0000025500000000, -0.0000393600000000 ] - [ 0.0059153700000000, 0.0022527700000000, -0.0014819900000000 ] - [ -0.0007942600000000, -0.0003046900000000, -0.0001477400000000 ] - [ -0.0003703700000000, 0.0005148600000000, -0.0001336500000000 ] - [ 0.0002250200000000, -0.0000368900000000, -0.0006598800000000 ] - [ -0.0004337700000000, -0.0026511900000000, -0.0015976200000000 ] - [ 0.0001376100000000, -0.0001679300000000, -0.0026553200000000 ] - [ -0.0002694200000000, 0.0011091000000000, -0.0000926100000000 ] - [ -0.0047241200000000, 0.0028188500000000, -0.0013087900000000 ] - [ 0.0005138500000000, -0.0004815900000000, 0.0002468600000000 ] - [ -0.0000905800000000, -0.0017763100000000, 0.0061642000000000 ] - [ -0.0009047100000000, 0.0008397600000000, -0.0001635100000000 ] - [ -0.0009815300000000, -0.0029675400000000, -0.0042838000000000 ] - [ 0.0002811800000000, 0.0002548800000000, 0.0003855900000000 ] - [ -0.0008493200000000, 0.0005296600000000, 0.0016963100000000 ] - [ 0.0010190300000000, 0.0012846700000000, 0.0005922200000000 ] - [ -0.0003727200000000, 0.0024395200000000, -0.0002772800000000 ] - [ 0.0001927400000000, -0.0004824600000000, 0.0000101000000000 ] - [ 0.0007518300000000, 0.0029955300000000, -0.0033871900000000 ] - [ -0.0003504300000000, 0.0003549700000000, -0.0003491400000000 ] - [ -0.0000983700000000, 0.0004775200000000, -0.0028369800000000 ] - [ 0.0004188900000000, 0.0002060000000000, -0.0023397200000000 ] - [ -0.0004095300000000, -0.0004056100000000, -0.0004568300000000 ] - [ 0.0000724100000000, 0.0009294300000000, -0.0023817600000000 ] - [ 0.0071436300000000, 0.0031043000000000, 0.0002875700000000 ] - [ 0.0004116900000000, 0.0029219900000000, -0.0042686100000000 ] - [ 0.0005672600000000, -0.0005785300000000, -0.0023313800000000 ] - [ 0.0002888400000000, 0.0000927400000000, -0.0015625200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003982500000000, 0.0005084200000000, -0.0004695900000000 ] - [ 0.0006897600000000, -0.0003111500000000, 0.0000243300000000 ] - [ -0.0004476500000000, -0.0004893500000000, 0.0002737400000000 ] - [ -0.0006876900000000, -0.0114513000000000, 0.0010256000000000 ] - [ 0.0000773700000000, 0.0014781000000000, -0.0005857800000000 ] - [ -0.0001133000000000, 0.0006546600000000, 0.0004092000000000 ] - [ 0.0001232300000000, 0.0007164800000000, 0.0005896600000000 ] - [ -0.0000124600000000, 0.0001396600000000, 0.0004560200000000 ] - [ 0.0027698600000000, -0.0142316900000000, 0.0025479100000000 ] - [ 0.0004172100000000, 0.0018899900000000, -0.0004003700000000 ] - [ -0.0072485000000000, -0.0013699800000000, -0.0082016500000000 ] - [ -0.0000258100000000, 0.0004796200000000, -0.0000249900000000 ] - [ -0.0000088900000000, 0.0003532500000000, -0.0000163300000000 ] - [ 0.0000078800000000, 0.0001346500000000, 0.0001621900000000 ] - [ 0.0000796400000000, -0.0008161400000000, 0.0001623900000000 ] - [ 0.0003197100000000, 0.0006577800000000, -0.0004500800000000 ] - [ 0.0005535200000000, 0.0004445200000000, -0.0029621000000000 ] - [ -0.0039144900000000, -0.0027324200000000, -0.0054222900000000 ] - [ -0.0007547400000000, 0.0000483300000000, 0.0002774000000000 ] - [ -0.0004176000000000, 0.0002192800000000, -0.0005046300000000 ] - [ 0.0001030600000000, 0.0013658300000000, -0.0003474100000000 ] - [ 0.0009063600000000, 0.0005848700000000, -0.0025647300000000 ] - [ -0.0003364800000000, 0.0002554800000000, -0.0016906800000000 ] - [ 0.0010361900000000, -0.0052182100000000, 0.0026365900000000 ] - [ -0.0003691800000000, 0.0001531000000000, -0.0005136700000000 ] - [ 0.0010444200000000, 0.0022781800000000, -0.0009611200000000 ] - [ -0.0007151400000000, -0.0002723400000000, 0.0000153500000000 ] - [ 0.0074304700000000, 0.0014852700000000, -0.0169463100000000 ] - [ 0.0039955200000000, -0.0031204400000000, -0.0089934300000000 ] - [ -0.0004632600000000, -0.0058987900000000, 0.0035551300000000 ] - [ -0.0003363400000000, -0.0009210200000000, 0.0004671500000000 ] - [ -0.0001716500000000, 0.0005613300000000, -0.0031465900000000 ] - [ -0.0004018900000000, 0.0009672700000000, -0.0009378800000000 ] - [ 0.0009316100000000, 0.0003769400000000, -0.0006720300000000 ] - [ 0.0008577800000000, -0.0051758900000000, -0.0069766400000000 ] - [ 0.0007352200000000, 0.0012045400000000, 0.0003909600000000 ] - [ 0.0085143900000000, 0.0345892400000000, 0.2133816000000000 ] - [ 0.0002006200000000, -0.0034891000000000, -0.0046188200000000 ] - [ -0.0004359000000000, 0.0007906900000000, -0.0005380900000000 ] - [ -0.0003914900000000, 0.0019988100000000, 0.0004399000000000 ] - [ 0.0005449500000000, 0.0007052700000000, -0.0008417300000000 ] - [ -0.0007630800000000, -0.0006874600000000, -0.0019187700000000 ] - [ -0.0001180600000000, 0.0002026800000000, -0.0009254100000000 ] - [ -0.0002352900000000, 0.0041300700000000, 0.0024765300000000 ] - [ -0.0001044200000000, 0.0011704100000000, 0.0007933600000000 ] - [ -0.0005929900000000, -0.0004600900000000, 0.0010127500000000 ] - [ -0.0007954400000000, 0.0020208000000000, -0.0004565400000000 ] - [ -0.0002491700000000, 0.0010303300000000, -0.0008189600000000 ] - [ 0.0009125400000000, 0.0037236100000000, 0.0019741300000000 ] - [ 0.0040005000000000, 0.0262977400000000, -0.0108501600000000 ] - [ 0.0000829100000000, 0.0010217500000000, -0.0001352800000000 ] - [ 0.0012363400000000, -0.0019840700000000, -0.0031122800000000 ] - [ 0.0001215800000000, 0.0001003900000000, -0.0011493000000000 ] - [ 0.0004086900000000, 0.0005463100000000, 0.0001112000000000 ] - [ -0.0006714900000000, 0.0003004800000000, -0.0045665000000000 ] - [ -0.0002036600000000, 0.0000989900000000, -0.0023712200000000 ] - [ 0.0025215000000000, 0.0081191300000000, 0.0280193100000000 ] - [ 0.0012092500000000, 0.0044427000000000, 0.0027499200000000 ] - [ -0.0002746000000000, -0.0001475700000000, -0.0058839300000000 ] - [ 0.0005249700000000, -0.0001590100000000, -0.0017612500000000 ] - [ 0.0002125200000000, 0.0002856400000000, -0.0017979800000000 ] - [ -0.0015469200000000, -0.0046240400000000, -0.0042762400000000 ] - [ 0.0001406400000000, 0.0034094700000000, 0.0032527600000000 ] - [ 0.0020133800000000, 0.0247833500000000, -0.0200378400000000 ] - [ -0.0000663600000000, -0.0020132600000000, -0.0010019400000000 ] - [ -0.0002438700000000, -0.0008482000000000, -0.0001631600000000 ] - [ -0.0000565600000000, -0.0003023100000000, 0.0007632200000000 ] - [ -0.0005017700000000, 0.0003440500000000, 0.0019518600000000 ] - [ -0.0006626500000000, -0.0010242300000000, -0.0001340900000000 ] - [ 0.0001977500000000, -0.0008848900000000, 0.0010734700000000 ] - [ 0.0003510800000000, 0.0006721700000000, -0.0005631400000000 ] - [ -0.0004936300000000, 0.0002924500000000, 0.0006043900000000 ] - [ -0.0012708900000000, 0.0012215300000000, 0.0025152100000000 ] - [ 0.0003152600000000, -0.0008051700000000, -0.0003956700000000 ] - [ 0.0000057300000000, -0.0004670700000000, 0.0000095500000000 ] - [ 0.0001247000000000, 0.0000599400000000, 0.0004501100000000 ] - [ -0.0002597200000000, -0.0005321200000000, 0.0001311500000000 ] - [ 0.0003089600000000, -0.0009599800000000, -0.0006449600000000 ] - [ -0.0003242700000000, -0.0006861900000000, -0.0002972600000000 ] - [ 0.0000189400000000, -0.0000799800000000, 0.0008356800000000 ] - [ 0.0001883800000000, -0.0015735700000000, -0.0009499900000000 ] - [ -0.0001259600000000, -0.0002382200000000, 0.0001490700000000 ] - [ 0.0008623900000000, 0.0002565700000000, -0.0001283300000000 ] - [ 0.0005489000000000, 0.0002658000000000, 0.0002578100000000 ] - [ 0.0004536400000000, 0.0004236200000000, 0.0007437600000000 ] - [ 0.0003078600000000, 0.0000000900000000, -0.0001391400000000 ] - [ 0.0004799700000000, -0.0004465000000000, -0.0037191400000000 ] - [ -0.0000662000000000, -0.0000883900000000, -0.0004305500000000 ] - [ -0.0000983500000000, 0.0000119800000000, -0.0000784100000000 ] - [ -0.0001314400000000, -0.0002273800000000, 0.0003587100000000 ] - [ -0.0005848100000000, 0.0007009400000000, 0.0005038100000000 ] - [ -0.0558585800000000, -0.0286354000000000, -0.0614909800000000 ] - [ 0.0003119300000000, -0.0022160300000000, 0.0001415900000000 ] - [ 0.0008602600000000, -0.0008596300000000, -0.0001772900000000 ] - [ -0.0013734200000000, 0.0007469600000000, 0.0011365300000000 ] - [ 0.0506303000000000, -0.0164585300000000, -0.0749877300000000 ] - [ -0.0001427900000000, -0.0009838300000000, 0.0001046700000000 ] - [ 0.0000822700000000, 0.0002312600000000, 0.0008778600000000 ] - [ -0.0000841200000000, 0.0001622400000000, 0.0001828000000000 ] - [ -0.0089351100000000, 0.0197213600000000, -0.0355335200000000 ] - [ -0.0000379100000000, -0.0003223100000000, 0.0011399900000000 ] - [ -0.0005461000000000, -0.0073989400000000, 0.0006960800000000 ] - [ 0.0000885300000000, -0.0001018100000000, 0.0001598100000000 ] - [ -0.0004298400000000, 0.0017714100000000, 0.0007346400000000 ] - [ -0.0005498100000000, 0.0003379000000000, 0.0001599300000000 ] - [ 0.0018087600000000, -0.0114910200000000, -0.0126907300000000 ] - [ 0.0001858600000000, -0.0001055000000000, 0.0003395700000000 ] - [ 0.0003267100000000, -0.0008683000000000, -0.0001659800000000 ] - [ -0.0001687600000000, -0.0005617600000000, 0.0002802600000000 ] - [ 0.0002999200000000, -0.0021992500000000, -0.0001197300000000 ] - [ 0.0002430700000000, -0.0001769000000000, -0.0004916700000000 ] - [ -0.0003715500000000, 0.0033929600000000, 0.0009557300000000 ] - [ -0.0003207700000000, -0.0006031800000000, 0.0006365200000000 ] - [ 0.0003649200000000, -0.0006048800000000, -0.0006024000000000 ] - [ -0.0005729600000000, -0.0005677500000000, -0.0008683000000000 ] - [ -0.0000266300000000, 0.0000412900000000, -0.0002658900000000 ] - [ 0.0000443300000000, -0.0002841500000000, 0.0000162100000000 ] - [ -0.0000452700000000, -0.0001034000000000, 0.0009217500000000 ] - [ 0.0001476000000000, -0.0000567600000000, -0.0002497600000000 ] - [ 0.0002495900000000, -0.0000818200000000, 0.0003718000000000 ] - [ 0.0002783700000000, -0.0009851900000000, 0.0005147600000000 ] - [ -0.0003494600000000, 0.0002722700000000, 0.0011766100000000 ] - [ 0.0000474800000000, 0.0011552800000000, 0.0013590800000000 ] - [ -0.0006147700000000, -0.0019314600000000, -0.0007060700000000 ] - [ -0.0003761100000000, -0.0004705900000000, 0.0008828300000000 ] - [ 0.0005620700000000, -0.0016901500000000, 0.0021585100000000 ] - [ 0.0003998200000000, 0.0019862400000000, 0.0001269400000000 ] - [ -0.0002253500000000, 0.0007362900000000, 0.0025263700000000 ] - [ -0.0003552400000000, -0.0004470200000000, -0.0006736800000000 ] - [ 0.0008167500000000, -0.0007261900000000, 0.0010724900000000 ] - [ 0.0005168300000000, 0.0004574400000000, 0.0018906400000000 ] - [ -0.0011236900000000, 0.0006196600000000, -0.0011483000000000 ] - [ -0.0003795400000000, 0.0013548700000000, 0.0024795300000000 ] - [ 0.0002000200000000, -0.0007258400000000, 0.0008583800000000 ] - [ -0.0004939600000000, 0.0013804100000000, 0.0015880400000000 ] - [ 0.0001645300000000, 0.0008695400000000, 0.0018034200000000 ] - [ 0.0002247100000000, 0.0005489400000000, 0.0014544800000000 ] - [ 0.0053995800000000, 0.0010890100000000, -0.0045917100000000 ] - [ 0.0049685500000000, -0.0018246000000000, 0.0008578600000000 ] - [ 0.0011237400000000, -0.0017921800000000, 0.0076233400000000 ] - [ 0.0014679900000000, 0.0009000600000000, -0.0023785400000000 ] - [ 0.0006743900000000, 0.0006012000000000, 0.0030954500000000 ] - [ 0.0003040200000000, 0.0002204100000000, 0.0009421100000000 ] - [ -0.0003425000000000, 0.0007244100000000, 0.0010846400000000 ] - [ -0.0108901400000000, 0.0024976400000000, -0.0066661600000000 ] - [ -0.0001677900000000, -0.0098787700000000, -0.0071960600000000 ] - [ -0.0005471200000000, -0.0006511500000000, 0.0000578800000000 ] - [ 0.0001276400000000, 0.0002712000000000, 0.0002921300000000 ] - [ 0.0005929900000000, -0.0013214300000000, 0.0005525400000000 ] - [ -0.0041856800000000, -0.0034593700000000, 0.0009449400000000 ] - [ -0.0009483500000000, -0.0008506100000000, -0.0003628800000000 ] - [ -0.0003490800000000, 0.0000597100000000, -0.0000097500000000 ] - [ -0.0004753700000000, -0.0010072500000000, 0.0012522500000000 ] - [ 0.0006150600000000, 0.0033756400000000, 0.0033750800000000 ] - [ -0.0003848300000000, 0.0011969100000000, 0.0032664500000000 ] - [ -0.0002853600000000, 0.0000400000000000, 0.0006136800000000 ] - [ 0.0047890500000000, -0.0028273300000000, 0.0032725900000000 ] - [ 0.0004020200000000, -0.0013142900000000, 0.0006210200000000 ] - [ 0.0002697400000000, 0.0024895500000000, -0.0064622300000000 ] - [ -0.0008384400000000, 0.0003255400000000, -0.0003474400000000 ] - [ -0.0001540800000000, 0.0042444800000000, 0.0047593200000000 ] - [ 0.0003159700000000, -0.0006548300000000, 0.0008996400000000 ] - [ 0.0011018500000000, -0.0009381200000000, -0.0019800300000000 ] - [ -0.0003920500000000, -0.0021405600000000, -0.0009652700000000 ] - [ -0.0002520600000000, -0.0015758500000000, -0.0000987600000000 ] - [ 0.0000550700000000, -0.0005491700000000, 0.0005804500000000 ] - [ -0.0001183700000000, -0.0024902400000000, 0.0021012100000000 ] - [ -0.0002931300000000, 0.0002065500000000, -0.0009405000000000 ] - [ -0.0004971700000000, -0.0009060100000000, 0.0041333700000000 ] - [ 0.0002288800000000, -0.0007850900000000, 0.0010389100000000 ] - [ -0.0003090300000000, -0.0001613700000000, 0.0003149900000000 ] - [ -0.0002641700000000, -0.0002296900000000, 0.0021269800000000 ] - [ -0.0071395300000000, -0.0030894700000000, -0.0006814800000000 ] - [ -0.0006138900000000, -0.0022031300000000, 0.0060721800000000 ] - [ -0.0003177200000000, 0.0009912700000000, 0.0020647800000000 ] - [ 0.0002651200000000, 0.0010511800000000, 0.0021027400000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002864700000000, -0.0042409600000000, -0.0030949500000000 ] - [ -0.0003059900000000, -0.0010026300000000, 0.0050725400000000 ] - [ -0.0005093800000000, 0.0003023300000000, 0.0001050200000000 ] - [ -0.0004033600000000, -0.0000614200000000, -0.0005546800000000 ] - [ 0.0000355900000000, -0.0003224300000000, 0.0000148900000000 ] - [ 0.0041369500000000, -0.0192714500000000, -0.0038393900000000 ] - [ 0.0062374500000000, 0.0204595100000000, 0.0032338900000000 ] - [ 0.0000202100000000, -0.0000981700000000, 0.0007999700000000 ] - [ -0.0003400300000000, -0.0001625000000000, -0.0005256900000000 ] - [ 0.0007986800000000, 0.0008222900000000, -0.0001797300000000 ] - [ -0.0006384200000000, -0.0007320400000000, -0.0000120700000000 ] - [ 0.0078985800000000, 0.0021728800000000, -0.0149141900000000 ] - [ 0.0008260800000000, 0.0011029400000000, -0.0036271300000000 ] - [ -0.0000041400000000, -0.0001113000000000, 0.0003865000000000 ] - [ -0.0001642700000000, -0.0001749000000000, 0.0000253400000000 ] - [ -0.0000372700000000, 0.0060850900000000, 0.0013100300000000 ] - [ 0.0003516900000000, -0.0001489100000000, -0.0004108200000000 ] - [ 0.0006353900000000, -0.0007012600000000, 0.0000279900000000 ] - [ -0.0006704500000000, 0.0005474800000000, -0.0000031600000000 ] - [ 0.0001830800000000, 0.0000426100000000, 0.0002446500000000 ] - [ 0.0000394600000000, 0.0001372400000000, -0.0000466600000000 ] - [ -0.0000124000000000, -0.0000448200000000, 0.0003013400000000 ] - [ 0.0000004600000000, -0.0000418900000000, 0.0005480900000000 ] - [ 0.0000055700000000, -0.0000945000000000, 0.0005470000000000 ] - [ -0.0012212200000000, 0.0002018900000000, 0.0000606000000000 ] - [ 0.0006966200000000, 0.0009421200000000, 0.0010011100000000 ] - [ -0.0001149500000000, -0.0034546300000000, 0.0130238700000000 ] - [ -0.0000502800000000, -0.0000743800000000, -0.0000281800000000 ] - [ 0.0000435200000000, -0.0000469000000000, 0.0000194200000000 ] - [ 0.0000034400000000, -0.0001064200000000, 0.0003042700000000 ] - [ -0.0000714600000000, -0.0003844600000000, 0.0000991400000000 ] - [ 0.0004034500000000, -0.0000539700000000, -0.0004213400000000 ] - [ -0.0004445900000000, 0.0007171600000000, 0.0001507800000000 ] - [ 0.0028689200000000, -0.0025581500000000, -0.0027163500000000 ] - [ 0.0003393500000000, -0.0002139500000000, -0.0004135900000000 ] - [ -0.0050509600000000, -0.0005930400000000, 0.0069645300000000 ] - [ 0.0001636900000000, -0.0006356300000000, -0.0009067300000000 ] - [ 0.0002690400000000, -0.0003926000000000, -0.0004536300000000 ] - [ -0.2544695900000000, 0.0062716200000000, 0.0222381200000000 ] - [ -0.0003985100000000, -0.0009235100000000, -0.0015900200000000 ] - [ 0.0003025100000000, 0.0002840000000000, -0.0002059100000000 ] - [ -0.0004365100000000, -0.0000400400000000, -0.0004620300000000 ] - [ 0.0541732400000000, 0.0007120600000000, 0.0011051600000000 ] - [ 0.0047803700000000, -0.0000589300000000, -0.0030482100000000 ] - [ -0.0008678000000000, -0.0006835400000000, -0.0025453300000000 ] - [ 0.0032135700000000, -0.0024400600000000, 0.0002457100000000 ] - [ -0.0018416900000000, 0.0017198500000000, 0.0003134300000000 ] - [ -0.0003515100000000, 0.0007184600000000, 0.0001726200000000 ] - [ -0.0002870700000000, -0.0000600500000000, -0.0005921100000000 ] - [ 0.0007709300000000, -0.0010076900000000, -0.0000344200000000 ] - [ 0.0032119000000000, 0.0001606300000000, -0.0016969800000000 ] - [ 0.0007411200000000, 0.0007298400000000, 0.0001050300000000 ] - [ 0.0004686000000000, -0.0000072500000000, -0.0006554000000000 ] - [ -0.0066934500000000, -0.0099259600000000, 0.0022426700000000 ] - [ -0.0004587900000000, -0.0001766700000000, -0.0004899000000000 ] - [ -0.0001287000000000, 0.0002660300000000, -0.0008143100000000 ] - [ 0.0004705000000000, -0.0001518100000000, -0.0005488400000000 ] - [ -0.0002403800000000, -0.0000382200000000, -0.0007045900000000 ] - [ -0.0001874800000000, -0.0007803300000000, -0.0007967300000000 ] - [ 0.0003909000000000, 0.0001621000000000, -0.0003149300000000 ] - [ 0.0002077500000000, 0.0006098800000000, -0.0005735500000000 ] - [ -0.0007229400000000, -0.0011268200000000, 0.0001543300000000 ] - [ -0.0007866100000000, 0.0006606900000000, -0.0000449400000000 ] - [ -0.0002521700000000, 0.0003623900000000, -0.0001136900000000 ] - [ 0.0003113300000000, -0.0002038400000000, 0.0006027200000000 ] - [ -0.0000438800000000, 0.0031561000000000, 0.0003136200000000 ] - [ 0.0002732300000000, -0.0004064700000000, 0.0010867400000000 ] - [ -0.0004724500000000, -0.0007428700000000, 0.0004652300000000 ] - [ -0.0031078400000000, -0.0037319600000000, 0.0016491700000000 ] - [ 0.0029580200000000, 0.0001504200000000, 0.0020294300000000 ] - [ -0.0000446600000000, 0.0007949200000000, -0.0003324300000000 ] - [ 0.0142890800000000, 0.0001541700000000, 0.0047130500000000 ] - [ -0.0003075200000000, -0.0001911800000000, -0.0006086600000000 ] - [ 0.0007129000000000, 0.0001018200000000, 0.0003969200000000 ] - [ 0.0739618400000000, 0.0332215600000000, 0.0457710700000000 ] - [ 0.0000748300000000, 0.0001215400000000, 0.0000316100000000 ] - [ 0.0011943700000000, 0.0034926400000000, 0.0032538400000000 ] - [ -0.0007581200000000, -0.0006645300000000, -0.0003363200000000 ] - [ 0.0025848000000000, -0.0021353500000000, -0.0012673900000000 ] - [ -0.0006913100000000, 0.0003979000000000, 0.0003296600000000 ] - [ -0.0023859900000000, 0.0013554400000000, 0.0002737400000000 ] - [ -0.0000948400000000, -0.0000817000000000, -0.0000269500000000 ] - [ 0.0009196500000000, 0.0004587600000000, -0.0003261500000000 ] - [ -0.0008585700000000, 0.0003579600000000, -0.0003131600000000 ] - [ 0.0005133400000000, 0.0006124500000000, 0.0002773900000000 ] - [ -0.0069175100000000, 0.0007972200000000, -0.0000018200000000 ] - [ 0.0003228800000000, 0.0004830000000000, 0.0008142600000000 ] - [ 0.0024379700000000, -0.0013757900000000, 0.0021002300000000 ] - [ -0.0003152600000000, 0.0000758600000000, -0.0005981500000000 ] - [ -0.0001938600000000, -0.0004928700000000, -0.0005074100000000 ] - [ -0.0005326400000000, -0.0004641900000000, 0.0002138900000000 ] - [ 0.0001535800000000, 0.0005755800000000, 0.0003370100000000 ] - [ 0.0007819000000000, -0.0007720300000000, 0.0002926300000000 ] - [ 0.0006688400000000, -0.0005811200000000, -0.0002659100000000 ] - [ -0.0008896600000000, -0.0004938400000000, -0.0002499100000000 ] - [ -0.0003911300000000, 0.0003241900000000, -0.0000227300000000 ] - [ -0.0002084900000000, -0.0004290800000000, 0.0006153300000000 ] - [ -0.0005346900000000, 0.0003475300000000, 0.0005065200000000 ] - [ -0.0058087600000000, -0.0016924500000000, -0.0019354700000000 ] - [ -0.0002769000000000, 0.0006579800000000, 0.0002523200000000 ] - [ -0.0006211700000000, -0.0002629300000000, -0.0013571800000000 ] - [ 0.0000896400000000, -0.0015408500000000, 0.0002506700000000 ] - [ 0.0001951600000000, 0.0005718900000000, 0.0001295200000000 ] - [ -0.0008453000000000, 0.0006722700000000, -0.0002601200000000 ] - [ -0.0058857700000000, 0.0008523300000000, 0.0005476100000000 ] - [ 0.0002789900000000, -0.0003642800000000, 0.0007896500000000 ] - [ 0.0001686200000000, -0.0001336700000000, -0.0002507800000000 ] - [ 0.0069890800000000, -0.0008854600000000, -0.0002804400000000 ] - [ -0.0006563700000000, 0.0014937900000000, -0.0001941100000000 ] - [ -0.0003155700000000, -0.0002454000000000, 0.0005784500000000 ] - [ -0.0013434400000000, -0.0001248400000000, -0.0012529500000000 ] - [ -0.0003369700000000, 0.0003622900000000, -0.0006150200000000 ] - [ -0.0028493900000000, -0.0012504400000000, 0.0023728000000000 ] - [ 0.0017986200000000, -0.0006629600000000, -0.0008493500000000 ] - [ -0.0001721200000000, -0.0000845900000000, 0.0002218800000000 ] - [ 0.0167549900000000, -0.0037531500000000, -0.0044929400000000 ] - [ 0.0007033400000000, -0.0001072500000000, -0.0002519300000000 ] - [ -0.0063470100000000, 0.0038669300000000, 0.0047318900000000 ] - [ 0.1018335700000000, -0.0263519200000000, -0.0730361400000000 ] - [ -0.0036389500000000, 0.0012219700000000, -0.0010530600000000 ] - [ 0.0004365600000000, -0.0002382000000000, 0.0006719500000000 ] - [ -0.0002771700000000, -0.0004618200000000, 0.0002584800000000 ] - [ -0.0000810900000000, -0.0002821100000000, 0.0008526000000000 ] - [ -0.0008594000000000, -0.0011129400000000, 0.0006434500000000 ] - [ -0.0001689400000000, 0.0000246100000000, 0.0000858900000000 ] - [ 0.0001215100000000, -0.0003346500000000, 0.0009657500000000 ] - [ 0.0003007600000000, 0.0005433900000000, -0.0002442400000000 ] - [ -0.0004518000000000, 0.0010484700000000, 0.0003745700000000 ] - [ 0.0005279500000000, 0.0006539800000000, -0.0049724800000000 ] - [ 0.0003415900000000, -0.0002003500000000, -0.0001345000000000 ] - [ 0.0001626500000000, 0.0000273900000000, 0.0001426600000000 ] - [ 0.0001786400000000, 0.0000842500000000, 0.0001532100000000 ] - [ -0.0003063300000000, 0.0003748400000000, 0.0006370400000000 ] - [ -0.0000882100000000, -0.0002179000000000, -0.0002141300000000 ] - [ -0.0003093800000000, -0.0003547100000000, -0.0001906600000000 ] - [ 0.0000028900000000, 0.0000522800000000, 0.0009551100000000 ] - [ 0.0000956600000000, -0.0003843400000000, -0.0001930800000000 ] - [ -0.0001695300000000, 0.0000326800000000, 0.0001525800000000 ] - [ 0.0007426000000000, 0.0005706500000000, -0.0002678600000000 ] - [ 0.0005649700000000, 0.0006902600000000, 0.0002502100000000 ] - [ 0.0004511600000000, 0.0010025400000000, 0.0004107000000000 ] - [ 0.0003543000000000, 0.0003271700000000, -0.0001032200000000 ] - [ 0.0002745900000000, -0.0000467900000000, 0.0002373500000000 ] - [ -0.0000159900000000, 0.0000464200000000, -0.0002209600000000 ] - [ -0.0001255100000000, 0.0002458800000000, -0.0001308300000000 ] - [ -0.0001047800000000, -0.0002916400000000, -0.0000547000000000 ] - [ -0.0002508800000000, -0.0004999800000000, 0.0003247000000000 ] - [ -0.0000555900000000, -0.0001803100000000, 0.0001789800000000 ] - [ 0.0005504800000000, -0.0009061800000000, 0.0002221100000000 ] - [ 0.0009295300000000, -0.0005730200000000, -0.0002748700000000 ] - [ 0.0020431800000000, -0.0029526500000000, 0.0004682400000000 ] - [ -0.0006584300000000, 0.0006047700000000, -0.0013760900000000 ] - [ -0.0000954000000000, -0.0003695500000000, 0.0002308700000000 ] - [ 0.0000916400000000, 0.0004106400000000, 0.0008579100000000 ] - [ -0.0001241600000000, 0.0005703400000000, 0.0002816200000000 ] - [ -0.0007495500000000, -0.0003731200000000, 0.0011868400000000 ] - [ -0.0000433100000000, 0.0000414000000000, 0.0010063100000000 ] - [ 0.0004799400000000, -0.0012475300000000, 0.0001303800000000 ] - [ 0.0001054200000000, 0.0004490300000000, -0.0001472600000000 ] - [ -0.0032462800000000, 0.0015282700000000, -0.0006786300000000 ] - [ -0.0005702100000000, 0.0007636300000000, 0.0002745400000000 ] - [ 0.0002980600000000, -0.0005227600000000, 0.0004139800000000 ] - [ 0.0000143000000000, -0.0001116300000000, -0.0000789200000000 ] - [ 0.0003077000000000, -0.0003586500000000, -0.0001627600000000 ] - [ -0.0003009100000000, 0.0004067100000000, -0.0001507400000000 ] - [ 0.0001430500000000, -0.0001517100000000, 0.0000456600000000 ] - [ 0.0003138100000000, 0.0002980600000000, -0.0007810500000000 ] - [ -0.0006843800000000, 0.0004887800000000, -0.0009056300000000 ] - [ -0.0002898000000000, -0.0000738800000000, 0.0005843200000000 ] - [ 0.0003158100000000, -0.0002766200000000, -0.0007295100000000 ] - [ -0.0003106100000000, -0.0000596800000000, -0.0002774200000000 ] - [ -0.0001003600000000, 0.0004468000000000, -0.0001799900000000 ] - [ 0.0000450200000000, 0.0000319900000000, -0.0001640000000000 ] - [ -0.0000966000000000, 0.0003845200000000, 0.0008897200000000 ] - [ 0.0001271100000000, 0.0002592800000000, -0.0001444400000000 ] - [ 0.0002765500000000, 0.0006753000000000, 0.0001900300000000 ]- atom: 39 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004876400000000, 0.0042170900000000, 0.0021130400000000 ] - [ 0.0015509200000000, -0.0003325000000000, -0.0049888500000000 ] - [ -0.0007860500000000, 0.0009900600000000, -0.0000837800000000 ] - [ -0.0003336900000000, 0.0001663100000000, -0.0004309600000000 ] - [ 0.0000446500000000, 0.0003012200000000, -0.0000276600000000 ] - [ -0.0041415800000000, 0.0191702000000000, 0.0044244400000000 ] - [ -0.0063085400000000, -0.0205018200000000, -0.0022229700000000 ] - [ -0.0000218000000000, 0.0000909700000000, 0.0003098200000000 ] - [ -0.0003986200000000, 0.0000700800000000, -0.0004601400000000 ] - [ 0.0004945000000000, 0.0004848500000000, 0.0002074400000000 ] - [ -0.0006541100000000, -0.0005549500000000, 0.0000372300000000 ] - [ -0.0079668300000000, -0.0021729000000000, 0.0148636600000000 ] - [ -0.0007266200000000, -0.0011182900000000, 0.0036867500000000 ] - [ 0.0000105900000000, 0.0001026400000000, 0.0002334600000000 ] - [ 0.0000880700000000, 0.0001466900000000, -0.0000448400000000 ] - [ 0.0007575600000000, -0.0058896400000000, -0.0022780500000000 ] - [ 0.0003865800000000, 0.0000542900000000, -0.0005731300000000 ] - [ 0.0006568600000000, -0.0005868300000000, -0.0000028000000000 ] - [ -0.0006220600000000, 0.0007437400000000, 0.0000254400000000 ] - [ -0.0009148900000000, 0.0000507000000000, -0.0012170900000000 ] - [ 0.0000399600000000, -0.0001521800000000, 0.0000344300000000 ] - [ 0.0000121100000000, 0.0000499400000000, 0.0003098500000000 ] - [ 0.0000000900000000, 0.0000470000000000, 0.0005591500000000 ] - [ -0.0000064500000000, 0.0000996000000000, 0.0005585400000000 ] - [ 0.0004740000000000, -0.0003095200000000, -0.0010319200000000 ] - [ 0.0005935100000000, 0.0003571400000000, -0.0009738900000000 ] - [ -0.0011592300000000, 0.0021567700000000, -0.0130032600000000 ] - [ -0.0000280300000000, 0.0001063400000000, 0.0000129400000000 ] - [ 0.0000348600000000, 0.0000776900000000, -0.0000343400000000 ] - [ -0.0000025900000000, 0.0001106600000000, 0.0003043200000000 ] - [ -0.0000071200000000, 0.0003531500000000, -0.0001133600000000 ] - [ 0.0003344500000000, 0.0001572400000000, -0.0005623500000000 ] - [ -0.0001730900000000, -0.0008313800000000, -0.0009633000000000 ] - [ -0.0013742200000000, 0.0006951600000000, 0.0028275700000000 ] - [ 0.0002817000000000, 0.0003482700000000, -0.0004485800000000 ] - [ 0.0066255700000000, 0.0024884100000000, -0.0070410600000000 ] - [ 0.0001900400000000, -0.0005710100000000, -0.0008223300000000 ] - [ 0.0003539100000000, 0.0002749900000000, -0.0004066400000000 ] - [ 0.2518786300000000, -0.0020347600000000, -0.0154597000000000 ] - [ 0.0000493100000000, 0.0021363700000000, -0.0001545100000000 ] - [ 0.0006507900000000, -0.0003154600000000, -0.0008836000000000 ] - [ -0.0005189600000000, 0.0000458500000000, -0.0006457000000000 ] - [ -0.0544079000000000, -0.0019400100000000, -0.0029484000000000 ] - [ -0.0038204900000000, 0.0000522100000000, 0.0019235900000000 ] - [ 0.0012255600000000, 0.0019304600000000, 0.0008326000000000 ] - [ -0.0047278600000000, 0.0004606000000000, -0.0001308900000000 ] - [ 0.0003461800000000, 0.0001391700000000, -0.0002130100000000 ] - [ -0.0002712500000000, -0.0005717700000000, -0.0009715400000000 ] - [ -0.0003362400000000, -0.0000544000000000, -0.0002643900000000 ] - [ 0.0007249200000000, -0.0008361600000000, 0.0001212700000000 ] - [ -0.0025564300000000, -0.0000009300000000, 0.0007501600000000 ] - [ 0.0007532300000000, 0.0011358300000000, -0.0000168800000000 ] - [ -0.0001156000000000, -0.0012407200000000, -0.0010422800000000 ] - [ 0.0072068200000000, 0.0096659800000000, -0.0030842900000000 ] - [ -0.0004972500000000, 0.0001826000000000, -0.0006242800000000 ] - [ -0.0002256400000000, 0.0009578900000000, -0.0009080300000000 ] - [ 0.0004858000000000, 0.0001602800000000, -0.0005670600000000 ] - [ -0.0007141300000000, 0.0000550200000000, -0.0004144500000000 ] - [ -0.0001663900000000, -0.0004289200000000, -0.0009310100000000 ] - [ 0.0005621500000000, -0.0001457400000000, -0.0007880800000000 ] - [ 0.0001479600000000, 0.0006144900000000, -0.0011420200000000 ] - [ -0.0007712300000000, -0.0007244300000000, -0.0000631800000000 ] - [ -0.0007082400000000, 0.0012129000000000, 0.0001324300000000 ] - [ -0.0003689300000000, -0.0002256400000000, -0.0007461200000000 ] - [ 0.0002428400000000, -0.0009478200000000, -0.0000791500000000 ] - [ -0.0005198100000000, -0.0043615000000000, 0.0002214100000000 ] - [ -0.0004527800000000, -0.0002846600000000, 0.0006684500000000 ] - [ -0.0004436200000000, -0.0010617500000000, 0.0003982700000000 ] - [ 0.0027971100000000, 0.0037352000000000, -0.0013570900000000 ] - [ -0.0027846500000000, -0.0008503900000000, -0.0002766800000000 ] - [ 0.0006718200000000, 0.0000610200000000, -0.0000376000000000 ] - [ -0.0150975600000000, 0.0017482600000000, -0.0038705200000000 ] - [ -0.0003355200000000, -0.0003686000000000, -0.0006803500000000 ] - [ 0.0000098200000000, -0.0006702500000000, -0.0005328800000000 ] - [ -0.0773288700000000, -0.0356534400000000, -0.0485693800000000 ] - [ 0.0002292400000000, -0.0000606600000000, 0.0002413900000000 ] - [ -0.0017787100000000, -0.0030499500000000, -0.0019127500000000 ] - [ 0.0005129000000000, 0.0002413700000000, 0.0000609900000000 ] - [ -0.0032202500000000, 0.0013344800000000, 0.0009441700000000 ] - [ 0.0007387000000000, -0.0003881300000000, 0.0016421400000000 ] - [ 0.0025840200000000, -0.0020366600000000, -0.0005120000000000 ] - [ -0.0002099200000000, 0.0000301600000000, 0.0002981100000000 ] - [ 0.0008296000000000, 0.0006969500000000, -0.0001954000000000 ] - [ 0.0019886500000000, 0.0009442700000000, 0.0007938000000000 ] - [ 0.0004034000000000, 0.0012096500000000, 0.0005647300000000 ] - [ 0.0075668500000000, -0.0002277000000000, -0.0001464900000000 ] - [ 0.0002739600000000, -0.0000869000000000, 0.0004687300000000 ] - [ -0.0024881800000000, 0.0014055800000000, -0.0024948800000000 ] - [ 0.0000622200000000, 0.0003431700000000, 0.0003137100000000 ] - [ 0.0000048500000000, -0.0002139800000000, 0.0002338800000000 ] - [ -0.0006000800000000, -0.0008626900000000, 0.0003008200000000 ] - [ 0.0000942900000000, 0.0004564800000000, 0.0002522600000000 ] - [ 0.0003502900000000, -0.0005553400000000, 0.0002201000000000 ] - [ 0.0010689000000000, -0.0005851400000000, -0.0002587900000000 ] - [ -0.0008525100000000, -0.0006688300000000, -0.0002604800000000 ] - [ -0.0003277700000000, 0.0002433100000000, -0.0001203400000000 ] - [ -0.0000486200000000, -0.0006147400000000, -0.0000189700000000 ] - [ 0.0007130000000000, 0.0003723700000000, 0.0012274900000000 ] - [ 0.0056813400000000, 0.0027269400000000, 0.0025011400000000 ] - [ -0.0002778700000000, 0.0004762500000000, 0.0002756600000000 ] - [ 0.0006269800000000, 0.0002583300000000, 0.0032996500000000 ] - [ 0.0008253100000000, -0.0002677100000000, 0.0006135200000000 ] - [ -0.0000053700000000, 0.0001477300000000, -0.0004141300000000 ] - [ -0.0008983600000000, 0.0004859000000000, -0.0002500100000000 ] - [ 0.0047475100000000, 0.0004945900000000, 0.0000003000000000 ] - [ 0.0003189300000000, -0.0000474900000000, 0.0004979900000000 ] - [ 0.0000845000000000, -0.0002777700000000, -0.0000318800000000 ] - [ -0.0063557500000000, 0.0000261000000000, -0.0000902000000000 ] - [ 0.0000322800000000, -0.0006547700000000, -0.0001821500000000 ] - [ 0.0005692000000000, -0.0007998700000000, 0.0000135400000000 ] - [ 0.0019801100000000, 0.0006637400000000, -0.0000706100000000 ] - [ -0.0003054100000000, 0.0001920200000000, -0.0006726800000000 ] - [ 0.0022451700000000, 0.0007956000000000, -0.0010071000000000 ] - [ -0.0011533800000000, 0.0000991300000000, -0.0004761500000000 ] - [ -0.0005526500000000, -0.0004934400000000, -0.0003623300000000 ] - [ -0.0169746100000000, 0.0044527200000000, 0.0042667400000000 ] - [ -0.0007020300000000, 0.0001039600000000, -0.0001413600000000 ] - [ 0.0061711500000000, -0.0031983100000000, -0.0029926000000000 ] - [ -0.0964293700000000, 0.0250177800000000, 0.0681647100000000 ] - [ 0.0041717400000000, 0.0000123200000000, 0.0015187500000000 ] - [ 0.0001181300000000, -0.0009112000000000, -0.0001548600000000 ] - [ -0.0002771600000000, -0.0006838700000000, 0.0002638500000000 ] - [ -0.0000963400000000, -0.0004158900000000, 0.0009004700000000 ] - [ -0.0000596500000000, -0.0007011600000000, 0.0002323700000000 ] - [ -0.0001370200000000, 0.0000309000000000, 0.0001873400000000 ] - [ 0.0000559900000000, -0.0003666500000000, 0.0007864500000000 ] - [ 0.0003223700000000, 0.0003055900000000, -0.0001290700000000 ] - [ -0.0004646600000000, 0.0007473400000000, 0.0004926600000000 ] - [ -0.0011566200000000, -0.0011912200000000, 0.0036305700000000 ] - [ 0.0003778500000000, -0.0003733900000000, -0.0000111800000000 ] - [ 0.0001412300000000, -0.0000905800000000, 0.0001313800000000 ] - [ 0.0001278000000000, -0.0000300300000000, 0.0001255500000000 ] - [ -0.0002908200000000, 0.0000255000000000, 0.0006476100000000 ] - [ -0.0001641100000000, -0.0001980400000000, -0.0000696100000000 ] - [ -0.0003141600000000, -0.0005001800000000, -0.0001823100000000 ] - [ -0.0000025900000000, -0.0000538600000000, 0.0009965500000000 ] - [ 0.0000956600000000, -0.0003279700000000, -0.0000747700000000 ] - [ -0.0001344900000000, -0.0000963300000000, 0.0001222600000000 ] - [ 0.0010004300000000, 0.0005862500000000, -0.0002430200000000 ] - [ 0.0005668900000000, 0.0006280300000000, 0.0002624800000000 ] - [ 0.0004648800000000, 0.0007922200000000, 0.0004570200000000 ] - [ 0.0003644600000000, 0.0002409500000000, -0.0000406900000000 ] - [ 0.0003219900000000, 0.0004465400000000, 0.0010342900000000 ] - [ 0.0000151000000000, -0.0000478000000000, -0.0001652900000000 ] - [ -0.0001269800000000, 0.0001637600000000, -0.0001489000000000 ] - [ -0.0000867000000000, -0.0004183800000000, -0.0002086500000000 ] - [ -0.0008791100000000, -0.0008177300000000, 0.0001931400000000 ] - [ 0.0003046300000000, 0.0012200500000000, 0.0004086000000000 ] - [ 0.0005802500000000, -0.0004270500000000, 0.0002867500000000 ] - [ 0.0008127400000000, -0.0005912700000000, -0.0002361200000000 ] - [ -0.0037516800000000, 0.0017792700000000, -0.0009499100000000 ] - [ -0.0000516400000000, -0.0000304100000000, 0.0012146300000000 ] - [ -0.0001534200000000, -0.0006690100000000, 0.0003574400000000 ] - [ 0.0000850300000000, 0.0002824600000000, 0.0008946100000000 ] - [ -0.0001236000000000, 0.0004623000000000, 0.0003066800000000 ] - [ 0.0001949200000000, 0.0015344400000000, -0.0006820700000000 ] - [ 0.0000429800000000, -0.0000453100000000, 0.0009457100000000 ] - [ 0.0004361300000000, -0.0005685100000000, 0.0007162300000000 ] - [ 0.0000849700000000, 0.0002493900000000, -0.0001144900000000 ] - [ 0.0014486800000000, -0.0003257800000000, 0.0001663900000000 ] - [ -0.0005618400000000, 0.0005553700000000, 0.0002383900000000 ] - [ 0.0002990000000000, 0.0001313100000000, 0.0008460400000000 ] - [ 0.0002361100000000, -0.0003031700000000, -0.0001949800000000 ] - [ 0.0003162300000000, -0.0004977400000000, -0.0002097900000000 ] - [ -0.0003216200000000, 0.0004357500000000, -0.0002205000000000 ] - [ 0.0001046900000000, -0.0008793600000000, 0.0005389100000000 ] - [ 0.0003285700000000, 0.0002554200000000, -0.0005100600000000 ] - [ 0.0000357300000000, 0.0000723800000000, -0.0003893700000000 ] - [ -0.0003080000000000, -0.0003357300000000, 0.0007023200000000 ] - [ 0.0003274600000000, -0.0002830600000000, -0.0005614000000000 ] - [ -0.0004075300000000, -0.0005093300000000, 0.0001284500000000 ] - [ -0.0000895800000000, 0.0002547200000000, -0.0000843100000000 ] - [ -0.0000451800000000, -0.0000356400000000, -0.0002207200000000 ] - [ -0.0000799900000000, 0.0003066000000000, 0.0008620100000000 ] - [ 0.0001258300000000, 0.0001506700000000, -0.0001364400000000 ] - [ 0.0002778900000000, 0.0004606700000000, 0.0003364600000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025919200000000, 0.0028993700000000, 0.0047373300000000 ] - [ -0.0019846800000000, -0.0081135900000000, 0.0016041500000000 ] - [ -0.0009202700000000, 0.0027155300000000, -0.0017383100000000 ] - [ -0.0000295600000000, 0.0023507400000000, -0.0007260300000000 ] - [ 0.0002108300000000, 0.0011396000000000, 0.0014381700000000 ] - [ -0.0138563900000000, 0.0097627700000000, 0.0150087600000000 ] - [ 0.0130205200000000, 0.0120332700000000, 0.0111823500000000 ] - [ 0.0001496400000000, -0.0013329900000000, -0.0015267400000000 ] - [ -0.0005648200000000, 0.0023689000000000, -0.0008579000000000 ] - [ 0.0002995200000000, 0.0015196200000000, 0.0009846000000000 ] - [ -0.0008937200000000, 0.0010292600000000, -0.0000012700000000 ] - [ -0.0018881000000000, -0.0066355500000000, 0.0033478000000000 ] - [ 0.0020728300000000, -0.0064359600000000, 0.0014820600000000 ] - [ 0.0000352100000000, -0.0012293300000000, -0.0015870700000000 ] - [ 0.0002375000000000, 0.0017617800000000, -0.0017826100000000 ] - [ 0.0025130600000000, 0.0030213600000000, 0.0036786200000000 ] - [ 0.0004901500000000, 0.0012573400000000, -0.0003154500000000 ] - [ 0.0009011200000000, 0.0009570200000000, 0.0001260300000000 ] - [ -0.0000256200000000, 0.0024945200000000, -0.0008506900000000 ] - [ -0.0016388700000000, -0.0006945600000000, -0.0034503800000000 ] - [ 0.0000722800000000, 0.0010393200000000, 0.0011887600000000 ] - [ -0.0000059800000000, 0.0014562400000000, 0.0004245600000000 ] - [ 0.0001647600000000, 0.0014494200000000, 0.0006466400000000 ] - [ -0.0002573600000000, 0.0020896100000000, 0.0004886700000000 ] - [ 0.0020762200000000, -0.0007148400000000, -0.0037699700000000 ] - [ 0.0006122600000000, 0.0014596800000000, 0.0013250500000000 ] - [ -0.0049578900000000, -0.0146291400000000, -0.0032709400000000 ] - [ 0.0001172900000000, 0.0018372500000000, -0.0001555800000000 ] - [ -0.0001193800000000, 0.0018545600000000, -0.0000167600000000 ] - [ 0.0001292000000000, 0.0020573000000000, 0.0002033900000000 ] - [ -0.0003053200000000, 0.0028311900000000, -0.0010280500000000 ] - [ 0.0003321500000000, 0.0013588100000000, -0.0002797100000000 ] - [ 0.0000620900000000, -0.0032905600000000, 0.0018331600000000 ] - [ 0.0005224600000000, -0.0050209300000000, 0.0028123100000000 ] - [ 0.0000563900000000, 0.0032572200000000, -0.0015972200000000 ] - [ 0.0114674600000000, 0.0177289100000000, -0.0469340900000000 ] - [ -0.0001235800000000, 0.0031665600000000, -0.0016624200000000 ] - [ 0.0007169000000000, 0.0036563600000000, -0.0012326200000000 ] - [ 0.0042242700000000, -0.1694092900000000, -0.0412512800000000 ] - [ -0.0014891000000000, 0.0099838300000000, 0.0032914100000000 ] - [ 0.0001775600000000, -0.0056545500000000, -0.0010187100000000 ] - [ -0.0004342600000000, 0.0002954900000000, -0.0010352600000000 ] - [ 0.0013936200000000, -0.0260394000000000, -0.0089777100000000 ] - [ 0.0004265600000000, 0.0051154000000000, 0.0000953600000000 ] - [ 0.0014034600000000, 0.0096932300000000, 0.0035787300000000 ] - [ -0.0003476600000000, -0.0061583100000000, -0.0036542900000000 ] - [ -0.0006617100000000, -0.0027121000000000, 0.0043744900000000 ] - [ -0.0003752200000000, -0.0023188200000000, 0.0015745800000000 ] - [ -0.0008918600000000, 0.0040595500000000, 0.0010633500000000 ] - [ 0.0007114200000000, 0.0031443300000000, 0.0006753200000000 ] - [ -0.0009710100000000, -0.0005378500000000, -0.0014257500000000 ] - [ 0.0007619000000000, 0.0046314900000000, -0.0006111800000000 ] - [ 0.0006714600000000, -0.0058289600000000, -0.0011485600000000 ] - [ 0.0135642200000000, 0.0441067200000000, -0.0211418700000000 ] - [ -0.0006571300000000, 0.0031891600000000, -0.0012214600000000 ] - [ -0.0002444400000000, 0.0018598300000000, -0.0010147100000000 ] - [ 0.0006336200000000, 0.0038687000000000, -0.0013051500000000 ] - [ -0.0004318400000000, 0.0042252700000000, 0.0008226300000000 ] - [ 0.0000636700000000, 0.0024268500000000, -0.0015733000000000 ] - [ 0.0006311200000000, 0.0017214500000000, -0.0009157100000000 ] - [ 0.0002480800000000, 0.0018543400000000, -0.0015498000000000 ] - [ -0.0008829300000000, 0.0029140100000000, -0.0002978200000000 ] - [ -0.0004612300000000, 0.0057291600000000, 0.0003679800000000 ] - [ 0.0002762300000000, 0.0041987700000000, 0.0002542500000000 ] - [ 0.0004340700000000, -0.0046701000000000, -0.0023197800000000 ] - [ -0.0012621000000000, -0.0137629400000000, 0.0004946900000000 ] - [ -0.0002223100000000, -0.0006292400000000, 0.0035983100000000 ] - [ -0.0003081100000000, -0.0020096600000000, 0.0006325700000000 ] - [ -0.0016516900000000, -0.0024040800000000, -0.0004166900000000 ] - [ -0.0000049000000000, 0.0000835700000000, -0.0032266800000000 ] - [ 0.0001215600000000, -0.0016690000000000, 0.0012196000000000 ] - [ -0.0086161500000000, 0.0124823600000000, -0.0067513600000000 ] - [ -0.0005377400000000, -0.0015065000000000, -0.0002049600000000 ] - [ -0.0004690500000000, -0.0020255000000000, -0.0020238900000000 ] - [ 0.0332287200000000, 0.0478120800000000, 0.0269829400000000 ] - [ 0.0003279000000000, -0.0002266700000000, 0.0009085100000000 ] - [ -0.0012440700000000, -0.0119619100000000, -0.0052128600000000 ] - [ 0.0002361600000000, -0.0023914300000000, -0.0010422000000000 ] - [ -0.0019860400000000, 0.0113138500000000, 0.0078592600000000 ] - [ 0.0067369500000000, -0.0008391100000000, 0.0072656900000000 ] - [ 0.0012633900000000, -0.0019571500000000, 0.0003077500000000 ] - [ -0.0006629200000000, 0.0023216800000000, 0.0017865200000000 ] - [ 0.0006648300000000, 0.0012399300000000, -0.0008216200000000 ] - [ 0.0005933800000000, 0.0024244800000000, -0.0004108800000000 ] - [ 0.0003147200000000, 0.0050373500000000, -0.0012820600000000 ] - [ 0.0040971900000000, 0.0057934600000000, -0.0016293600000000 ] - [ 0.0000915000000000, -0.0029381900000000, -0.0007141900000000 ] - [ -0.0100008400000000, -0.0010913800000000, 0.0045876700000000 ] - [ 0.0001873800000000, 0.0021892000000000, 0.0020428400000000 ] - [ -0.0000515900000000, 0.0007491600000000, 0.0001339800000000 ] - [ -0.0007596700000000, -0.0024688200000000, 0.0009963400000000 ] - [ 0.0000083600000000, -0.0009410300000000, 0.0000609300000000 ] - [ 0.0006146000000000, -0.0020394400000000, -0.0000757800000000 ] - [ 0.0010210500000000, 0.0004743900000000, -0.0007015100000000 ] - [ -0.0007377600000000, -0.0016082000000000, -0.0000968800000000 ] - [ -0.0002255700000000, -0.0009647000000000, -0.0000238100000000 ] - [ 0.0009502900000000, -0.0019960200000000, -0.0007835100000000 ] - [ 0.0006214900000000, 0.0031085300000000, 0.0031415400000000 ] - [ -0.0070759100000000, 0.0069496000000000, 0.0003627500000000 ] - [ -0.0002222700000000, -0.0023057400000000, 0.0013968400000000 ] - [ -0.0006245200000000, 0.0009352400000000, -0.0004533600000000 ] - [ 0.0004550900000000, -0.0041632100000000, -0.0014158200000000 ] - [ 0.0004077900000000, 0.0023082000000000, -0.0004087800000000 ] - [ -0.0010314700000000, -0.0004659600000000, 0.0000638600000000 ] - [ 0.0020121300000000, 0.0068650000000000, 0.0019982100000000 ] - [ 0.0004483600000000, -0.0024179400000000, 0.0010664100000000 ] - [ -0.0002257100000000, -0.0005276500000000, 0.0007455300000000 ] - [ -0.0003151600000000, 0.0030389700000000, -0.0016330800000000 ] - [ -0.0002428600000000, 0.0010166000000000, -0.0008567800000000 ] - [ 0.0010909400000000, -0.0033380800000000, 0.0006267200000000 ] - [ 0.0003090200000000, 0.0005362100000000, -0.0028609700000000 ] - [ -0.0001396000000000, -0.0009841100000000, 0.0001027400000000 ] - [ 0.0006865500000000, 0.0042058800000000, -0.0009446800000000 ] - [ 0.0002023600000000, 0.0007029900000000, -0.0035689400000000 ] - [ -0.0014283500000000, -0.0025487100000000, 0.0002324100000000 ] - [ -0.0085531000000000, 0.0324133800000000, 0.0145130700000000 ] - [ 0.0000541200000000, 0.0009869800000000, -0.0009015000000000 ] - [ -0.0004992500000000, 0.0013935400000000, -0.0007865100000000 ] - [ -0.0270006500000000, 0.0356711200000000, 0.0219622600000000 ] - [ 0.0017409900000000, 0.0108087900000000, -0.0026967200000000 ] - [ 0.0001690200000000, -0.0009251900000000, -0.0009509300000000 ] - [ -0.0002773800000000, -0.0024957600000000, -0.0000762200000000 ] - [ -0.0002970800000000, -0.0017952100000000, 0.0011930800000000 ] - [ -0.0003067100000000, -0.0036275200000000, -0.0012451100000000 ] - [ -0.0003461300000000, -0.0008488800000000, 0.0003915900000000 ] - [ 0.0000419700000000, -0.0015434100000000, 0.0002729300000000 ] - [ 0.0003036500000000, -0.0012433500000000, 0.0002588000000000 ] - [ -0.0004991500000000, -0.0013861300000000, 0.0015995200000000 ] - [ -0.0018944200000000, -0.0030468300000000, 0.0124189700000000 ] - [ 0.0003453600000000, -0.0007222300000000, -0.0001419300000000 ] - [ -0.0001403400000000, -0.0012882600000000, -0.0000907400000000 ] - [ 0.0004418000000000, -0.0016535600000000, 0.0004529700000000 ] - [ -0.0002413700000000, -0.0010113400000000, 0.0006978200000000 ] - [ -0.0002341600000000, -0.0007970300000000, 0.0001021000000000 ] - [ -0.0003761000000000, -0.0020761200000000, -0.0003407900000000 ] - [ -0.0000065000000000, -0.0009832300000000, 0.0011298200000000 ] - [ 0.0002536400000000, -0.0016881100000000, -0.0002128400000000 ] - [ 0.0002288400000000, -0.0015757800000000, -0.0001507400000000 ] - [ 0.0009343600000000, -0.0006559700000000, -0.0004623300000000 ] - [ 0.0004822400000000, -0.0009489800000000, -0.0000808000000000 ] - [ 0.0005672400000000, -0.0019001900000000, 0.0014229600000000 ] - [ 0.0002197300000000, -0.0007637800000000, -0.0001221000000000 ] - [ 0.0004174900000000, 0.0010442500000000, 0.0016586300000000 ] - [ -0.0000044100000000, -0.0008538700000000, -0.0000492700000000 ] - [ -0.0000851100000000, -0.0009365600000000, -0.0002473200000000 ] - [ -0.0002468600000000, -0.0025757900000000, -0.0009669000000000 ] - [ -0.0010359500000000, -0.0038272800000000, 0.0014722500000000 ] - [ 0.0008291100000000, 0.0033930900000000, 0.0020908800000000 ] - [ 0.0005576200000000, -0.0005367700000000, -0.0001212400000000 ] - [ 0.0008212000000000, -0.0018478100000000, -0.0005617000000000 ] - [ -0.0118646900000000, -0.0018219100000000, 0.0023956500000000 ] - [ -0.0012036100000000, 0.0028025100000000, 0.0017233500000000 ] - [ -0.0001667600000000, -0.0011176200000000, 0.0003876000000000 ] - [ -0.0000170800000000, -0.0009658100000000, 0.0010451800000000 ] - [ -0.0000384000000000, -0.0006966300000000, 0.0000301400000000 ] - [ -0.0003726100000000, 0.0051830300000000, -0.0018254500000000 ] - [ 0.0002437500000000, -0.0011258700000000, 0.0007851300000000 ] - [ 0.0005118700000000, -0.0012266400000000, -0.0002334800000000 ] - [ -0.0001173500000000, -0.0017980900000000, 0.0004051900000000 ] - [ 0.0063852400000000, -0.0051559400000000, 0.0023135800000000 ] - [ -0.0005089500000000, -0.0009066100000000, 0.0001581600000000 ] - [ 0.0002954500000000, 0.0014448700000000, 0.0004087200000000 ] - [ 0.0004109600000000, -0.0017262800000000, -0.0001498300000000 ] - [ 0.0003578900000000, -0.0021297600000000, -0.0004344400000000 ] - [ -0.0003720400000000, -0.0010768400000000, -0.0002556300000000 ] - [ 0.0001935500000000, -0.0020697400000000, 0.0014780400000000 ] - [ 0.0001671700000000, -0.0006506100000000, -0.0012636200000000 ] - [ -0.0004927900000000, -0.0000630500000000, 0.0018270500000000 ] - [ -0.0003813000000000, -0.0018206200000000, 0.0012065400000000 ] - [ 0.0005041900000000, -0.0013876800000000, -0.0008932100000000 ] - [ -0.0007761800000000, -0.0015043400000000, 0.0011200000000000 ] - [ 0.0000769400000000, -0.0013727300000000, 0.0003401400000000 ] - [ -0.0001348200000000, -0.0009663600000000, -0.0003317000000000 ] - [ 0.0000430500000000, -0.0009300400000000, 0.0008419800000000 ] - [ 0.0001233000000000, -0.0008133200000000, -0.0002466000000000 ] - [ 0.0002549000000000, -0.0018107400000000, 0.0013173500000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0033073200000000, -0.0029931900000000, -0.0057006700000000 ] - [ 0.0032704100000000, 0.0068343800000000, -0.0015923100000000 ] - [ -0.0003707200000000, -0.0014323300000000, 0.0017717900000000 ] - [ -0.0007099300000000, -0.0022559400000000, -0.0002576600000000 ] - [ -0.0001309500000000, -0.0011632900000000, -0.0014597900000000 ] - [ 0.0140275900000000, -0.0098611400000000, -0.0145740300000000 ] - [ -0.0131830400000000, -0.0120982100000000, -0.0101928200000000 ] - [ -0.0001516400000000, 0.0013368400000000, 0.0026477200000000 ] - [ -0.0001724500000000, -0.0024738100000000, -0.0001250300000000 ] - [ 0.0009907600000000, -0.0002265800000000, -0.0009557200000000 ] - [ -0.0003973500000000, -0.0023230100000000, 0.0000270300000000 ] - [ 0.0017698100000000, 0.0066571200000000, -0.0032929500000000 ] - [ -0.0019858100000000, 0.0064786600000000, -0.0015057100000000 ] - [ -0.0000314000000000, 0.0012323600000000, 0.0022120200000000 ] - [ -0.0003166600000000, -0.0017941300000000, 0.0017761600000000 ] - [ -0.0017544800000000, -0.0029088700000000, -0.0046444400000000 ] - [ 0.0002474500000000, -0.0013567300000000, -0.0006696300000000 ] - [ 0.0003897900000000, -0.0022515300000000, -0.0001022900000000 ] - [ -0.0012651300000000, -0.0012085600000000, 0.0008733900000000 ] - [ 0.0009055000000000, 0.0007877000000000, 0.0024769100000000 ] - [ 0.0000078800000000, -0.0010654600000000, -0.0011990300000000 ] - [ 0.0000067000000000, -0.0014586300000000, 0.0001876000000000 ] - [ -0.0001654900000000, -0.0014521800000000, 0.0004611600000000 ] - [ 0.0002576100000000, -0.0020916300000000, 0.0006169200000000 ] - [ -0.0028248600000000, 0.0006060300000000, 0.0027965700000000 ] - [ 0.0006768700000000, -0.0001623900000000, -0.0013058200000000 ] - [ 0.0036836900000000, 0.0133195500000000, 0.0033460800000000 ] - [ -0.0001964900000000, -0.0018128200000000, 0.0001418400000000 ] - [ 0.0001985600000000, -0.0018311000000000, 0.0000012900000000 ] - [ -0.0001293500000000, -0.0020598600000000, 0.0004053700000000 ] - [ 0.0002248500000000, -0.0028681900000000, 0.0010128500000000 ] - [ 0.0004058100000000, -0.0012595200000000, -0.0007051600000000 ] - [ -0.0006854100000000, 0.0031709800000000, -0.0026722900000000 ] - [ 0.0009689700000000, 0.0031872000000000, -0.0027039500000000 ] - [ 0.0005651700000000, -0.0031339000000000, 0.0007430100000000 ] - [ -0.0100549200000000, -0.0161219000000000, 0.0474888400000000 ] - [ 0.0004784400000000, -0.0043890400000000, -0.0000640400000000 ] - [ -0.0000954400000000, -0.0037885700000000, 0.0003786000000000 ] - [ -0.0041071200000000, 0.1704452200000000, 0.0418149100000000 ] - [ 0.0011282800000000, -0.0087351200000000, -0.0050075600000000 ] - [ 0.0007770200000000, 0.0056504700000000, -0.0000708300000000 ] - [ -0.0005202000000000, -0.0002842400000000, -0.0000692200000000 ] - [ -0.0017383200000000, 0.0247426500000000, 0.0071124600000000 ] - [ 0.0005376000000000, -0.0051343700000000, -0.0012164900000000 ] - [ -0.0010562900000000, -0.0085078900000000, -0.0053245400000000 ] - [ -0.0011548500000000, 0.0043075900000000, 0.0037642900000000 ] - [ -0.0008331800000000, 0.0046312500000000, -0.0042903900000000 ] - [ -0.0002463700000000, 0.0024442300000000, -0.0024171700000000 ] - [ 0.0002712100000000, -0.0041911900000000, -0.0019318000000000 ] - [ 0.0007829800000000, -0.0050075600000000, -0.0005879800000000 ] - [ 0.0016468900000000, 0.0006571300000000, 0.0005406900000000 ] - [ 0.0007327100000000, -0.0027808000000000, 0.0006990100000000 ] - [ -0.0003234200000000, 0.0046081300000000, -0.0005642500000000 ] - [ -0.0130362400000000, -0.0440642800000000, 0.0200445500000000 ] - [ -0.0002982400000000, -0.0031966100000000, 0.0001103500000000 ] - [ -0.0001103300000000, -0.0006373900000000, -0.0007063300000000 ] - [ 0.0003218300000000, -0.0038753100000000, 0.0001927500000000 ] - [ -0.0005252200000000, -0.0042306900000000, -0.0019441100000000 ] - [ -0.0004185000000000, -0.0036484300000000, -0.0001518800000000 ] - [ 0.0003234700000000, -0.0017235800000000, -0.0001925300000000 ] - [ 0.0001073300000000, -0.0006431300000000, -0.0001722800000000 ] - [ -0.0006111900000000, -0.0047815900000000, 0.0003859300000000 ] - [ -0.0010316800000000, -0.0038652200000000, -0.0002769800000000 ] - [ -0.0008995400000000, -0.0040776900000000, -0.0011192200000000 ] - [ 0.0001209500000000, 0.0035170500000000, 0.0028344100000000 ] - [ 0.0007082800000000, 0.0126253900000000, 0.0000344000000000 ] - [ 0.0000452500000000, -0.0000634900000000, -0.0018633300000000 ] - [ -0.0006084800000000, 0.0002061600000000, 0.0002273600000000 ] - [ 0.0013461300000000, 0.0024493300000000, 0.0007002700000000 ] - [ 0.0001866300000000, -0.0007975200000000, 0.0050060700000000 ] - [ 0.0005040800000000, 0.0025290400000000, -0.0015970500000000 ] - [ 0.0072393900000000, -0.0090490200000000, 0.0061270900000000 ] - [ -0.0001043100000000, 0.0009516300000000, -0.0010882200000000 ] - [ 0.0011881600000000, 0.0014499000000000, 0.0018802600000000 ] - [ -0.0338853000000000, -0.0480123600000000, -0.0274350400000000 ] - [ -0.0000237900000000, 0.0002847500000000, -0.0006386900000000 ] - [ 0.0006481500000000, 0.0123096300000000, 0.0065194100000000 ] - [ -0.0004900200000000, 0.0019823500000000, 0.0007685700000000 ] - [ 0.0013785100000000, -0.0122453900000000, -0.0082537400000000 ] - [ -0.0067455100000000, 0.0008523500000000, -0.0053421100000000 ] - [ -0.0010782500000000, 0.0012587500000000, -0.0005636800000000 ] - [ 0.0003610000000000, -0.0023855100000000, -0.0015213800000000 ] - [ 0.0010781300000000, -0.0000785100000000, 0.0003066100000000 ] - [ 0.0005385600000000, -0.0011040200000000, 0.0009199100000000 ] - [ 0.0006020700000000, -0.0032364900000000, 0.0021396300000000 ] - [ -0.0033637100000000, -0.0051884700000000, 0.0015381900000000 ] - [ 0.0005068300000000, 0.0033518900000000, 0.0020064000000000 ] - [ 0.0100878000000000, 0.0011081700000000, -0.0050176200000000 ] - [ -0.0004432700000000, -0.0017785500000000, -0.0023382400000000 ] - [ -0.0001386300000000, -0.0014640400000000, -0.0004074400000000 ] - [ -0.0003719800000000, 0.0011494700000000, -0.0004863500000000 ] - [ 0.0002397100000000, 0.0019789600000000, 0.0005289400000000 ] - [ 0.0005177900000000, 0.0007170000000000, 0.0005916400000000 ] - [ 0.0007234500000000, -0.0016352500000000, 0.0001870400000000 ] - [ -0.0010050000000000, 0.0004487900000000, -0.0004150100000000 ] - [ -0.0004935700000000, 0.0015372800000000, -0.0001196800000000 ] - [ -0.0011954000000000, 0.0009554400000000, 0.0013726300000000 ] - [ -0.0004465400000000, -0.0024201800000000, -0.0013962100000000 ] - [ 0.0068079300000000, -0.0058497800000000, 0.0002813900000000 ] - [ -0.0003327800000000, 0.0034523800000000, -0.0008746200000000 ] - [ 0.0006230300000000, -0.0009486700000000, 0.0024011200000000 ] - [ 0.0004591500000000, 0.0023679800000000, 0.0022873900000000 ] - [ -0.0002214400000000, -0.0016044500000000, 0.0001208300000000 ] - [ -0.0007113100000000, 0.0016283800000000, -0.0005762600000000 ] - [ -0.0031591800000000, -0.0055045900000000, -0.0014688600000000 ] - [ 0.0001485300000000, 0.0020151800000000, 0.0002212300000000 ] - [ 0.0004796400000000, 0.0001134800000000, -0.0010312800000000 ] - [ 0.0009432900000000, -0.0039462200000000, 0.0012318400000000 ] - [ -0.0003815600000000, -0.0001832800000000, 0.0004857400000000 ] - [ -0.0008453200000000, 0.0023101400000000, -0.0000368300000000 ] - [ 0.0003379400000000, 0.0000208800000000, 0.0015620900000000 ] - [ -0.0005038100000000, 0.0015437300000000, -0.0013965100000000 ] - [ -0.0012761800000000, -0.0046005300000000, 0.0022453000000000 ] - [ 0.0004430800000000, -0.0012607900000000, 0.0022721800000000 ] - [ 0.0007106900000000, 0.0019822100000000, -0.0003756400000000 ] - [ 0.0088504700000000, -0.0342391000000000, -0.0142109600000000 ] - [ -0.0000479300000000, -0.0009984800000000, 0.0005095600000000 ] - [ 0.0003453900000000, -0.0007373300000000, 0.0025212300000000 ] - [ 0.0272357200000000, -0.0349274100000000, -0.0222281200000000 ] - [ -0.0012019900000000, -0.0096846000000000, 0.0032335200000000 ] - [ 0.0003862000000000, -0.0002257700000000, 0.0014745500000000 ] - [ -0.0002769300000000, 0.0013593600000000, 0.0006029600000000 ] - [ 0.0001196400000000, 0.0011015100000000, 0.0005612200000000 ] - [ -0.0006163200000000, 0.0018378100000000, 0.0021213000000000 ] - [ 0.0000419300000000, 0.0009111200000000, -0.0001189100000000 ] - [ 0.0001344100000000, 0.0008475900000000, 0.0014774900000000 ] - [ 0.0003200900000000, 0.0020987500000000, -0.0006321300000000 ] - [ -0.0004168700000000, 0.0031908300000000, -0.0007373200000000 ] - [ 0.0012696300000000, 0.0024972800000000, -0.0137588100000000 ] - [ 0.0003740900000000, 0.0001490400000000, -0.0000028100000000 ] - [ 0.0004458700000000, 0.0012304900000000, 0.0003658300000000 ] - [ -0.0001390900000000, 0.0017151600000000, -0.0001753900000000 ] - [ -0.0003559300000000, 0.0014157100000000, 0.0005862500000000 ] - [ -0.0000185200000000, 0.0003865000000000, -0.0003851600000000 ] - [ -0.0002472400000000, 0.0012282500000000, -0.0000308000000000 ] - [ 0.0000064800000000, 0.0009856300000000, 0.0008224500000000 ] - [ -0.0000633300000000, 0.0009852800000000, -0.0000526300000000 ] - [ -0.0005346300000000, 0.0015185000000000, 0.0004270000000000 ] - [ 0.0008077800000000, 0.0018182700000000, -0.0000469600000000 ] - [ 0.0006499700000000, 0.0022735600000000, 0.0005951200000000 ] - [ 0.0003480100000000, 0.0037059500000000, -0.0005577000000000 ] - [ 0.0004997000000000, 0.0013362500000000, -0.0000212400000000 ] - [ 0.0001792700000000, -0.0006387100000000, -0.0003817900000000 ] - [ 0.0000042500000000, 0.0008560300000000, -0.0003367000000000 ] - [ -0.0001670400000000, 0.0013507800000000, -0.0000314600000000 ] - [ 0.0000566200000000, 0.0018743400000000, 0.0007044300000000 ] - [ -0.0000946800000000, 0.0025062900000000, -0.0009501000000000 ] - [ -0.0005800800000000, -0.0023610600000000, -0.0015072200000000 ] - [ 0.0005740300000000, -0.0007848400000000, 0.0006295400000000 ] - [ 0.0009216900000000, 0.0006881000000000, 0.0000525800000000 ] - [ 0.0100758500000000, 0.0006546200000000, -0.0028714000000000 ] - [ 0.0004940100000000, -0.0022396100000000, -0.0018776000000000 ] - [ -0.0000811200000000, 0.0000800700000000, 0.0002007100000000 ] - [ 0.0001950000000000, 0.0016644300000000, 0.0007082300000000 ] - [ -0.0002093300000000, 0.0017341500000000, 0.0005591800000000 ] - [ -0.0001797200000000, -0.0040429100000000, 0.0023424100000000 ] - [ -0.0002427500000000, 0.0011257100000000, 0.0011663600000000 ] - [ 0.0004034400000000, -0.0005745900000000, 0.0010950000000000 ] - [ 0.0003083300000000, 0.0025039700000000, -0.0006694200000000 ] - [ -0.0081664500000000, 0.0063676100000000, -0.0028249400000000 ] - [ -0.0006233500000000, 0.0022316100000000, 0.0003544200000000 ] - [ 0.0003018700000000, -0.0018433600000000, 0.0008690100000000 ] - [ -0.0001569700000000, 0.0013164500000000, -0.0001240700000000 ] - [ 0.0002658100000000, 0.0012807000000000, 0.0000627000000000 ] - [ -0.0002515700000000, 0.0019278500000000, -0.0001170900000000 ] - [ 0.0000537500000000, 0.0010460200000000, -0.0008933900000000 ] - [ 0.0004756300000000, 0.0012072800000000, -0.0000245400000000 ] - [ -0.0001578800000000, 0.0006297700000000, -0.0031265500000000 ] - [ -0.0002161900000000, 0.0014167100000000, 0.0000783300000000 ] - [ 0.0001384200000000, 0.0008321500000000, -0.0003963200000000 ] - [ 0.0000588400000000, 0.0009395900000000, -0.0012674000000000 ] - [ -0.0002677000000000, 0.0020819100000000, -0.0006066400000000 ] - [ 0.0001334100000000, 0.0009664700000000, -0.0000536500000000 ] - [ -0.0002204400000000, 0.0016270800000000, 0.0009095500000000 ] - [ 0.0001295100000000, 0.0012273100000000, -0.0000339700000000 ] - [ 0.0002997900000000, 0.0029574200000000, -0.0007950400000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006695900000000, 0.0054224900000000, -0.0028799900000000 ] - [ 0.0053318600000000, 0.0028049900000000, 0.0088652900000000 ] - [ -0.0004519400000000, -0.0006150400000000, 0.0006291800000000 ] - [ -0.0005169300000000, -0.0006274300000000, -0.0005426700000000 ] - [ -0.0003859400000000, 0.0012274600000000, -0.0004543800000000 ] - [ 0.0002162700000000, 0.0122002200000000, -0.0069431500000000 ] - [ 0.0015402500000000, 0.0116302900000000, -0.0004574300000000 ] - [ 0.0002000400000000, -0.0003996100000000, 0.0027701800000000 ] - [ -0.0002902600000000, -0.0006961000000000, -0.0004998300000000 ] - [ 0.0006685000000000, 0.0014348000000000, -0.0002598400000000 ] - [ -0.0006036600000000, -0.0010063300000000, 0.0000183100000000 ] - [ -0.0066333200000000, 0.0005116300000000, 0.0095449500000000 ] - [ -0.0038869800000000, 0.0014879500000000, 0.0055083200000000 ] - [ -0.0002450500000000, -0.0003228200000000, 0.0030250300000000 ] - [ -0.0006056800000000, -0.0016673300000000, 0.0006182700000000 ] - [ -0.0000612800000000, 0.0057344100000000, -0.0016002900000000 ] - [ 0.0003474400000000, -0.0001811100000000, -0.0004081200000000 ] - [ 0.0005936800000000, -0.0009345900000000, -0.0000169100000000 ] - [ -0.0008335400000000, -0.0004793600000000, 0.0003708900000000 ] - [ 0.0000115900000000, -0.0003215000000000, 0.0018089400000000 ] - [ 0.0002270900000000, 0.0005656400000000, -0.0003472000000000 ] - [ -0.0000191500000000, -0.0001735100000000, 0.0003812200000000 ] - [ -0.0000076200000000, -0.0001656600000000, 0.0006034700000000 ] - [ 0.0000610600000000, -0.0005136300000000, 0.0004973300000000 ] - [ -0.0010549200000000, -0.0006777400000000, 0.0019678200000000 ] - [ 0.0005260600000000, 0.0014412300000000, 0.0001266000000000 ] - [ 0.0068744900000000, -0.0002938400000000, 0.0148597100000000 ] - [ -0.0000870700000000, -0.0003507400000000, 0.0000170800000000 ] - [ 0.0000541400000000, -0.0003372100000000, -0.0000001900000000 ] - [ -0.0000294600000000, -0.0005372000000000, 0.0002225100000000 ] - [ 0.0001240300000000, -0.0015276100000000, 0.0004690400000000 ] - [ 0.0003605400000000, -0.0000404900000000, -0.0004089800000000 ] - [ -0.0005286100000000, 0.0031762200000000, 0.0038868800000000 ] - [ 0.0005403500000000, 0.0024188700000000, 0.0039219300000000 ] - [ 0.0003606700000000, -0.0008848600000000, 0.0000736500000000 ] - [ -0.0031980200000000, -0.0225131800000000, 0.0186132100000000 ] - [ 0.0002118100000000, -0.0012567300000000, -0.0008817700000000 ] - [ 0.0001777700000000, -0.0012400900000000, 0.0002786500000000 ] - [ 0.0178888900000000, -0.0410419000000000, -0.2162223100000000 ] - [ 0.0007170300000000, -0.0034588200000000, -0.0039036000000000 ] - [ 0.0001388200000000, -0.0004797000000000, 0.0041883500000000 ] - [ -0.0003864600000000, 0.0004798700000000, 0.0007457300000000 ] - [ 0.0000907600000000, -0.0100556400000000, -0.0294351500000000 ] - [ 0.0029699700000000, -0.0006479900000000, -0.0027715500000000 ] - [ -0.0006540000000000, -0.0032704200000000, -0.0041621200000000 ] - [ -0.0004264700000000, -0.0033731500000000, -0.0013175400000000 ] - [ -0.0001304900000000, 0.0064616900000000, 0.0054320200000000 ] - [ -0.0002797200000000, 0.0028542700000000, 0.0033204300000000 ] - [ -0.0002563800000000, -0.0004569900000000, -0.0013995000000000 ] - [ 0.0008590700000000, -0.0014432000000000, -0.0004617000000000 ] - [ 0.0000030500000000, -0.0032588300000000, -0.0043355100000000 ] - [ 0.0007115200000000, -0.0000453700000000, 0.0004055500000000 ] - [ -0.0002292400000000, -0.0009510800000000, 0.0031472000000000 ] - [ -0.0055904200000000, -0.0276564000000000, 0.0113822300000000 ] - [ -0.0004108900000000, -0.0006626700000000, -0.0002869800000000 ] - [ -0.0001588700000000, 0.0011710000000000, 0.0003402900000000 ] - [ 0.0004693000000000, -0.0007441400000000, -0.0005400100000000 ] - [ -0.0006230000000000, -0.0013777700000000, -0.0020463000000000 ] - [ -0.0002343700000000, -0.0012419600000000, -0.0005779600000000 ] - [ 0.0002406000000000, 0.0003700400000000, 0.0004479100000000 ] - [ 0.0001757800000000, 0.0008379000000000, 0.0005007800000000 ] - [ -0.0006378400000000, -0.0019211900000000, 0.0005146600000000 ] - [ -0.0008655600000000, 0.0001687100000000, -0.0002245300000000 ] - [ -0.0003236700000000, -0.0001646700000000, -0.0006698800000000 ] - [ 0.0002203500000000, 0.0002974200000000, 0.0012204800000000 ] - [ 0.0001702400000000, 0.0062535200000000, -0.0001696700000000 ] - [ 0.0007919300000000, 0.0025028300000000, -0.0012672600000000 ] - [ -0.0005218700000000, -0.0006033300000000, 0.0001411100000000 ] - [ -0.0013350200000000, -0.0019969900000000, 0.0011921000000000 ] - [ 0.0009186600000000, -0.0030881700000000, 0.0005826600000000 ] - [ 0.0004220500000000, 0.0019686800000000, -0.0001602000000000 ] - [ 0.0084606500000000, -0.0159964400000000, 0.0309898600000000 ] - [ -0.0002649500000000, 0.0000957100000000, -0.0007149300000000 ] - [ 0.0011798800000000, 0.0001120500000000, 0.0016003800000000 ] - [ 0.0494718600000000, 0.0302567700000000, 0.0605224700000000 ] - [ -0.0001365300000000, 0.0003949700000000, -0.0006290100000000 ] - [ 0.0008263400000000, 0.0086823300000000, 0.0075570500000000 ] - [ -0.0008641000000000, 0.0017652100000000, 0.0008579500000000 ] - [ -0.0001615800000000, 0.0030569700000000, -0.0066890900000000 ] - [ -0.0036854100000000, 0.0019142700000000, -0.0004030700000000 ] - [ -0.0010993800000000, 0.0010248000000000, 0.0029809900000000 ] - [ -0.0000161500000000, -0.0004308700000000, -0.0023465900000000 ] - [ 0.0006835400000000, -0.0002050000000000, -0.0010522600000000 ] - [ 0.0001216500000000, -0.0012521100000000, -0.0016776400000000 ] - [ 0.0007353500000000, 0.0006182800000000, -0.0016703100000000 ] - [ 0.0066375600000000, -0.0011007200000000, 0.0058937600000000 ] - [ 0.0003797400000000, 0.0013712400000000, 0.0014455500000000 ] - [ 0.0049578600000000, 0.0019095400000000, 0.0009383500000000 ] - [ -0.0003430000000000, -0.0002056300000000, -0.0032126700000000 ] - [ -0.0000551700000000, -0.0013982200000000, -0.0016861000000000 ] - [ -0.0005432700000000, 0.0002498500000000, -0.0001781600000000 ] - [ 0.0001921900000000, 0.0008505400000000, 0.0004115200000000 ] - [ 0.0006735600000000, -0.0009323900000000, 0.0006064800000000 ] - [ 0.0011102800000000, -0.0015450300000000, -0.0012558800000000 ] - [ -0.0009311100000000, -0.0002798300000000, -0.0003683900000000 ] - [ -0.0004236700000000, 0.0005508200000000, 0.0000073900000000 ] - [ -0.0010810800000000, -0.0007076500000000, 0.0014747400000000 ] - [ 0.0003136900000000, 0.0008220500000000, -0.0003251300000000 ] - [ -0.0093277800000000, -0.0008879600000000, 0.0056602600000000 ] - [ -0.0002970700000000, 0.0011396000000000, 0.0001200400000000 ] - [ -0.0005215400000000, -0.0011514300000000, -0.0004540700000000 ] - [ 0.0002051700000000, -0.0009067400000000, 0.0007607300000000 ] - [ -0.0002094400000000, 0.0009512400000000, -0.0033326800000000 ] - [ -0.0008290700000000, 0.0009165400000000, -0.0004212300000000 ] - [ -0.0016858700000000, 0.0016324200000000, 0.0006879000000000 ] - [ 0.0002576500000000, 0.0000005500000000, 0.0008365600000000 ] - [ 0.0006023800000000, 0.0001020200000000, -0.0012286300000000 ] - [ 0.0005230000000000, -0.0038551700000000, -0.0044453100000000 ] - [ -0.0003539300000000, -0.0007755800000000, -0.0004890000000000 ] - [ -0.0004622900000000, 0.0003470800000000, 0.0007036700000000 ] - [ -0.0000622900000000, -0.0010960000000000, -0.0016183900000000 ] - [ -0.0003839200000000, 0.0007227800000000, -0.0008675200000000 ] - [ -0.0014342100000000, -0.0018080800000000, 0.0072511400000000 ] - [ 0.0008550200000000, -0.0029264100000000, -0.0031384800000000 ] - [ 0.0001181500000000, 0.0006323600000000, 0.0004481900000000 ] - [ -0.0017575300000000, 0.0121907600000000, 0.0109835600000000 ] - [ 0.0002953500000000, -0.0008946200000000, -0.0016521200000000 ] - [ 0.0015307500000000, -0.0012264200000000, -0.0021909600000000 ] - [ -0.0685063600000000, 0.0185355100000000, 0.0860630800000000 ] - [ -0.0009631000000000, 0.0000441500000000, 0.0028122900000000 ] - [ 0.0002112500000000, -0.0015996400000000, -0.0008414100000000 ] - [ -0.0002641500000000, -0.0001133700000000, 0.0001010300000000 ] - [ -0.0000035200000000, 0.0001217100000000, 0.0007527600000000 ] - [ -0.0003803500000000, 0.0006852600000000, 0.0020741200000000 ] - [ -0.0001539400000000, 0.0000549300000000, -0.0001369700000000 ] - [ 0.0001563900000000, -0.0002987700000000, 0.0010931500000000 ] - [ 0.0003270200000000, 0.0010434500000000, -0.0004590000000000 ] - [ -0.0004633000000000, 0.0013738200000000, 0.0000928000000000 ] - [ -0.0003988200000000, 0.0016656200000000, -0.0053529200000000 ] - [ 0.0004108600000000, -0.0004617500000000, -0.0005264900000000 ] - [ 0.0001845500000000, 0.0001783100000000, 0.0001299700000000 ] - [ 0.0000561900000000, 0.0004539100000000, 0.0003159400000000 ] - [ -0.0002829200000000, 0.0001060000000000, 0.0001825100000000 ] - [ -0.0000781700000000, -0.0002510400000000, -0.0005403600000000 ] - [ -0.0002979900000000, -0.0000479400000000, -0.0001935900000000 ] - [ 0.0000012000000000, 0.0002621600000000, 0.0008811100000000 ] - [ 0.0000746100000000, -0.0004023300000000, -0.0004493000000000 ] - [ -0.0002532200000000, 0.0003127600000000, 0.0002462700000000 ] - [ 0.0007525100000000, 0.0007110000000000, -0.0001077200000000 ] - [ 0.0005735200000000, 0.0008789000000000, 0.0003547000000000 ] - [ 0.0004203900000000, 0.0014592800000000, 0.0003563200000000 ] - [ 0.0003596300000000, 0.0004629900000000, -0.0001424800000000 ] - [ 0.0002362900000000, -0.0007680500000000, -0.0010092000000000 ] - [ -0.0000277400000000, 0.0002254900000000, -0.0003325900000000 ] - [ -0.0001092800000000, 0.0004352600000000, -0.0000395000000000 ] - [ -0.0000779700000000, 0.0003543600000000, 0.0003677500000000 ] - [ -0.0006719700000000, 0.0014140000000000, 0.0000966200000000 ] - [ -0.0001373800000000, -0.0001382100000000, -0.0016902800000000 ] - [ 0.0006241100000000, -0.0022464500000000, -0.0000441700000000 ] - [ 0.0009395700000000, -0.0004527600000000, -0.0001247400000000 ] - [ 0.0059540000000000, 0.0031691000000000, -0.0008743900000000 ] - [ 0.0005049600000000, -0.0001755900000000, -0.0027098800000000 ] - [ -0.0001921500000000, -0.0005304600000000, -0.0000190000000000 ] - [ 0.0001163900000000, 0.0006883800000000, 0.0008504700000000 ] - [ -0.0001114000000000, 0.0007026300000000, 0.0002760200000000 ] - [ -0.0003216800000000, 0.0006687100000000, -0.0016527700000000 ] - [ -0.0000779100000000, 0.0001556500000000, 0.0010834600000000 ] - [ 0.0004424500000000, -0.0017792700000000, -0.0006810900000000 ] - [ 0.0001566100000000, 0.0006936000000000, -0.0001010300000000 ] - [ -0.0053184300000000, 0.0048114500000000, -0.0014709000000000 ] - [ -0.0005792600000000, 0.0010578100000000, 0.0002425600000000 ] - [ 0.0002601500000000, 0.0005021000000000, -0.0018316200000000 ] - [ 0.0000116700000000, 0.0002932400000000, 0.0003337400000000 ] - [ 0.0003036900000000, -0.0001384500000000, -0.0000995800000000 ] - [ -0.0002139600000000, 0.0004003500000000, 0.0000196000000000 ] - [ -0.0001028800000000, 0.0001396100000000, -0.0005907200000000 ] - [ 0.0002947700000000, 0.0002357100000000, -0.0005587800000000 ] - [ -0.0002109300000000, 0.0015021400000000, -0.0026436800000000 ] - [ -0.0002806400000000, 0.0002232200000000, 0.0003419800000000 ] - [ 0.0003015000000000, -0.0001927700000000, -0.0006434600000000 ] - [ 0.0000111600000000, 0.0003053100000000, -0.0011160400000000 ] - [ -0.0001135500000000, 0.0007690400000000, -0.0003606300000000 ] - [ 0.0000139400000000, 0.0001231000000000, -0.0000578100000000 ] - [ -0.0001086900000000, 0.0005072200000000, 0.0008714700000000 ] - [ 0.0001457700000000, 0.0004016800000000, -0.0001962500000000 ] - [ 0.0002736300000000, 0.0010214700000000, -0.0000197800000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000764400000000, -0.0054939600000000, 0.0018767300000000 ] - [ -0.0039590500000000, -0.0040569600000000, -0.0087431300000000 ] - [ -0.0008432000000000, 0.0019056900000000, -0.0006150400000000 ] - [ -0.0002198700000000, 0.0007342700000000, -0.0004447600000000 ] - [ 0.0004666800000000, -0.0012508300000000, 0.0004487700000000 ] - [ -0.0002271800000000, -0.0121753500000000, 0.0076086200000000 ] - [ -0.0015574500000000, -0.0115831100000000, 0.0015563100000000 ] - [ -0.0001927600000000, 0.0003800500000000, -0.0016594800000000 ] - [ -0.0004482400000000, 0.0006061900000000, -0.0004881700000000 ] - [ 0.0006214800000000, -0.0001323500000000, 0.0002837200000000 ] - [ -0.0006887700000000, -0.0002805900000000, 0.0000060100000000 ] - [ 0.0066289400000000, -0.0005216700000000, -0.0095728400000000 ] - [ 0.0038999900000000, -0.0014539700000000, -0.0054724900000000 ] - [ 0.0002362600000000, 0.0003054500000000, -0.0024033800000000 ] - [ 0.0005240700000000, 0.0016287400000000, -0.0006455400000000 ] - [ 0.0007967000000000, -0.0056075000000000, 0.0006054600000000 ] - [ 0.0003907100000000, 0.0000850700000000, -0.0005741100000000 ] - [ 0.0006985500000000, -0.0003527400000000, 0.0000429400000000 ] - [ -0.0004569300000000, 0.0017742800000000, -0.0003454400000000 ] - [ -0.0007468900000000, 0.0004256800000000, -0.0027881000000000 ] - [ -0.0001462100000000, -0.0005817200000000, 0.0003320500000000 ] - [ 0.0000189600000000, 0.0001791900000000, 0.0002293600000000 ] - [ 0.0000081600000000, 0.0001713700000000, 0.0005031600000000 ] - [ -0.0000618200000000, 0.0005189000000000, 0.0006091400000000 ] - [ 0.0003101200000000, 0.0005815200000000, -0.0029469300000000 ] - [ 0.0007645300000000, -0.0001447100000000, -0.0000906200000000 ] - [ -0.0082780600000000, -0.0009997500000000, -0.0149797500000000 ] - [ 0.0000087300000000, 0.0003826500000000, -0.0000331600000000 ] - [ 0.0000242500000000, 0.0003690500000000, -0.0000138900000000 ] - [ 0.0000299600000000, 0.0005419100000000, 0.0003875100000000 ] - [ -0.0002042600000000, 0.0015011800000000, -0.0004811400000000 ] - [ 0.0003779800000000, 0.0001427300000000, -0.0005729500000000 ] - [ -0.0000961000000000, -0.0032732700000000, -0.0047068000000000 ] - [ 0.0009541200000000, -0.0042942300000000, -0.0037965600000000 ] - [ 0.0002612200000000, 0.0010158500000000, -0.0009392400000000 ] - [ 0.0047735400000000, 0.0240136800000000, -0.0187487200000000 ] - [ 0.0001414200000000, 0.0000525800000000, -0.0008482000000000 ] - [ 0.0004443300000000, 0.0011196100000000, -0.0011409100000000 ] - [ -0.0197889700000000, 0.0420712500000000, 0.2188343800000000 ] - [ -0.0010730800000000, 0.0046889100000000, 0.0021739500000000 ] - [ 0.0008164100000000, 0.0004684800000000, -0.0052806600000000 ] - [ -0.0005700700000000, -0.0004860700000000, -0.0018540800000000 ] - [ -0.0004598000000000, 0.0086808800000000, 0.0275211700000000 ] - [ -0.0020015300000000, 0.0006639600000000, 0.0016529800000000 ] - [ 0.0010141000000000, 0.0045270000000000, 0.0024540900000000 ] - [ -0.0010785900000000, 0.0014568800000000, 0.0013554900000000 ] - [ -0.0013721800000000, -0.0047023800000000, -0.0053310500000000 ] - [ -0.0003412800000000, -0.0027008500000000, -0.0041567600000000 ] - [ -0.0003674100000000, 0.0003450200000000, 0.0005468400000000 ] - [ 0.0006366000000000, -0.0004014800000000, 0.0005478000000000 ] - [ 0.0006483500000000, 0.0034311800000000, 0.0034606400000000 ] - [ 0.0007827300000000, 0.0019152900000000, -0.0003168300000000 ] - [ 0.0005841000000000, -0.0002910300000000, -0.0048613100000000 ] - [ 0.0061839900000000, 0.0277110800000000, -0.0123538600000000 ] - [ -0.0005451200000000, 0.0006693600000000, -0.0008272200000000 ] - [ -0.0001945900000000, 0.0000464900000000, -0.0020631300000000 ] - [ 0.0004872500000000, 0.0007539500000000, -0.0005759500000000 ] - [ -0.0003327700000000, 0.0013886000000000, 0.0009298400000000 ] - [ -0.0001194200000000, 0.0000324600000000, -0.0011497100000000 ] - [ 0.0007135600000000, -0.0003534500000000, -0.0015534200000000 ] - [ 0.0001802100000000, 0.0003929000000000, -0.0022194500000000 ] - [ -0.0008566800000000, 0.0000724100000000, -0.0004238000000000 ] - [ -0.0006291000000000, 0.0017053100000000, 0.0003106900000000 ] - [ -0.0002952400000000, 0.0003098400000000, -0.0001839600000000 ] - [ 0.0003338900000000, -0.0014498500000000, -0.0006990800000000 ] - [ -0.0007331500000000, -0.0074865200000000, 0.0007140000000000 ] - [ -0.0009618500000000, -0.0031482900000000, 0.0030212100000000 ] - [ -0.0003939500000000, -0.0011959000000000, 0.0007265100000000 ] - [ 0.0010155200000000, 0.0020073700000000, -0.0009038100000000 ] - [ -0.0007503500000000, 0.0024027000000000, 0.0011327200000000 ] - [ 0.0002030700000000, -0.0011148900000000, -0.0001995500000000 ] - [ -0.0097368500000000, 0.0191528700000000, -0.0310812500000000 ] - [ -0.0003781400000000, -0.0006553100000000, -0.0005720800000000 ] - [ -0.0004600200000000, -0.0006846700000000, -0.0017391600000000 ] - [ -0.0512010100000000, -0.0314869000000000, -0.0611575800000000 ] - [ 0.0004386800000000, -0.0003293600000000, 0.0009022300000000 ] - [ -0.0014194500000000, -0.0082945300000000, -0.0062443900000000 ] - [ 0.0006123200000000, -0.0021870400000000, -0.0011423400000000 ] - [ -0.0004791100000000, -0.0037780300000000, 0.0062775900000000 ] - [ 0.0036845900000000, -0.0018876700000000, 0.0023966100000000 ] - [ 0.0013077000000000, -0.0017324800000000, -0.0032067500000000 ] - [ -0.0002935100000000, 0.0003824000000000, 0.0026007900000000 ] - [ 0.0010560800000000, 0.0013587300000000, 0.0005360800000000 ] - [ 0.0010061600000000, 0.0025654300000000, 0.0021788300000000 ] - [ 0.0001848400000000, 0.0011813100000000, 0.0025167800000000 ] - [ -0.0058168400000000, 0.0016780300000000, -0.0059369200000000 ] - [ 0.0002165900000000, -0.0009784100000000, -0.0001640000000000 ] - [ -0.0049715400000000, -0.0018829200000000, -0.0012925800000000 ] - [ 0.0000934700000000, 0.0006223500000000, 0.0029113400000000 ] - [ -0.0001339900000000, 0.0006990200000000, 0.0014134400000000 ] - [ -0.0005907600000000, -0.0015740400000000, 0.0006937500000000 ] - [ 0.0000559800000000, 0.0001809200000000, 0.0001782700000000 ] - [ 0.0004592500000000, -0.0003952300000000, -0.0000952200000000 ] - [ 0.0006349200000000, 0.0003761300000000, 0.0007388600000000 ] - [ -0.0008111000000000, -0.0008819300000000, -0.0001412400000000 ] - [ -0.0002954200000000, 0.0000162100000000, -0.0001497700000000 ] - [ 0.0008297600000000, -0.0003332500000000, -0.0008795600000000 ] - [ -0.0001243400000000, -0.0001000800000000, 0.0020901000000000 ] - [ 0.0089785100000000, 0.0019416100000000, -0.0049795500000000 ] - [ -0.0002575500000000, -0.0000062300000000, 0.0004089000000000 ] - [ 0.0005360800000000, 0.0011607500000000, 0.0023864800000000 ] - [ 0.0007098000000000, -0.0009139500000000, 0.0000929300000000 ] - [ 0.0004021000000000, -0.0002229300000000, 0.0030598700000000 ] - [ -0.0009148400000000, 0.0002425500000000, -0.0000880600000000 ] - [ 0.0005751800000000, -0.0003148100000000, -0.0001777300000000 ] - [ 0.0003403700000000, -0.0004154500000000, 0.0004520500000000 ] - [ -0.0003464900000000, -0.0005094900000000, 0.0009442400000000 ] - [ 0.0000930000000000, 0.0030509500000000, 0.0041127600000000 ] - [ -0.0002698700000000, 0.0016253600000000, 0.0001090500000000 ] - [ 0.0007161700000000, -0.0013972800000000, -0.0001098500000000 ] - [ 0.0007027500000000, 0.0016427600000000, 0.0003212000000000 ] - [ -0.0002585700000000, -0.0001683400000000, -0.0004169700000000 ] - [ 0.0008342900000000, 0.0013966800000000, -0.0059250800000000 ] - [ -0.0002070800000000, 0.0023422000000000, 0.0018231300000000 ] - [ -0.0008445300000000, -0.0012129500000000, -0.0005849200000000 ] - [ 0.0015572300000000, -0.0115624600000000, -0.0109054800000000 ] - [ -0.0003057900000000, 0.0009044700000000, 0.0012569100000000 ] - [ -0.0017009800000000, 0.0019124300000000, 0.0038923300000000 ] - [ 0.0721591000000000, -0.0191245100000000, -0.0882296000000000 ] - [ 0.0015121300000000, 0.0011349600000000, -0.0022751900000000 ] - [ 0.0003418600000000, 0.0004563600000000, 0.0013545000000000 ] - [ -0.0002903800000000, -0.0010364000000000, 0.0004198200000000 ] - [ -0.0001739100000000, -0.0008212700000000, 0.0009992300000000 ] - [ -0.0005426600000000, -0.0024903000000000, -0.0012076200000000 ] - [ -0.0001515900000000, -0.0000004100000000, 0.0004111900000000 ] - [ 0.0000208600000000, -0.0004026900000000, 0.0006598000000000 ] - [ 0.0002961700000000, -0.0001961700000000, 0.0000858500000000 ] - [ -0.0004532200000000, 0.0004221100000000, 0.0007750200000000 ] - [ -0.0002335800000000, -0.0022412000000000, 0.0040039000000000 ] - [ 0.0003080600000000, -0.0001094600000000, 0.0003791600000000 ] - [ 0.0001192600000000, -0.0002416000000000, 0.0001442000000000 ] - [ 0.0002491200000000, -0.0003979000000000, -0.0000389100000000 ] - [ -0.0003140500000000, 0.0002956900000000, 0.0011031500000000 ] - [ -0.0001749500000000, -0.0001656100000000, 0.0002584800000000 ] - [ -0.0003256300000000, -0.0008080000000000, -0.0001795900000000 ] - [ -0.0000012800000000, -0.0002646200000000, 0.0010703100000000 ] - [ 0.0001165700000000, -0.0003096100000000, 0.0001819200000000 ] - [ -0.0000506200000000, -0.0003767700000000, 0.0000281800000000 ] - [ 0.0009893100000000, 0.0004447000000000, -0.0004042100000000 ] - [ 0.0005583000000000, 0.0004383400000000, 0.0001573000000000 ] - [ 0.0004959600000000, 0.0003338500000000, 0.0005112400000000 ] - [ 0.0003590700000000, 0.0001048400000000, -0.0000018900000000 ] - [ 0.0003600900000000, 0.0011629600000000, 0.0022851300000000 ] - [ 0.0000273400000000, -0.0002276500000000, -0.0000536100000000 ] - [ -0.0001435100000000, -0.0000262600000000, -0.0002406300000000 ] - [ -0.0001131900000000, -0.0010638700000000, -0.0006316200000000 ] - [ -0.0004580600000000, -0.0027460300000000, 0.0004174600000000 ] - [ 0.0003907500000000, 0.0011719000000000, 0.0022831900000000 ] - [ 0.0005092800000000, 0.0009091000000000, 0.0005540000000000 ] - [ 0.0008034400000000, -0.0007130300000000, -0.0003873300000000 ] - [ -0.0076999100000000, -0.0043545000000000, 0.0003718900000000 ] - [ -0.0012235400000000, 0.0007429200000000, 0.0025718100000000 ] - [ -0.0000567500000000, -0.0005052000000000, 0.0006059200000000 ] - [ 0.0000600700000000, 0.0000038700000000, 0.0009013600000000 ] - [ -0.0001363900000000, 0.0003296100000000, 0.0003119500000000 ] - [ -0.0002278300000000, 0.0005030700000000, 0.0021591200000000 ] - [ 0.0000780700000000, -0.0001595800000000, 0.0008691200000000 ] - [ 0.0004733800000000, -0.0000355300000000, 0.0015357500000000 ] - [ 0.0000336000000000, 0.0000047300000000, -0.0001608700000000 ] - [ 0.0035142600000000, -0.0036166900000000, 0.0009557400000000 ] - [ -0.0005529600000000, 0.0002615300000000, 0.0002709700000000 ] - [ 0.0003367400000000, -0.0009029800000000, 0.0031102300000000 ] - [ 0.0002409200000000, -0.0007073300000000, -0.0006098400000000 ] - [ 0.0003202200000000, -0.0007180500000000, -0.0002727000000000 ] - [ -0.0004092700000000, 0.0004437000000000, -0.0003908100000000 ] - [ 0.0003511900000000, -0.0011747200000000, 0.0011781900000000 ] - [ 0.0003474100000000, 0.0003178700000000, -0.0007368300000000 ] - [ -0.0004365500000000, -0.0009487900000000, 0.0013477700000000 ] - [ -0.0003170600000000, -0.0006316900000000, 0.0009444000000000 ] - [ 0.0003417500000000, -0.0003675200000000, -0.0006496800000000 ] - [ -0.0007296900000000, -0.0008780100000000, 0.0009689600000000 ] - [ -0.0000763000000000, -0.0000687900000000, 0.0000968500000000 ] - [ -0.0000143800000000, -0.0001265300000000, -0.0003266500000000 ] - [ -0.0000680300000000, 0.0001841400000000, 0.0008813100000000 ] - [ 0.0001072200000000, 0.0000081400000000, -0.0000843800000000 ] - [ 0.0002807600000000, 0.0001139400000000, 0.0005464000000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003724000000000, -0.0013276900000000, 0.0002557700000000 ] - [ 0.0006735700000000, -0.0006225300000000, -0.0000493500000000 ] - [ -0.0006440000000000, 0.0006596800000000, 0.0000164900000000 ] - [ -0.0003666000000000, 0.0000479900000000, -0.0004923200000000 ] - [ 0.0000402800000000, 0.0000185200000000, -0.0000094800000000 ] - [ -0.0000043800000000, 0.0000289200000000, 0.0003132800000000 ] - [ 0.0000044200000000, 0.0000337600000000, 0.0005585700000000 ] - [ -0.0000016500000000, 0.0000096500000000, 0.0005479900000000 ] - [ -0.0003580700000000, -0.0000268200000000, -0.0004654400000000 ] - [ -0.0011543100000000, -0.0015706100000000, 0.0024289700000000 ] - [ -0.0004448900000000, -0.0002287800000000, -0.0000158900000000 ] - [ -0.0000405600000000, 0.0000296800000000, 0.0000213600000000 ] - [ 0.0000390000000000, 0.0000228100000000, 0.0000004000000000 ] - [ 0.0000001700000000, 0.0000116500000000, 0.0002990800000000 ] - [ -0.0000361400000000, 0.0000013100000000, -0.0000070900000000 ] - [ -0.0002859000000000, 0.0018559900000000, -0.0013776000000000 ] - [ 0.0003578400000000, -0.0000373400000000, -0.0005180700000000 ] - [ 0.0006561100000000, -0.0006700000000000, -0.0000316000000000 ] - [ -0.0007530700000000, 0.0006127200000000, 0.0001215000000000 ] - [ -0.0003852100000000, 0.0000262700000000, -0.0004508000000000 ] - [ 0.0002012900000000, 0.0009528300000000, -0.0012168900000000 ] - [ -0.0008675600000000, -0.0002944700000000, -0.0003491400000000 ] - [ 0.0004603400000000, 0.0000173900000000, 0.0013433900000000 ] - [ -0.0002258600000000, -0.0003794500000000, 0.0016699700000000 ] - [ -0.0003576700000000, -0.0000628900000000, -0.0004515800000000 ] - [ 0.0006423000000000, 0.0006714200000000, 0.0000140200000000 ] - [ -0.0006328700000000, -0.0006311100000000, 0.0000628700000000 ] - [ -0.0001587600000000, -0.0001958500000000, -0.0001037500000000 ] - [ 0.0000367600000000, 0.0000606900000000, -0.0000884100000000 ] - [ -0.0001024000000000, 0.0007452300000000, -0.0011750200000000 ] - [ 0.0001667700000000, -0.0001364000000000, -0.0001826000000000 ] - [ 0.0003747300000000, 0.0000619500000000, -0.0005156400000000 ] - [ -0.0004548300000000, -0.0007798200000000, -0.0005368300000000 ] - [ 0.0007483500000000, -0.0009038200000000, 0.0000572100000000 ] - [ 0.0002984800000000, 0.0000959500000000, -0.0004317500000000 ] - [ 0.0007483500000000, 0.0009784000000000, 0.0000212500000000 ] - [ 0.0002245700000000, -0.0008531100000000, -0.0005194400000000 ] - [ 0.0003134900000000, -0.0000904700000000, -0.0004272300000000 ] - [ -0.0004444400000000, 0.0001550900000000, -0.0006110500000000 ] - [ 0.0106569800000000, -0.0073069000000000, -0.0095861500000000 ] - [ 0.0004796400000000, -0.0000000900000000, -0.0005677700000000 ] - [ -0.0004800100000000, 0.0000221200000000, -0.0005583400000000 ] - [ -0.0003978900000000, -0.0005359200000000, -0.0008332000000000 ] - [ 0.0004798300000000, 0.0000553200000000, -0.0005348300000000 ] - [ 0.0001779800000000, 0.0006685300000000, -0.0008388300000000 ] - [ -0.0007491300000000, -0.0008738800000000, 0.0000248100000000 ] - [ -0.0007445400000000, 0.0009675000000000, 0.0000569700000000 ] - [ -0.0001899300000000, -0.0000048400000000, -0.0007644000000000 ] - [ -0.0003947700000000, 0.0001673000000000, -0.0004515900000000 ] - [ -0.0132397300000000, 0.0027054600000000, -0.0029796800000000 ] - [ 0.0003287000000000, -0.0000567700000000, -0.0003677000000000 ] - [ 0.0008880000000000, 0.0010472000000000, -0.0002833100000000 ] - [ 0.0001624800000000, -0.0006390800000000, -0.0008675700000000 ] - [ 0.0003363300000000, 0.0001917000000000, 0.0004402800000000 ] - [ -0.0003224200000000, -0.0001083100000000, -0.0006206100000000 ] - [ -0.0001732100000000, 0.0006295000000000, -0.0008744300000000 ] - [ 0.0007232800000000, 0.0009952400000000, -0.0010141900000000 ] - [ -0.0043866100000000, -0.0014604600000000, -0.0017815400000000 ] - [ -0.0002132800000000, -0.0006091600000000, -0.0009390900000000 ] - [ 0.0000097400000000, -0.0000946200000000, -0.0005083400000000 ] - [ 0.0003314000000000, 0.0007480700000000, -0.0008553500000000 ] - [ -0.0008324300000000, -0.0009651300000000, -0.0000981300000000 ] - [ 0.0196802000000000, 0.0193449800000000, 0.0077345900000000 ] - [ -0.0002869300000000, 0.0001317200000000, -0.0004159800000000 ] - [ -0.0366185800000000, -0.0119531700000000, -0.0005526600000000 ] - [ -0.0002758600000000, -0.0006017700000000, 0.0002495100000000 ] - [ -0.0000851500000000, -0.0003636800000000, 0.0008828600000000 ] - [ -0.0004572200000000, -0.0009180800000000, 0.0004307600000000 ] - [ -0.0001483900000000, 0.0000020500000000, 0.0001337800000000 ] - [ 0.0000856000000000, -0.0003664200000000, 0.0008724900000000 ] - [ 0.0003116100000000, 0.0004093600000000, -0.0001861300000000 ] - [ -0.0004968600000000, 0.0006665000000000, 0.0003965900000000 ] - [ -0.0003142300000000, -0.0002695700000000, -0.0006477200000000 ] - [ 0.0041186200000000, -0.0108120600000000, -0.0033446800000000 ] - [ 0.0001264600000000, -0.0000739300000000, 0.0001214300000000 ] - [ 0.0001455500000000, 0.0000144000000000, 0.0001381200000000 ] - [ -0.0013786000000000, -0.0009203900000000, -0.0002450500000000 ] - [ -0.0001345300000000, -0.0002233300000000, -0.0001469400000000 ] - [ -0.0003212000000000, -0.0004399800000000, -0.0001818000000000 ] - [ -0.0000027800000000, -0.0000126400000000, 0.0009685300000000 ] - [ 0.0000963400000000, -0.0003837300000000, -0.0001370500000000 ] - [ -0.0001425800000000, -0.0000266900000000, 0.0001402400000000 ] - [ 0.0003976600000000, 0.0005937500000000, -0.0001724000000000 ] - [ 0.0005549800000000, 0.0006835000000000, 0.0002968900000000 ] - [ 0.0004892800000000, 0.0009148800000000, 0.0004602400000000 ] - [ 0.0003598300000000, 0.0002095000000000, -0.0001468600000000 ] - [ 0.0003092600000000, 0.0001481400000000, 0.0005946700000000 ] - [ 0.0000081300000000, -0.0000117000000000, -0.0001777800000000 ] - [ -0.0001275900000000, 0.0002010900000000, -0.0001286800000000 ] - [ -0.0000962900000000, -0.0003588700000000, -0.0001255300000000 ] - [ -0.0005673000000000, -0.0006652800000000, 0.0002639900000000 ] - [ 0.0002117900000000, 0.0006873900000000, 0.0001784900000000 ] - [ 0.0005697400000000, -0.0006919700000000, 0.0002616400000000 ] - [ 0.0009102200000000, -0.0006023900000000, -0.0001537500000000 ] - [ -0.0008514900000000, -0.0005598900000000, -0.0002529300000000 ] - [ -0.0003566400000000, 0.0002591900000000, -0.0000682900000000 ] - [ 0.0017624600000000, 0.0099734100000000, 0.0045332300000000 ] - [ 0.0000885800000000, 0.0003458500000000, 0.0008937700000000 ] - [ 0.0000087300000000, 0.0005923500000000, 0.0004112700000000 ] - [ 0.0013825400000000, 0.0007442100000000, 0.0005325100000000 ] - [ -0.0000018200000000, -0.0000089100000000, 0.0009567100000000 ] - [ 0.0004541400000000, -0.0009475700000000, 0.0004093900000000 ] - [ 0.0000947100000000, 0.0003446800000000, -0.0001270400000000 ] - [ -0.0008810000000000, 0.0005685600000000, -0.0002538100000000 ] - [ -0.0005801900000000, 0.0006585600000000, 0.0002410800000000 ] - [ 0.0002785200000000, -0.0002360800000000, 0.0006072400000000 ] - [ 0.0001321000000000, -0.0002154300000000, -0.0001356900000000 ] - [ 0.0003157600000000, -0.0004465700000000, -0.0002012500000000 ] - [ -0.0003106500000000, 0.0004075000000000, -0.0001874600000000 ] - [ 0.0001251600000000, -0.0005308700000000, 0.0002910900000000 ] - [ 0.0012675900000000, 0.0003732500000000, 0.0000147400000000 ] - [ -0.0003223100000000, 0.0002741600000000, -0.0006455100000000 ] - [ 0.0000582300000000, -0.0001785100000000, 0.0006181600000000 ] - [ -0.0001990100000000, -0.0002096000000000, -0.0003300600000000 ] - [ -0.0003646800000000, -0.0002957100000000, -0.0000784400000000 ] - [ -0.0000904000000000, 0.0003103800000000, -0.0001069800000000 ] - [ 0.0000037900000000, -0.0000078600000000, -0.0001878800000000 ] - [ -0.0000798800000000, 0.0003362800000000, 0.0008642100000000 ] - [ 0.0001453400000000, 0.0001781100000000, -0.0001557500000000 ] - [ 0.0003021100000000, 0.0004987200000000, 0.0003015900000000 ] - [ 0.0002758500000000, -0.0005868400000000, 0.0002548700000000 ] - [ -0.0003017800000000, -0.0005429300000000, 0.0003154300000000 ] - [ -0.0001893400000000, -0.0003760700000000, 0.0010169000000000 ] - [ -0.0002433000000000, -0.0005648100000000, 0.0005779400000000 ] - [ -0.0000249500000000, 0.0001319700000000, -0.0001807000000000 ] - [ -0.0022540400000000, 0.0036736700000000, 0.0049206600000000 ] - [ 0.0004332900000000, 0.0004268300000000, -0.0001184700000000 ] - [ -0.0004662000000000, 0.0009540300000000, 0.0004320300000000 ] - [ -0.0003203900000000, -0.0002887500000000, -0.0006956300000000 ] - [ 0.0003700900000000, -0.0002985400000000, -0.0000624600000000 ] - [ -0.0000409600000000, -0.0000840600000000, 0.0000598100000000 ] - [ 0.0005585000000000, -0.0002390500000000, 0.0002034600000000 ] - [ -0.0002984400000000, 0.0002024700000000, 0.0006527800000000 ] - [ 0.0000152300000000, -0.0004900900000000, -0.0002918300000000 ] - [ -0.0003419100000000, -0.0004018400000000, -0.0001003200000000 ] - [ 0.0000257700000000, -0.0000059900000000, 0.0009658900000000 ] - [ 0.0001218200000000, -0.0003774100000000, -0.0001382800000000 ] - [ -0.0005472100000000, 0.0000365000000000, 0.0002695100000000 ] - [ 0.0008342600000000, 0.0005172200000000, -0.0002479400000000 ] - [ 0.0005667900000000, 0.0006281700000000, 0.0002653200000000 ] - [ 0.0003961600000000, 0.0005862500000000, 0.0007578900000000 ] - [ 0.0003743600000000, 0.0002895800000000, -0.0000428300000000 ] - [ 0.0003377100000000, 0.0002280200000000, 0.0003560300000000 ] - [ -0.0000275300000000, -0.0000119200000000, -0.0001717700000000 ] - [ -0.0000090900000000, 0.0001059200000000, -0.0001215900000000 ] - [ 0.0032174200000000, -0.0013381700000000, 0.0008767300000000 ] - [ -0.0005206400000000, -0.0005695600000000, 0.0000210000000000 ] - [ 0.0001342900000000, 0.0005505900000000, 0.0002936500000000 ] - [ -0.0011875200000000, 0.0003796200000000, -0.0002141500000000 ] - [ 0.0009034400000000, -0.0006044500000000, -0.0002541200000000 ] - [ -0.0007527700000000, -0.0005522700000000, -0.0003203600000000 ] - [ -0.0003614600000000, 0.0002853100000000, -0.0000875300000000 ] - [ -0.0001298700000000, -0.0005385700000000, 0.0003061600000000 ] - [ 0.0002250700000000, 0.0003471100000000, 0.0010340800000000 ] - [ -0.0001337700000000, 0.0005226900000000, 0.0003230800000000 ] - [ -0.0002739800000000, 0.0005684500000000, 0.0002542400000000 ] - [ 0.0063150300000000, -0.0098185500000000, -0.0058790100000000 ] - [ 0.0005680200000000, -0.0008120600000000, 0.0002957300000000 ] - [ -0.0024245900000000, -0.0029099700000000, 0.0019126200000000 ] - [ -0.0011682500000000, 0.0006377400000000, -0.0003103900000000 ] - [ -0.0005307400000000, 0.0006117900000000, 0.0002450200000000 ] - [ 0.0002706300000000, -0.0001400200000000, 0.0006065400000000 ] - [ 0.0000814900000000, 0.0004082900000000, 0.0005955800000000 ] - [ -0.0003712900000000, 0.0012484100000000, -0.0000581500000000 ] - [ 0.0035491900000000, -0.0008430900000000, 0.0000511800000000 ] - [ 0.0001321100000000, -0.0005240700000000, 0.0002606400000000 ] - [ 0.0003188800000000, 0.0002629400000000, -0.0006330300000000 ] - [ -0.0003470100000000, 0.0003122200000000, -0.0006637500000000 ] - [ -0.0002989200000000, -0.0002158400000000, 0.0006473200000000 ] - [ 0.0003384800000000, -0.0003096000000000, -0.0005649700000000 ] - [ -0.0003820400000000, -0.0003295300000000, -0.0000861600000000 ] - [ -0.0002098300000000, 0.0003645300000000, 0.0001194600000000 ] - [ 0.0111189600000000, 0.0079831800000000, 0.0027462100000000 ] - [ 0.0017728900000000, 0.0001723300000000, 0.0012048200000000 ] - [ 0.0002151100000000, 0.0004443300000000, -0.0001502900000000 ] - [ 0.0002936200000000, 0.0005245100000000, 0.0003433400000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003638400000000, 0.0012301200000000, -0.0012402900000000 ] - [ 0.0006179900000000, -0.0006716000000000, 0.0000772100000000 ] - [ -0.0006468600000000, 0.0006340300000000, 0.0000117600000000 ] - [ -0.0003722700000000, 0.0000523200000000, -0.0004930200000000 ] - [ 0.0000366300000000, -0.0000432000000000, -0.0000058000000000 ] - [ 0.0000048500000000, -0.0000290300000000, 0.0002967100000000 ] - [ -0.0000043100000000, -0.0000339700000000, 0.0005471300000000 ] - [ 0.0000018000000000, -0.0000098600000000, 0.0005577400000000 ] - [ -0.0003800800000000, -0.0000745000000000, -0.0005197500000000 ] - [ 0.0024307100000000, 0.0028671600000000, -0.0023800800000000 ] - [ -0.0008491400000000, -0.0010701000000000, 0.0000438700000000 ] - [ -0.0000357600000000, -0.0000050800000000, -0.0000366600000000 ] - [ 0.0000379700000000, 0.0000021200000000, -0.0000156300000000 ] - [ 0.0000003200000000, -0.0000119000000000, 0.0003113700000000 ] - [ -0.0000403700000000, -0.0000266500000000, -0.0000079100000000 ] - [ 0.0010220400000000, -0.0017512900000000, 0.0003912500000000 ] - [ 0.0003809700000000, -0.0000634000000000, -0.0004682300000000 ] - [ 0.0006363900000000, -0.0006247600000000, 0.0000587600000000 ] - [ -0.0005357600000000, 0.0006835500000000, -0.0000918900000000 ] - [ -0.0003537000000000, 0.0000748000000000, -0.0005348900000000 ] - [ -0.0000771200000000, -0.0009884800000000, 0.0012503900000000 ] - [ 0.0008759600000000, 0.0002954100000000, 0.0009593800000000 ] - [ -0.0004626500000000, -0.0000176700000000, -0.0002437200000000 ] - [ 0.0002311600000000, 0.0003719100000000, -0.0005549100000000 ] - [ -0.0003806700000000, -0.0000375600000000, -0.0005345500000000 ] - [ 0.0006499500000000, 0.0006231700000000, 0.0000135600000000 ] - [ -0.0006582400000000, -0.0006634600000000, -0.0000357500000000 ] - [ 0.0000854100000000, 0.0002160500000000, 0.0000867100000000 ] - [ 0.0000387600000000, -0.0000362000000000, 0.0000715000000000 ] - [ 0.0000926900000000, -0.0007503200000000, 0.0017858600000000 ] - [ -0.0002458100000000, 0.0001129000000000, 0.0001666100000000 ] - [ 0.0003648300000000, 0.0000388300000000, -0.0004704300000000 ] - [ -0.0001642500000000, 0.0006555900000000, -0.0003184900000000 ] - [ 0.0007482400000000, -0.0009560400000000, 0.0000297300000000 ] - [ 0.0003241800000000, 0.0000283000000000, -0.0004263200000000 ] - [ 0.0007480900000000, 0.0008810000000000, 0.0000662800000000 ] - [ 0.0001271400000000, -0.0003730400000000, -0.0012042800000000 ] - [ 0.0003089100000000, -0.0000365600000000, -0.0004303300000000 ] - [ -0.0005125000000000, -0.0001583500000000, -0.0004986900000000 ] - [ -0.0112148000000000, 0.0086217500000000, 0.0080196500000000 ] - [ 0.0004781600000000, -0.0000010300000000, -0.0005428100000000 ] - [ -0.0004775800000000, -0.0000213500000000, -0.0005529600000000 ] - [ 0.0000454700000000, -0.0006818100000000, -0.0008961300000000 ] - [ 0.0004782200000000, -0.0000544300000000, -0.0005758100000000 ] - [ 0.0001745200000000, 0.0005488800000000, -0.0008906100000000 ] - [ -0.0007467300000000, -0.0009861900000000, 0.0000622500000000 ] - [ -0.0007514400000000, 0.0008918900000000, 0.0000301400000000 ] - [ -0.0004339100000000, 0.0001301300000000, -0.0000906200000000 ] - [ -0.0002284600000000, -0.0002887400000000, -0.0004065600000000 ] - [ 0.0147225500000000, -0.0045917400000000, 0.0030581500000000 ] - [ 0.0002931900000000, 0.0001875800000000, -0.0004892000000000 ] - [ 0.0006084900000000, 0.0008117000000000, 0.0003713400000000 ] - [ 0.0001901300000000, -0.0005778400000000, -0.0008624400000000 ] - [ 0.0002818400000000, -0.0003263100000000, -0.0013196400000000 ] - [ -0.0006373400000000, 0.0001077600000000, -0.0004913100000000 ] - [ -0.0001785700000000, 0.0005874900000000, -0.0008559600000000 ] - [ 0.0002465700000000, -0.0009753400000000, -0.0001128500000000 ] - [ 0.0034244900000000, 0.0014820100000000, 0.0006914500000000 ] - [ -0.0001382400000000, -0.0006084000000000, -0.0007920500000000 ] - [ 0.0009520900000000, 0.0000999300000000, -0.0006032000000000 ] - [ 0.0000211800000000, 0.0004692400000000, -0.0008754100000000 ] - [ -0.0006637300000000, -0.0008957800000000, 0.0001847400000000 ] - [ -0.0215193400000000, -0.0176864300000000, -0.0076821300000000 ] - [ -0.0003350000000000, -0.0000056600000000, -0.0004399800000000 ] - [ 0.0377017600000000, 0.0109295200000000, 0.0008900700000000 ] - [ -0.0002773500000000, -0.0005340400000000, 0.0002769300000000 ] - [ -0.0000873500000000, -0.0003352000000000, 0.0008725300000000 ] - [ -0.0004595000000000, -0.0008892800000000, 0.0004337000000000 ] - [ -0.0001460500000000, 0.0000527800000000, 0.0001370200000000 ] - [ 0.0000873600000000, -0.0003323600000000, 0.0008827100000000 ] - [ 0.0003123500000000, 0.0004422000000000, -0.0001898100000000 ] - [ -0.0004190400000000, 0.0011433300000000, 0.0004695900000000 ] - [ -0.0003288700000000, -0.0002907200000000, -0.0006462100000000 ] - [ -0.0033542600000000, 0.0101023400000000, 0.0031532400000000 ] - [ 0.0001690400000000, 0.0000200500000000, 0.0001493400000000 ] - [ 0.0001494200000000, 0.0000402200000000, 0.0001325200000000 ] - [ 0.0007811900000000, 0.0013511100000000, 0.0015305700000000 ] - [ -0.0001241700000000, -0.0001901100000000, -0.0001347500000000 ] - [ -0.0003022400000000, -0.0004111200000000, -0.0001936300000000 ] - [ 0.0000030600000000, 0.0000128900000000, 0.0009702500000000 ] - [ 0.0000943100000000, -0.0003176300000000, -0.0001204500000000 ] - [ -0.0001515900000000, -0.0000273800000000, 0.0001304700000000 ] - [ 0.0013482500000000, 0.0005550200000000, -0.0003371700000000 ] - [ 0.0005779300000000, 0.0006389400000000, 0.0002196300000000 ] - [ 0.0004280800000000, 0.0008931800000000, 0.0004038900000000 ] - [ 0.0003663800000000, 0.0003586900000000, 0.0000037900000000 ] - [ 0.0002879900000000, 0.0002537200000000, 0.0006868900000000 ] - [ -0.0000079300000000, 0.0000119100000000, -0.0001996700000000 ] - [ -0.0001310900000000, 0.0002127400000000, -0.0001529200000000 ] - [ -0.0000935700000000, -0.0003424000000000, -0.0001317700000000 ] - [ -0.0005648900000000, -0.0006568100000000, 0.0002526000000000 ] - [ 0.0000429600000000, 0.0003499600000000, 0.0004106100000000 ] - [ 0.0005631000000000, -0.0006307800000000, 0.0002550800000000 ] - [ 0.0008314200000000, -0.0005470900000000, -0.0003560200000000 ] - [ -0.0008914600000000, -0.0005891600000000, -0.0002560900000000 ] - [ -0.0003704700000000, 0.0003118800000000, -0.0000763400000000 ] - [ -0.0020785300000000, -0.0111407000000000, -0.0039748900000000 ] - [ 0.0000845100000000, 0.0003536100000000, 0.0008614600000000 ] - [ -0.0002595400000000, 0.0004412200000000, 0.0001782000000000 ] - [ -0.0019276800000000, 0.0004115600000000, -0.0000131400000000 ] - [ 0.0000022200000000, 0.0000090900000000, 0.0009816700000000 ] - [ 0.0004629300000000, -0.0008602100000000, 0.0004548500000000 ] - [ 0.0000958900000000, 0.0003571500000000, -0.0001303200000000 ] - [ -0.0008616300000000, 0.0005819400000000, -0.0002552300000000 ] - [ -0.0005523600000000, 0.0006642800000000, 0.0002757900000000 ] - [ 0.0003185300000000, -0.0001638600000000, 0.0006737800000000 ] - [ 0.0001274200000000, -0.0001978500000000, -0.0001457600000000 ] - [ 0.0003080100000000, -0.0004043800000000, -0.0001737900000000 ] - [ -0.0003125700000000, 0.0004442900000000, -0.0001885500000000 ] - [ 0.0001271300000000, -0.0005039400000000, 0.0002987400000000 ] - [ -0.0006259200000000, 0.0001868400000000, -0.0013121300000000 ] - [ -0.0003209300000000, 0.0002869100000000, -0.0006478100000000 ] - [ -0.0006551600000000, -0.0002248100000000, 0.0006649900000000 ] - [ 0.0008419600000000, -0.0003518000000000, -0.0009671800000000 ] - [ -0.0003605200000000, -0.0002728700000000, -0.0000651700000000 ] - [ -0.0000995800000000, 0.0003916700000000, -0.0001506700000000 ] - [ -0.0000035500000000, 0.0000079300000000, -0.0001895900000000 ] - [ -0.0000926300000000, 0.0003632400000000, 0.0008912100000000 ] - [ 0.0001138700000000, 0.0002360700000000, -0.0001259400000000 ] - [ 0.0002516900000000, 0.0006377000000000, 0.0002246700000000 ] - [ 0.0002777300000000, -0.0005489400000000, 0.0002717600000000 ] - [ -0.0002515400000000, -0.0005931800000000, 0.0002113700000000 ] - [ 0.0000161800000000, -0.0003229500000000, 0.0007388100000000 ] - [ -0.0006733300000000, -0.0012494400000000, 0.0002810800000000 ] - [ -0.0002714500000000, -0.0000805500000000, 0.0004572800000000 ] - [ 0.0023899300000000, -0.0043665700000000, -0.0031362000000000 ] - [ 0.0001914300000000, 0.0004251000000000, -0.0002582500000000 ] - [ -0.0004502400000000, 0.0008544800000000, 0.0004324000000000 ] - [ -0.0003224300000000, -0.0002713100000000, -0.0005973700000000 ] - [ 0.0003560200000000, -0.0002701900000000, -0.0000803500000000 ] - [ 0.0003384000000000, 0.0000326100000000, 0.0002137100000000 ] - [ -0.0002573100000000, 0.0002852800000000, 0.0000586800000000 ] - [ -0.0002980900000000, 0.0002006200000000, 0.0006301400000000 ] - [ -0.0002764200000000, 0.0000779500000000, 0.0000097300000000 ] - [ -0.0002817500000000, -0.0004490100000000, -0.0002749100000000 ] - [ -0.0000262200000000, 0.0000067500000000, 0.0009718300000000 ] - [ 0.0000693500000000, -0.0003242400000000, -0.0001172900000000 ] - [ 0.0002494300000000, -0.0000863600000000, 0.0000021100000000 ] - [ 0.0009082000000000, 0.0006320800000000, -0.0002612300000000 ] - [ 0.0005662000000000, 0.0006943900000000, 0.0002511200000000 ] - [ 0.0005199900000000, 0.0012159400000000, 0.0001123300000000 ] - [ 0.0003521100000000, 0.0002798100000000, -0.0000999200000000 ] - [ 0.0002590600000000, 0.0001746700000000, 0.0009285300000000 ] - [ 0.0000291100000000, 0.0000125000000000, -0.0002053700000000 ] - [ -0.0002471000000000, 0.0003051500000000, -0.0001562800000000 ] - [ -0.0034428700000000, 0.0006486400000000, -0.0011609200000000 ] - [ -0.0006127300000000, -0.0007523600000000, 0.0005015200000000 ] - [ 0.0001184800000000, 0.0004844400000000, 0.0002965000000000 ] - [ 0.0023290100000000, -0.0017101500000000, 0.0007325400000000 ] - [ 0.0008406400000000, -0.0005462600000000, -0.0002549500000000 ] - [ -0.0009923900000000, -0.0005966600000000, -0.0001869500000000 ] - [ -0.0003639500000000, 0.0002835200000000, -0.0000555900000000 ] - [ -0.0001220100000000, -0.0004966000000000, 0.0002837900000000 ] - [ -0.0000508300000000, 0.0003535500000000, 0.0007207400000000 ] - [ -0.0001180600000000, 0.0005131100000000, 0.0002670500000000 ] - [ -0.0002791800000000, 0.0005678700000000, 0.0002724900000000 ] - [ -0.0064212000000000, 0.0099243500000000, 0.0079270900000000 ] - [ 0.0003513600000000, -0.0009953400000000, 0.0005650800000000 ] - [ 0.0026132200000000, 0.0035744400000000, -0.0022025000000000 ] - [ -0.0005713900000000, 0.0005125600000000, -0.0001976800000000 ] - [ -0.0006019800000000, 0.0007130900000000, 0.0002723800000000 ] - [ 0.0003267600000000, -0.0002623200000000, 0.0006761200000000 ] - [ 0.0001923700000000, -0.0008299300000000, -0.0008898200000000 ] - [ 0.0009945800000000, -0.0021393300000000, -0.0003293000000000 ] - [ -0.0041999700000000, 0.0017108700000000, -0.0004261900000000 ] - [ 0.0001198300000000, -0.0005111700000000, 0.0003304700000000 ] - [ 0.0003250900000000, 0.0002976000000000, -0.0006600200000000 ] - [ -0.0002960700000000, 0.0002475500000000, -0.0006303400000000 ] - [ -0.0002974800000000, -0.0001862200000000, 0.0006354800000000 ] - [ 0.0003056300000000, -0.0002511000000000, -0.0007272000000000 ] - [ -0.0003430200000000, -0.0002392100000000, -0.0000565400000000 ] - [ 0.0000210900000000, 0.0003369300000000, -0.0003782800000000 ] - [ -0.0109653400000000, -0.0078122000000000, -0.0031138100000000 ] - [ -0.0019498200000000, 0.0005358400000000, 0.0005688100000000 ] - [ 0.0000434800000000, -0.0000333200000000, -0.0001306700000000 ] - [ 0.0002600400000000, 0.0006121700000000, 0.0001830000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004257200000000, -0.0048464900000000, 0.0024663100000000 ] - [ 0.0005252400000000, -0.0020193300000000, 0.0006251900000000 ] - [ -0.0008522200000000, -0.0006291000000000, 0.0000051200000000 ] - [ -0.0004575500000000, -0.0016366100000000, -0.0006575700000000 ] - [ -0.0000785600000000, -0.0014014100000000, -0.0000101800000000 ] - [ 0.0001385200000000, -0.0014593400000000, 0.0001728600000000 ] - [ -0.0002145900000000, -0.0015634700000000, 0.0004442000000000 ] - [ 0.0001534800000000, -0.0011777600000000, 0.0006367200000000 ] - [ -0.0002588300000000, -0.0017728900000000, -0.0006053600000000 ] - [ -0.0023141000000000, 0.0054003900000000, 0.0041641000000000 ] - [ -0.0002612900000000, -0.0028788400000000, -0.0010956900000000 ] - [ -0.0000743000000000, -0.0012317400000000, -0.0005341600000000 ] - [ 0.0001019000000000, -0.0013332800000000, 0.0007129300000000 ] - [ -0.0000508900000000, -0.0011742000000000, 0.0004198900000000 ] - [ 0.0000800900000000, -0.0014246200000000, -0.0001065700000000 ] - [ 0.0024104400000000, -0.0040948900000000, 0.0019348400000000 ] - [ 0.0004663400000000, -0.0009807200000000, -0.0002757300000000 ] - [ 0.0004693100000000, -0.0005356700000000, 0.0009883600000000 ] - [ 0.0007273500000000, 0.0028531400000000, -0.0014716100000000 ] - [ -0.0003846300000000, 0.0005352500000000, -0.0010414500000000 ] - [ 0.0009356000000000, 0.0080883300000000, 0.0056446500000000 ] - [ -0.0023013300000000, 0.0007904100000000, -0.0035566100000000 ] - [ 0.0008312200000000, 0.0015529200000000, -0.0028006100000000 ] - [ -0.0018148100000000, 0.0038975500000000, 0.0034368600000000 ] - [ -0.0001131300000000, 0.0004007500000000, -0.0011520600000000 ] - [ 0.0008454500000000, -0.0005461800000000, 0.0000898600000000 ] - [ -0.0006462100000000, -0.0017506600000000, -0.0007821600000000 ] - [ -0.0004112100000000, -0.0018973000000000, -0.0008308900000000 ] - [ 0.0007850400000000, 0.0002859200000000, 0.0014201400000000 ] - [ 0.0022801700000000, 0.0044549600000000, 0.0044544800000000 ] - [ -0.0009819500000000, 0.0027745600000000, -0.0018600800000000 ] - [ 0.0003944000000000, -0.0008926600000000, -0.0003224000000000 ] - [ -0.0000839400000000, -0.0012467800000000, 0.0035243100000000 ] - [ 0.0007499300000000, -0.0034990400000000, -0.0003446700000000 ] - [ 0.0005900600000000, -0.0028328200000000, -0.0011504400000000 ] - [ 0.0007969600000000, -0.0023855000000000, 0.0004272400000000 ] - [ 0.0007668700000000, -0.0040043900000000, 0.0005806200000000 ] - [ 0.0001005600000000, -0.0027241500000000, -0.0012443900000000 ] - [ -0.0001047600000000, -0.0041052200000000, 0.0003227900000000 ] - [ -0.0040519000000000, 0.0089648500000000, 0.0182324800000000 ] - [ 0.0003666200000000, -0.0019333300000000, -0.0000941900000000 ] - [ -0.0005858900000000, -0.0023877100000000, -0.0010109700000000 ] - [ -0.0003206900000000, -0.0038731800000000, -0.0005748300000000 ] - [ 0.0005690700000000, -0.0028841600000000, -0.0011307400000000 ] - [ -0.0000465100000000, -0.0022827800000000, -0.0015235300000000 ] - [ -0.0006549300000000, -0.0043574200000000, 0.0001676800000000 ] - [ -0.0008284900000000, -0.0018979300000000, 0.0000104200000000 ] - [ -0.0000241200000000, 0.0005277100000000, 0.0038724500000000 ] - [ 0.0004958700000000, -0.0041068500000000, 0.0001674600000000 ] - [ 0.0035765100000000, 0.0083083000000000, 0.0022226600000000 ] - [ 0.0000069300000000, 0.0009640000000000, -0.0028744500000000 ] - [ 0.0007613200000000, 0.0053651200000000, -0.0011520200000000 ] - [ 0.0002927500000000, -0.0018427600000000, -0.0004512400000000 ] - [ -0.0011034400000000, -0.0043309200000000, -0.0123680200000000 ] - [ -0.0001425200000000, -0.0003486900000000, -0.0015859000000000 ] - [ 0.0000095200000000, -0.0017278800000000, -0.0013981700000000 ] - [ -0.0032970500000000, -0.0132669900000000, 0.0063416000000000 ] - [ -0.0010987900000000, 0.0102394100000000, -0.0000009100000000 ] - [ -0.0002954400000000, -0.0009701800000000, -0.0017025400000000 ] - [ -0.0004743600000000, 0.0046195400000000, -0.0006358500000000 ] - [ 0.0008129000000000, 0.0050304200000000, -0.0003827700000000 ] - [ -0.0006726000000000, 0.0026074600000000, 0.0000315400000000 ] - [ 0.0127661000000000, 0.1029198700000000, 0.0341974700000000 ] - [ -0.0007030300000000, -0.0027608700000000, 0.0004565400000000 ] - [ -0.0120620500000000, -0.2047576200000000, -0.0875181800000000 ] - [ -0.0002402300000000, 0.0016194600000000, 0.0011395200000000 ] - [ 0.0000104800000000, 0.0006862100000000, 0.0008384100000000 ] - [ -0.0004804200000000, 0.0008058900000000, 0.0013115200000000 ] - [ 0.0001372100000000, 0.0011959800000000, -0.0000671800000000 ] - [ 0.0000079400000000, 0.0006144300000000, 0.0010067300000000 ] - [ 0.0003526700000000, 0.0017385300000000, -0.0003632100000000 ] - [ 0.0000970600000000, 0.0047624600000000, 0.0009842100000000 ] - [ -0.0001412800000000, 0.0008372600000000, -0.0001936600000000 ] - [ -0.0136873900000000, 0.0128520800000000, -0.0001049100000000 ] - [ 0.0005746500000000, 0.0014682400000000, 0.0005105500000000 ] - [ -0.0000845700000000, 0.0010018800000000, -0.0000514300000000 ] - [ -0.0016388600000000, 0.0193425400000000, 0.0080871800000000 ] - [ -0.0000855600000000, 0.0006528400000000, -0.0001969500000000 ] - [ -0.0002667900000000, 0.0009282200000000, -0.0001482200000000 ] - [ 0.0000651500000000, 0.0008515400000000, 0.0008848400000000 ] - [ -0.0000498300000000, 0.0012624200000000, 0.0002933000000000 ] - [ -0.0003648200000000, 0.0007604600000000, 0.0001822300000000 ] - [ 0.0003099000000000, 0.0005216900000000, -0.0012882300000000 ] - [ 0.0005253200000000, 0.0014107500000000, -0.0001325400000000 ] - [ 0.0004730500000000, 0.0021075900000000, -0.0009561000000000 ] - [ 0.0005218900000000, 0.0014359400000000, -0.0004086900000000 ] - [ 0.0003743100000000, 0.0019251400000000, 0.0010857100000000 ] - [ -0.0000347800000000, 0.0007625800000000, -0.0002604100000000 ] - [ -0.0001322900000000, 0.0007869900000000, -0.0002184400000000 ] - [ 0.0000381500000000, 0.0009020500000000, 0.0001621800000000 ] - [ -0.0005184100000000, 0.0005803700000000, 0.0001736400000000 ] - [ 0.0000229200000000, 0.0018544700000000, 0.0005357400000000 ] - [ 0.0005022700000000, 0.0005754800000000, 0.0000096600000000 ] - [ 0.0012310500000000, -0.0003835500000000, -0.0012002000000000 ] - [ -0.0009111200000000, 0.0002923000000000, -0.0000100300000000 ] - [ -0.0002657200000000, 0.0014962300000000, -0.0000218500000000 ] - [ 0.0139870000000000, 0.0211399000000000, 0.0038823900000000 ] - [ 0.0001413800000000, 0.0013352000000000, 0.0005949400000000 ] - [ -0.0005449600000000, 0.0018617100000000, 0.0002580000000000 ] - [ -0.0001073100000000, 0.0028670100000000, -0.0014895300000000 ] - [ 0.0000217200000000, 0.0007004000000000, 0.0010711800000000 ] - [ 0.0005359700000000, 0.0011602400000000, 0.0012247800000000 ] - [ 0.0002368600000000, 0.0016009900000000, -0.0003800400000000 ] - [ -0.0008390000000000, 0.0013930900000000, -0.0001374400000000 ] - [ -0.0006637800000000, 0.0015952300000000, 0.0010293700000000 ] - [ 0.0002024500000000, 0.0016657900000000, -0.0002311400000000 ] - [ 0.0001294900000000, 0.0005641100000000, -0.0002411300000000 ] - [ 0.0002281200000000, 0.0007942000000000, 0.0000886300000000 ] - [ -0.0003555500000000, 0.0016203800000000, -0.0003170500000000 ] - [ 0.0000542400000000, 0.0005931800000000, 0.0001187700000000 ] - [ -0.0002032100000000, 0.0002596000000000, -0.0049308300000000 ] - [ -0.0004669200000000, 0.0012136300000000, -0.0004034600000000 ] - [ 0.0001717300000000, 0.0011414300000000, 0.0020975400000000 ] - [ 0.0001161400000000, 0.0007196900000000, -0.0031619700000000 ] - [ -0.0002617300000000, 0.0006656000000000, -0.0000324300000000 ] - [ -0.0002691400000000, 0.0020810200000000, -0.0006327100000000 ] - [ -0.0000877100000000, 0.0006157200000000, -0.0001372800000000 ] - [ -0.0002233900000000, 0.0013042300000000, 0.0010870900000000 ] - [ -0.0000340800000000, 0.0012683700000000, 0.0001876300000000 ] - [ 0.0003431500000000, 0.0031138400000000, -0.0009019400000000 ] - [ 0.0002550500000000, 0.0012581100000000, 0.0010370500000000 ] - [ -0.0002988600000000, -0.0036516700000000, -0.0006826700000000 ] - [ -0.0001789700000000, -0.0024929700000000, 0.0006474000000000 ] - [ -0.0009517900000000, -0.0032836100000000, -0.0001652200000000 ] - [ -0.0009266900000000, -0.0025441400000000, 0.0008750200000000 ] - [ 0.0059892800000000, -0.0016127100000000, 0.0137530200000000 ] - [ 0.0002716800000000, -0.0019038800000000, 0.0005644400000000 ] - [ -0.0003795100000000, 0.0019922900000000, 0.0005381700000000 ] - [ -0.0001764100000000, 0.0001814000000000, 0.0005434000000000 ] - [ 0.0002568600000000, 0.0005263000000000, -0.0001212800000000 ] - [ 0.0002668700000000, 0.0004938300000000, 0.0010786000000000 ] - [ -0.0002740200000000, -0.0048752200000000, 0.0013609100000000 ] - [ -0.0003549600000000, 0.0014767900000000, 0.0010959600000000 ] - [ 0.0012984600000000, -0.0033242500000000, 0.0015221400000000 ] - [ -0.0002460200000000, -0.0017028900000000, -0.0003528600000000 ] - [ 0.0001116500000000, -0.0010661000000000, 0.0010080000000000 ] - [ 0.0003433000000000, -0.0020513400000000, 0.0002334700000000 ] - [ 0.0018260400000000, 0.0000900800000000, -0.0017891900000000 ] - [ 0.0011031200000000, 0.0016577800000000, -0.0004897000000000 ] - [ 0.0005654600000000, 0.0014839300000000, 0.0000151700000000 ] - [ 0.0007568400000000, 0.0048543300000000, -0.0028262400000000 ] - [ 0.0002135900000000, 0.0003862500000000, 0.0001907900000000 ] - [ 0.0002195400000000, -0.0010181300000000, -0.0011521100000000 ] - [ -0.0001897900000000, -0.0008907400000000, 0.0001403600000000 ] - [ -0.0024633400000000, 0.0021203700000000, -0.0035323100000000 ] - [ -0.0014042400000000, -0.0063951400000000, -0.0036667100000000 ] - [ -0.0011305800000000, -0.0014858600000000, 0.0043026700000000 ] - [ 0.0002247000000000, 0.0009693800000000, 0.0005574600000000 ] - [ -0.0002846900000000, 0.0012063800000000, -0.0023061800000000 ] - [ 0.0006764700000000, 0.0004991400000000, -0.0003972500000000 ] - [ -0.0025137900000000, -0.0000257000000000, 0.0011080200000000 ] - [ -0.0005403600000000, 0.0007233000000000, 0.0001808700000000 ] - [ -0.0000779900000000, 0.0004423300000000, 0.0000785300000000 ] - [ -0.0003292100000000, -0.0011937500000000, 0.0001461800000000 ] - [ -0.0000044900000000, 0.0008621300000000, 0.0005445400000000 ] - [ -0.0002738200000000, 0.0019049500000000, -0.0001049700000000 ] - [ -0.0138633700000000, 0.0073572400000000, 0.0082665000000000 ] - [ 0.0006587000000000, -0.0043698600000000, -0.0022247800000000 ] - [ 0.0027693500000000, 0.0254801400000000, -0.0095112700000000 ] - [ 0.0010414100000000, 0.0006755900000000, 0.0011163200000000 ] - [ -0.0006966600000000, 0.0020910600000000, 0.0008148300000000 ] - [ 0.0002818400000000, -0.0001620700000000, 0.0001620300000000 ] - [ 0.0022060200000000, -0.0042901700000000, 0.0012410400000000 ] - [ 0.0010752400000000, 0.0078390200000000, 0.0025216000000000 ] - [ 0.0003563900000000, -0.0067929000000000, 0.0006401200000000 ] - [ 0.0000824800000000, -0.0020095600000000, 0.0012780500000000 ] - [ 0.0004493400000000, 0.0010652000000000, -0.0008404700000000 ] - [ -0.0001506900000000, -0.0002353400000000, 0.0004253300000000 ] - [ -0.0002671600000000, 0.0004785600000000, 0.0007958200000000 ] - [ 0.0001373600000000, 0.0004483800000000, -0.0015486200000000 ] - [ -0.0004669400000000, -0.0016213800000000, 0.0006332300000000 ] - [ -0.0002892400000000, -0.0007705100000000, 0.0015536700000000 ] - [ 0.0127304000000000, 0.0020218200000000, 0.0024886300000000 ] - [ -0.0015466000000000, 0.0003748500000000, 0.0023778300000000 ] - [ -0.0002731400000000, 0.0013238600000000, 0.0012215000000000 ] - [ 0.0003177900000000, -0.0002444500000000, 0.0005015800000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011338100000000, 0.0047639100000000, -0.0034550500000000 ] - [ 0.0007655000000000, 0.0007230700000000, -0.0005996800000000 ] - [ -0.0004395800000000, 0.0019163200000000, 0.0000197400000000 ] - [ -0.0002804800000000, 0.0017277700000000, -0.0003286700000000 ] - [ 0.0001571000000000, 0.0013691400000000, -0.0000040400000000 ] - [ -0.0001377600000000, 0.0014533100000000, 0.0004375400000000 ] - [ 0.0002135300000000, 0.0015569200000000, 0.0006620900000000 ] - [ -0.0001531000000000, 0.0011727700000000, 0.0004694600000000 ] - [ -0.0004792100000000, 0.0016658600000000, -0.0003806400000000 ] - [ 0.0035414000000000, -0.0041399100000000, -0.0040644800000000 ] - [ -0.0010343800000000, 0.0015783700000000, 0.0011118200000000 ] - [ -0.0000047600000000, 0.0012516700000000, 0.0005181600000000 ] - [ -0.0000225400000000, 0.0013557900000000, -0.0007283600000000 ] - [ 0.0000508300000000, 0.0011692200000000, 0.0001908200000000 ] - [ -0.0001589800000000, 0.0013927400000000, 0.0000910300000000 ] - [ -0.0016528600000000, 0.0042116800000000, -0.0029157200000000 ] - [ 0.0002726500000000, 0.0008792400000000, -0.0007066100000000 ] - [ 0.0008213800000000, -0.0007552600000000, -0.0009540600000000 ] - [ -0.0020125500000000, -0.0015532800000000, 0.0014894200000000 ] - [ -0.0003540000000000, -0.0004377600000000, 0.0000547900000000 ] - [ -0.0008239300000000, -0.0081332300000000, -0.0056120900000000 ] - [ 0.0022938200000000, -0.0007963600000000, 0.0041552200000000 ] - [ -0.0008329500000000, -0.0015435400000000, 0.0038906900000000 ] - [ 0.0017973700000000, -0.0038678800000000, -0.0023178200000000 ] - [ -0.0006235800000000, -0.0005016500000000, 0.0001646000000000 ] - [ 0.0004473100000000, 0.0018340200000000, -0.0000645400000000 ] - [ -0.0006458800000000, 0.0004517900000000, 0.0008030100000000 ] - [ 0.0003331600000000, 0.0019180000000000, 0.0008077500000000 ] - [ -0.0007007300000000, -0.0002551600000000, -0.0014208200000000 ] - [ -0.0022579100000000, -0.0044041900000000, -0.0038279000000000 ] - [ 0.0009021100000000, -0.0027902700000000, 0.0018338000000000 ] - [ 0.0003438000000000, 0.0009893500000000, -0.0006600000000000 ] - [ -0.0005391700000000, 0.0010961300000000, -0.0043761200000000 ] - [ 0.0007447900000000, 0.0016286200000000, 0.0004318500000000 ] - [ 0.0000325200000000, 0.0029514100000000, 0.0002858000000000 ] - [ 0.0006976900000000, 0.0042327700000000, -0.0003366700000000 ] - [ -0.0004087400000000, 0.0027727800000000, -0.0023032200000000 ] - [ 0.0005208900000000, 0.0025902900000000, 0.0003785000000000 ] - [ -0.0008483600000000, 0.0040815600000000, -0.0014254200000000 ] - [ 0.0040897200000000, -0.0094710000000000, -0.0216250900000000 ] - [ 0.0005890500000000, 0.0019227200000000, -0.0010179300000000 ] - [ -0.0003705500000000, 0.0023813400000000, -0.0001038200000000 ] - [ -0.0000309500000000, 0.0026473000000000, -0.0011481400000000 ] - [ 0.0003872200000000, 0.0028753000000000, 0.0000159200000000 ] - [ 0.0003999800000000, 0.0034880100000000, -0.0002059400000000 ] - [ -0.0008394700000000, 0.0024869600000000, -0.0000795500000000 ] - [ -0.0006667200000000, 0.0037453000000000, 0.0000777000000000 ] - [ -0.0005944000000000, -0.0004078400000000, -0.0047321000000000 ] - [ -0.0011130800000000, 0.0039626500000000, -0.0010236000000000 ] - [ -0.0020657700000000, -0.0100790700000000, -0.0021185900000000 ] - [ 0.0006178300000000, -0.0008434500000000, 0.0020182400000000 ] - [ 0.0007328100000000, -0.0034852900000000, 0.0012422400000000 ] - [ 0.0000624700000000, 0.0006181700000000, -0.0012748600000000 ] - [ 0.0017117400000000, 0.0041700400000000, 0.0114251800000000 ] - [ -0.0008156400000000, 0.0003530500000000, 0.0004697100000000 ] - [ -0.0003632700000000, 0.0029375100000000, -0.0003303000000000 ] - [ 0.0042212500000000, 0.0131228700000000, -0.0073986800000000 ] - [ 0.0001096100000000, -0.0102525600000000, -0.0010915900000000 ] - [ -0.0000577200000000, -0.0002430700000000, -0.0000265700000000 ] - [ 0.0014338200000000, -0.0046065900000000, -0.0004706900000000 ] - [ -0.0004575600000000, -0.0037998600000000, -0.0013415200000000 ] - [ -0.0008224800000000, -0.0044477600000000, 0.0000588200000000 ] - [ -0.0127691900000000, -0.0935420100000000, -0.0307449500000000 ] - [ 0.0000789100000000, 0.0028759200000000, -0.0013120200000000 ] - [ 0.0108472500000000, 0.1980533300000000, 0.0863949600000000 ] - [ -0.0003140500000000, -0.0027540700000000, -0.0006121000000000 ] - [ -0.0001875800000000, -0.0013786800000000, 0.0009145900000000 ] - [ -0.0004354900000000, -0.0026026300000000, -0.0004434100000000 ] - [ -0.0004409600000000, -0.0011320700000000, 0.0003415700000000 ] - [ 0.0001687800000000, -0.0013060800000000, 0.0007452900000000 ] - [ 0.0002711500000000, -0.0008835600000000, -0.0000101000000000 ] - [ -0.0010086500000000, -0.0029377200000000, -0.0001142800000000 ] - [ -0.0005004900000000, -0.0013904700000000, -0.0010929100000000 ] - [ 0.0146766600000000, -0.0136505100000000, -0.0001307300000000 ] - [ -0.0002670900000000, -0.0015212300000000, -0.0002350200000000 ] - [ 0.0003884900000000, -0.0009393900000000, 0.0003258800000000 ] - [ 0.0010377100000000, -0.0188402000000000, -0.0067609700000000 ] - [ -0.0001669600000000, -0.0010624500000000, -0.0000834800000000 ] - [ -0.0003565000000000, -0.0017746600000000, -0.0002240900000000 ] - [ -0.0000652200000000, -0.0008489500000000, 0.0010671600000000 ] - [ 0.0002400800000000, -0.0019624100000000, -0.0005566800000000 ] - [ 0.0000594000000000, -0.0008166000000000, 0.0000937200000000 ] - [ 0.0014253000000000, 0.0006450900000000, 0.0007765500000000 ] - [ 0.0006062400000000, -0.0000854200000000, 0.0006463300000000 ] - [ 0.0004432300000000, -0.0003007800000000, 0.0018177800000000 ] - [ 0.0001989600000000, -0.0008703700000000, 0.0002659700000000 ] - [ 0.0002233700000000, -0.0015120800000000, 0.0002032500000000 ] - [ 0.0000349000000000, -0.0007603500000000, -0.0001262300000000 ] - [ -0.0001201400000000, -0.0003717900000000, -0.0000609300000000 ] - [ -0.0002282500000000, -0.0016024800000000, -0.0004250100000000 ] - [ -0.0006134600000000, -0.0018991400000000, 0.0003397000000000 ] - [ 0.0002245800000000, -0.0008121700000000, 0.0000561900000000 ] - [ 0.0006294800000000, -0.0018936200000000, 0.0005024000000000 ] - [ 0.0005140200000000, -0.0007770400000000, 0.0006899200000000 ] - [ -0.0008316200000000, -0.0014508500000000, -0.0004990200000000 ] - [ -0.0004524100000000, -0.0009193100000000, -0.0001193400000000 ] - [ -0.0145547500000000, -0.0226817400000000, -0.0034503500000000 ] - [ 0.0000362200000000, -0.0006364500000000, 0.0011573500000000 ] - [ 0.0002927500000000, -0.0008200300000000, 0.0003329300000000 ] - [ -0.0004461300000000, -0.0017057400000000, 0.0020047400000000 ] - [ -0.0000216300000000, -0.0006976700000000, 0.0008803400000000 ] - [ 0.0003800200000000, -0.0029544800000000, -0.0003568000000000 ] - [ -0.0000456700000000, -0.0008915300000000, 0.0001153000000000 ] - [ -0.0009039700000000, -0.0002301800000000, -0.0003720300000000 ] - [ -0.0004679900000000, -0.0002688400000000, -0.0005155900000000 ] - [ 0.0003947100000000, -0.0020636300000000, 0.0015135900000000 ] - [ 0.0001232600000000, -0.0009744500000000, -0.0000388900000000 ] - [ 0.0003947500000000, -0.0016396900000000, -0.0004593200000000 ] - [ -0.0002680000000000, -0.0007646100000000, -0.0000565300000000 ] - [ 0.0001937800000000, -0.0016249800000000, 0.0004704800000000 ] - [ 0.0008471700000000, 0.0003009900000000, 0.0036540300000000 ] - [ -0.0001761900000000, -0.0006539700000000, -0.0008844100000000 ] - [ -0.0007712400000000, -0.0015463300000000, -0.0008206700000000 ] - [ 0.0005279100000000, -0.0012757800000000, 0.0018717300000000 ] - [ -0.0004572700000000, -0.0012330900000000, -0.0001106200000000 ] - [ 0.0000777000000000, -0.0013686100000000, 0.0003654000000000 ] - [ 0.0000874700000000, -0.0006135200000000, -0.0002485400000000 ] - [ 0.0000457500000000, -0.0006048500000000, 0.0006653400000000 ] - [ 0.0002852700000000, -0.0008513100000000, -0.0004679500000000 ] - [ 0.0002108800000000, -0.0019640900000000, 0.0014226400000000 ] - [ 0.0002992100000000, -0.0023941700000000, -0.0005102300000000 ] - [ -0.0002547100000000, 0.0024961700000000, 0.0012024300000000 ] - [ -0.0000003900000000, 0.0017847600000000, 0.0011027900000000 ] - [ 0.0000346300000000, 0.0014811000000000, 0.0010264800000000 ] - [ 0.0006189000000000, 0.0025936700000000, -0.0005969800000000 ] - [ -0.0057445800000000, 0.0008018400000000, -0.0118503800000000 ] - [ 0.0003533200000000, 0.0027431800000000, -0.0009334400000000 ] - [ -0.0005353000000000, -0.0001909900000000, 0.0003305100000000 ] - [ -0.0004654800000000, -0.0007346700000000, -0.0018294600000000 ] - [ 0.0004619100000000, -0.0010944800000000, -0.0000226200000000 ] - [ 0.0000403000000000, -0.0005548200000000, -0.0007980000000000 ] - [ 0.0005752000000000, 0.0049175400000000, -0.0010857400000000 ] - [ -0.0002424800000000, -0.0010681500000000, 0.0001916700000000 ] - [ -0.0015473900000000, 0.0029078800000000, -0.0017974300000000 ] - [ -0.0003760200000000, 0.0008416400000000, -0.0000235000000000 ] - [ -0.0001099100000000, 0.0010608600000000, 0.0009420100000000 ] - [ -0.0001507100000000, 0.0013396200000000, -0.0004972400000000 ] - [ -0.0021051200000000, -0.0001400400000000, 0.0020439200000000 ] - [ 0.0006427100000000, -0.0004916000000000, -0.0000224500000000 ] - [ 0.0005664700000000, -0.0001573000000000, 0.0004965000000000 ] - [ 0.0001627200000000, -0.0030248900000000, 0.0036645000000000 ] - [ 0.0005041600000000, 0.0001820600000000, -0.0003346100000000 ] - [ 0.0003780500000000, 0.0014226200000000, 0.0024366200000000 ] - [ 0.0001885900000000, 0.0008863300000000, -0.0005274300000000 ] - [ 0.0021756300000000, -0.0016851300000000, 0.0032085600000000 ] - [ 0.0012429500000000, 0.0056440500000000, 0.0033864200000000 ] - [ -0.0000029400000000, 0.0001652900000000, -0.0037692900000000 ] - [ 0.0000240500000000, 0.0000693100000000, 0.0000337200000000 ] - [ 0.0014004800000000, -0.0025154000000000, 0.0028157900000000 ] - [ 0.0010644800000000, -0.0016555400000000, -0.0001140000000000 ] - [ 0.0007606900000000, -0.0011300500000000, -0.0016126200000000 ] - [ -0.0001795500000000, -0.0001498600000000, -0.0003232100000000 ] - [ -0.0001699000000000, -0.0014750600000000, 0.0005097100000000 ] - [ 0.0005057400000000, 0.0018783800000000, 0.0016037500000000 ] - [ -0.0002427400000000, 0.0001729300000000, 0.0000435700000000 ] - [ -0.0002806200000000, -0.0007563800000000, 0.0006274900000000 ] - [ 0.0135287900000000, -0.0072730600000000, -0.0061401300000000 ] - [ 0.0002571100000000, 0.0025660800000000, 0.0030849300000000 ] - [ -0.0025941400000000, -0.0242158800000000, 0.0089138900000000 ] - [ -0.0027730400000000, 0.0004893000000000, -0.0016225600000000 ] - [ -0.0004364800000000, -0.0007639300000000, -0.0002984800000000 ] - [ 0.0003149200000000, -0.0002402200000000, 0.0011235100000000 ] - [ -0.0019113800000000, 0.0038690400000000, -0.0015081600000000 ] - [ -0.0004516100000000, -0.0087007500000000, -0.0028894600000000 ] - [ -0.0009555300000000, 0.0075809400000000, -0.0010047800000000 ] - [ 0.0001661100000000, 0.0009708900000000, -0.0006849400000000 ] - [ 0.0001941100000000, -0.0005054500000000, -0.0004523700000000 ] - [ -0.0004920100000000, 0.0007919100000000, -0.0017124600000000 ] - [ -0.0003302100000000, -0.0008837900000000, 0.0004919700000000 ] - [ 0.0005043400000000, -0.0010024700000000, 0.0002498300000000 ] - [ -0.0002529300000000, 0.0010466700000000, -0.0007745600000000 ] - [ 0.0001002900000000, 0.0014689300000000, -0.0018196100000000 ] - [ -0.0124791600000000, -0.0019986700000000, -0.0028442800000000 ] - [ 0.0013464700000000, 0.0003246800000000, -0.0005933700000000 ] - [ 0.0005238900000000, -0.0009164500000000, -0.0014962900000000 ] - [ 0.0002367600000000, 0.0013801300000000, 0.0000243100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003407000000000, -0.0019474300000000, 0.0018258300000000 ] - [ 0.0006028900000000, -0.0009365700000000, 0.0005056900000000 ] - [ -0.0007274700000000, 0.0000761100000000, 0.0000903100000000 ] - [ -0.0004423100000000, -0.0005531000000000, -0.0003237800000000 ] - [ 0.0000040000000000, -0.0005232900000000, -0.0000956100000000 ] - [ 0.0000805500000000, -0.0006641800000000, 0.0002264600000000 ] - [ -0.0001072400000000, -0.0007324400000000, 0.0004798500000000 ] - [ 0.0000532700000000, -0.0004110900000000, 0.0005988400000000 ] - [ -0.0002876300000000, -0.0006833300000000, -0.0002807600000000 ] - [ 0.0020865300000000, 0.0052686400000000, 0.0015581600000000 ] - [ -0.0003477700000000, -0.0023542800000000, 0.0000697300000000 ] - [ -0.0000511700000000, -0.0006902200000000, -0.0004937500000000 ] - [ 0.0000091700000000, -0.0002380900000000, 0.0005582400000000 ] - [ -0.0000129800000000, -0.0004127300000000, 0.0003655300000000 ] - [ 0.0000206800000000, -0.0006404500000000, 0.0000374300000000 ] - [ 0.0016136800000000, -0.0007836300000000, 0.0014182700000000 ] - [ 0.0002966300000000, -0.0005422900000000, -0.0006654200000000 ] - [ 0.0007026300000000, -0.0006613200000000, -0.0003413900000000 ] - [ 0.0003574300000000, 0.0017178300000000, -0.0017993000000000 ] - [ -0.0002611800000000, 0.0004521800000000, -0.0013961200000000 ] - [ -0.0022686200000000, 0.0065217600000000, 0.0033393400000000 ] - [ -0.0040187500000000, -0.0013641500000000, -0.0046491500000000 ] - [ 0.0012590200000000, -0.0000756200000000, -0.0023175500000000 ] - [ 0.0001048800000000, 0.0020088600000000, 0.0007627200000000 ] - [ -0.0002815400000000, 0.0003773500000000, -0.0014629900000000 ] - [ 0.0007171100000000, 0.0001942900000000, -0.0000341600000000 ] - [ -0.0007449400000000, -0.0012994000000000, -0.0006872900000000 ] - [ -0.0002790300000000, -0.0017640700000000, 0.0003665200000000 ] - [ 0.0001617000000000, 0.0002295400000000, -0.0002297300000000 ] - [ -0.0006157700000000, 0.0021147600000000, -0.0002904300000000 ] - [ -0.0007525100000000, 0.0012522900000000, -0.0023481500000000 ] - [ 0.0004242400000000, -0.0004845500000000, -0.0006703000000000 ] - [ -0.0009416700000000, 0.0038867900000000, 0.0004693100000000 ] - [ 0.0007832500000000, -0.0019189500000000, -0.0003194100000000 ] - [ 0.0004687400000000, -0.0016195900000000, -0.0006484800000000 ] - [ 0.0007184400000000, -0.0003598800000000, 0.0004915700000000 ] - [ 0.0002308800000000, -0.0022950600000000, 0.0003955200000000 ] - [ 0.0001307100000000, -0.0018408400000000, -0.0005439300000000 ] - [ -0.0001377000000000, -0.0025723200000000, 0.0004035200000000 ] - [ -0.0051310200000000, 0.0090492200000000, 0.0351164500000000 ] - [ 0.0004811300000000, -0.0003359900000000, -0.0007165500000000 ] - [ -0.0005511300000000, -0.0010510300000000, -0.0008392300000000 ] - [ -0.0002295100000000, -0.0022516700000000, -0.0004332100000000 ] - [ 0.0004895900000000, -0.0011289500000000, -0.0006981400000000 ] - [ 0.0001166200000000, -0.0003692600000000, -0.0009727000000000 ] - [ -0.0006835900000000, -0.0023380000000000, 0.0003073500000000 ] - [ -0.0008268500000000, -0.0002872500000000, -0.0002132300000000 ] - [ -0.0001384300000000, 0.0020194500000000, 0.0013676900000000 ] - [ -0.0004073900000000, -0.0004093600000000, -0.0006156800000000 ] - [ 0.0050355800000000, 0.0010416800000000, 0.0072035200000000 ] - [ 0.0003806500000000, -0.0000489900000000, -0.0018284300000000 ] - [ 0.0010870600000000, 0.0032246200000000, -0.0031600000000000 ] - [ 0.0002045500000000, -0.0005048600000000, -0.0011172700000000 ] - [ -0.0010442900000000, -0.0037472600000000, -0.0099740600000000 ] - [ -0.0000623400000000, -0.0012190400000000, -0.0016550600000000 ] - [ -0.0000790700000000, -0.0005064400000000, -0.0012153200000000 ] - [ 0.0004479100000000, 0.0002858100000000, -0.0010177200000000 ] - [ -0.0017572400000000, 0.0029395400000000, 0.0019805200000000 ] - [ -0.0004182700000000, -0.0012291400000000, -0.0017740600000000 ] - [ -0.0004585300000000, 0.0020790600000000, -0.0024631600000000 ] - [ 0.0005847300000000, 0.0023350400000000, -0.0026995900000000 ] - [ -0.0009124500000000, 0.0002362900000000, -0.0021873500000000 ] - [ 0.0038446000000000, 0.0314555300000000, 0.0353560600000000 ] - [ -0.0004077900000000, -0.0008777800000000, -0.0000538100000000 ] - [ -0.0005613100000000, -0.0873848500000000, -0.0827825100000000 ] - [ -0.0002625400000000, 0.0002999900000000, 0.0005217800000000 ] - [ -0.0000384400000000, 0.0000601400000000, 0.0007959700000000 ] - [ -0.0004716500000000, -0.0000784000000000, 0.0008188100000000 ] - [ -0.0000198400000000, 0.0005178900000000, 0.0000436600000000 ] - [ 0.0000639400000000, 0.0000576600000000, 0.0009969300000000 ] - [ 0.0003327400000000, 0.0009663400000000, -0.0003041900000000 ] - [ 0.0000908300000000, 0.0038478000000000, 0.0010768700000000 ] - [ -0.0002006400000000, 0.0003423300000000, -0.0007897300000000 ] - [ -0.0034670200000000, 0.0001180300000000, -0.0082665400000000 ] - [ 0.0004250900000000, 0.0008207000000000, 0.0002642800000000 ] - [ 0.0000593900000000, 0.0004300600000000, 0.0000710800000000 ] - [ -0.0018444300000000, 0.0183745400000000, 0.0046599400000000 ] - [ -0.0001123800000000, 0.0001185900000000, -0.0001823100000000 ] - [ -0.0003086600000000, 0.0000269600000000, -0.0002883800000000 ] - [ 0.0000267400000000, 0.0003347500000000, 0.0008665200000000 ] - [ 0.0000286600000000, 0.0003000900000000, -0.0000203900000000 ] - [ -0.0002095000000000, 0.0001627100000000, 0.0001800300000000 ] - [ 0.0014118500000000, -0.0003533300000000, -0.0006135000000000 ] - [ 0.0004985200000000, 0.0004028800000000, -0.0000520700000000 ] - [ 0.0004734500000000, 0.0008392600000000, 0.0000801000000000 ] - [ 0.0004142600000000, 0.0008280300000000, -0.0005199500000000 ] - [ 0.0003372500000000, 0.0005692100000000, 0.0005946600000000 ] - [ -0.0000124400000000, 0.0003071600000000, -0.0003004400000000 ] - [ -0.0001321500000000, 0.0003041900000000, -0.0000958000000000 ] - [ -0.0000479200000000, 0.0001662200000000, 0.0000424900000000 ] - [ -0.0005409400000000, -0.0000305100000000, 0.0001844400000000 ] - [ 0.0003417000000000, 0.0009599400000000, -0.0000548900000000 ] - [ 0.0005543300000000, -0.0002742900000000, 0.0002020900000000 ] - [ 0.0006604700000000, -0.0012652200000000, -0.0006397300000000 ] - [ -0.0008545800000000, -0.0000155500000000, -0.0001986700000000 ] - [ -0.0005363400000000, 0.0008054800000000, -0.0006497600000000 ] - [ 0.0055990400000000, 0.0051059200000000, -0.0050885400000000 ] - [ 0.0000824600000000, 0.0006828500000000, 0.0006527000000000 ] - [ -0.0003529400000000, 0.0012875600000000, 0.0000971200000000 ] - [ -0.0005563600000000, 0.0023159200000000, -0.0018631500000000 ] - [ 0.0000261400000000, 0.0002894300000000, 0.0010878400000000 ] - [ 0.0004814300000000, -0.0001257600000000, 0.0007244600000000 ] - [ 0.0001563700000000, 0.0007240100000000, -0.0000794000000000 ] - [ -0.0008721300000000, 0.0010757000000000, -0.0002564000000000 ] - [ -0.0006243900000000, 0.0012695900000000, 0.0007004400000000 ] - [ 0.0002356800000000, 0.0007422700000000, 0.0001433100000000 ] - [ 0.0001330200000000, 0.0001332000000000, -0.0001639600000000 ] - [ 0.0002461900000000, 0.0001799500000000, 0.0000454100000000 ] - [ -0.0003299900000000, 0.0009088800000000, -0.0001970300000000 ] - [ 0.0000537700000000, -0.0000492900000000, 0.0001360700000000 ] - [ 0.0001878400000000, -0.0002685600000000, -0.0031498100000000 ] - [ -0.0003860700000000, 0.0007643700000000, -0.0007591000000000 ] - [ -0.0000264300000000, 0.0006507100000000, 0.0008802400000000 ] - [ 0.0002605000000000, -0.0007049800000000, -0.0027602300000000 ] - [ -0.0002738800000000, 0.0001010100000000, -0.0001725800000000 ] - [ -0.0001800600000000, 0.0012633600000000, -0.0005119400000000 ] - [ -0.0000555000000000, 0.0002548600000000, -0.0000994200000000 ] - [ -0.0001742100000000, 0.0007822600000000, 0.0010849600000000 ] - [ -0.0000396800000000, 0.0007991900000000, -0.0000508700000000 ] - [ 0.0003142200000000, 0.0017289500000000, -0.0003960700000000 ] - [ 0.0002677100000000, 0.0001990800000000, 0.0006632100000000 ] - [ -0.0003282700000000, -0.0015098300000000, 0.0008344200000000 ] - [ -0.0003580100000000, -0.0015116400000000, 0.0020110600000000 ] - [ -0.0006960000000000, -0.0013961700000000, 0.0003130800000000 ] - [ -0.0007974800000000, -0.0012758100000000, 0.0012300000000000 ] - [ 0.0089052500000000, 0.0127409000000000, 0.0227377500000000 ] - [ 0.0003716800000000, -0.0007709500000000, 0.0008715100000000 ] - [ -0.0004733000000000, 0.0020820100000000, 0.0001120000000000 ] - [ -0.0002057400000000, 0.0001377700000000, 0.0005354600000000 ] - [ 0.0003505500000000, 0.0000376500000000, 0.0000145500000000 ] - [ 0.0002412500000000, 0.0009957300000000, 0.0008804300000000 ] - [ -0.0006771000000000, -0.0021104100000000, 0.0006254800000000 ] - [ -0.0003351300000000, 0.0009774000000000, 0.0009908100000000 ] - [ 0.0016086600000000, -0.0028950500000000, 0.0019828300000000 ] - [ -0.0003822400000000, -0.0005950600000000, 0.0004834300000000 ] - [ 0.0000390500000000, -0.0004307500000000, 0.0017034000000000 ] - [ 0.0001380700000000, -0.0004522200000000, 0.0010565400000000 ] - [ 0.0000265200000000, -0.0003186700000000, -0.0001594500000000 ] - [ 0.0007201200000000, 0.0007740400000000, -0.0002737500000000 ] - [ 0.0005363300000000, 0.0008602300000000, 0.0001959100000000 ] - [ 0.0003738500000000, 0.0004929700000000, 0.0009782700000000 ] - [ 0.0003755000000000, 0.0005744700000000, 0.0004036800000000 ] - [ 0.0003642200000000, -0.0004785300000000, 0.0012476900000000 ] - [ -0.0000715000000000, -0.0003584700000000, 0.0006987700000000 ] - [ 0.0000009300000000, 0.0003458300000000, -0.0002915100000000 ] - [ 0.0008483500000000, -0.0034266700000000, -0.0034441300000000 ] - [ -0.0010203600000000, -0.0005831800000000, 0.0036221000000000 ] - [ 0.0002358400000000, 0.0006052200000000, 0.0006219100000000 ] - [ 0.0011171300000000, -0.0048467700000000, 0.0012282700000000 ] - [ 0.0010426900000000, -0.0003577800000000, -0.0002571600000000 ] - [ -0.0022755900000000, 0.0000203900000000, 0.0008061500000000 ] - [ -0.0005252600000000, 0.0003970000000000, 0.0003406500000000 ] - [ -0.0001209300000000, -0.0001562900000000, 0.0002912600000000 ] - [ 0.0000445700000000, -0.0001514400000000, 0.0014995100000000 ] - [ -0.0000533300000000, 0.0009573000000000, 0.0007849700000000 ] - [ -0.0002670400000000, 0.0009347800000000, 0.0003308900000000 ] - [ -0.0111077000000000, 0.0088540800000000, 0.0034541800000000 ] - [ 0.0005134500000000, -0.0031791100000000, -0.0003649600000000 ] - [ 0.0003671500000000, -0.0075587500000000, -0.0017739900000000 ] - [ 0.0005353200000000, 0.0009041800000000, 0.0006443900000000 ] - [ -0.0006173600000000, 0.0015804800000000, 0.0004710100000000 ] - [ 0.0003494100000000, -0.0008784600000000, 0.0010054600000000 ] - [ 0.0027018100000000, -0.0019447500000000, 0.0009408500000000 ] - [ 0.0004457100000000, 0.0046295100000000, -0.0006140900000000 ] - [ -0.0013139500000000, -0.0007698800000000, -0.0012745100000000 ] - [ 0.0001828500000000, -0.0014740100000000, 0.0016184500000000 ] - [ 0.0003740100000000, 0.0005504900000000, -0.0005015000000000 ] - [ -0.0002706800000000, 0.0000454800000000, 0.0004892600000000 ] - [ -0.0002864600000000, 0.0002108100000000, 0.0007581200000000 ] - [ 0.0003292900000000, -0.0000944400000000, -0.0003526400000000 ] - [ -0.0005311400000000, -0.0010188000000000, 0.0011890200000000 ] - [ -0.0005996800000000, 0.0000949900000000, 0.0022627400000000 ] - [ 0.0025561200000000, 0.0003277500000000, -0.0034570800000000 ] - [ -0.0006638100000000, 0.0012813800000000, 0.0002554600000000 ] - [ -0.0001172400000000, 0.0020339500000000, 0.0010198600000000 ] - [ 0.0003564800000000, 0.0003350900000000, 0.0008529800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0010676800000000, 0.0018807000000000, -0.0028170800000000 ] - [ 0.0006882200000000, -0.0003499700000000, -0.0004822000000000 ] - [ -0.0005626500000000, 0.0012203700000000, -0.0000641900000000 ] - [ -0.0002955400000000, 0.0006599500000000, -0.0006577600000000 ] - [ 0.0000755200000000, 0.0005029800000000, 0.0000801300000000 ] - [ -0.0000808600000000, 0.0006696600000000, 0.0003840600000000 ] - [ 0.0001079200000000, 0.0007381900000000, 0.0006268900000000 ] - [ -0.0000540500000000, 0.0004153800000000, 0.0005073400000000 ] - [ -0.0004510000000000, 0.0005919000000000, -0.0007009600000000 ] - [ -0.0008321500000000, -0.0040199400000000, -0.0015054900000000 ] - [ -0.0009446900000000, 0.0010659600000000, -0.0000347000000000 ] - [ -0.0000276100000000, 0.0007209600000000, 0.0004804900000000 ] - [ 0.0000697500000000, 0.0002701300000000, -0.0005764600000000 ] - [ 0.0000134200000000, 0.0004169500000000, 0.0002449300000000 ] - [ -0.0001003700000000, 0.0006188900000000, -0.0000509900000000 ] - [ -0.0008751900000000, 0.0008854100000000, -0.0023979900000000 ] - [ 0.0004400400000000, 0.0004455000000000, -0.0003219700000000 ] - [ 0.0005896600000000, -0.0006329700000000, 0.0003558500000000 ] - [ -0.0016502100000000, -0.0004311300000000, 0.0018262600000000 ] - [ -0.0004771400000000, -0.0003535000000000, 0.0004128600000000 ] - [ 0.0024162000000000, -0.0065892000000000, -0.0032911000000000 ] - [ 0.0039682900000000, 0.0013304800000000, 0.0052343400000000 ] - [ -0.0012466200000000, 0.0000675600000000, 0.0034267300000000 ] - [ -0.0000994800000000, -0.0020301700000000, 0.0003279800000000 ] - [ -0.0004567100000000, -0.0004767700000000, 0.0004798100000000 ] - [ 0.0005739600000000, 0.0011033100000000, 0.0000578100000000 ] - [ -0.0005468300000000, 0.0000104400000000, 0.0007134000000000 ] - [ 0.0002002100000000, 0.0017916700000000, -0.0003682000000000 ] - [ -0.0000877900000000, -0.0002053300000000, 0.0002004100000000 ] - [ 0.0006048100000000, -0.0021430900000000, 0.0008722700000000 ] - [ 0.0006724600000000, -0.0012862600000000, 0.0023404700000000 ] - [ 0.0003143400000000, 0.0005856400000000, -0.0003166400000000 ] - [ 0.0003217700000000, -0.0040152500000000, -0.0013413800000000 ] - [ 0.0007118000000000, 0.0000697200000000, 0.0004083100000000 ] - [ 0.0001523000000000, 0.0017542300000000, -0.0002065300000000 ] - [ 0.0007759000000000, 0.0022321500000000, -0.0004036900000000 ] - [ 0.0001177300000000, 0.0010948100000000, -0.0021269200000000 ] - [ 0.0004908900000000, 0.0017181400000000, -0.0003098000000000 ] - [ -0.0008190900000000, 0.0025802300000000, -0.0015163700000000 ] - [ 0.0049509900000000, -0.0090896800000000, -0.0376255300000000 ] - [ 0.0004754800000000, 0.0003420500000000, -0.0003984800000000 ] - [ -0.0004047500000000, 0.0010618800000000, -0.0002730100000000 ] - [ -0.0001206300000000, 0.0010458800000000, -0.0012948600000000 ] - [ 0.0004660300000000, 0.0011432500000000, -0.0004120800000000 ] - [ 0.0002389400000000, 0.0015994800000000, -0.0007500000000000 ] - [ -0.0008112900000000, 0.0004919700000000, -0.0002190500000000 ] - [ -0.0006679200000000, 0.0021569300000000, 0.0003005500000000 ] - [ -0.0004859500000000, -0.0018930900000000, -0.0022388600000000 ] - [ -0.0002194000000000, 0.0003074200000000, -0.0002504800000000 ] - [ -0.0034750800000000, -0.0029180600000000, -0.0070488300000000 ] - [ 0.0002422900000000, 0.0001719900000000, 0.0009783600000000 ] - [ 0.0004098200000000, -0.0013779200000000, 0.0032345400000000 ] - [ 0.0001493400000000, -0.0007063000000000, -0.0006117700000000 ] - [ 0.0016666400000000, 0.0036184000000000, 0.0091250200000000 ] - [ -0.0008886700000000, 0.0012059100000000, 0.0005419800000000 ] - [ -0.0002758200000000, 0.0017314100000000, -0.0005101500000000 ] - [ 0.0005390100000000, -0.0001758000000000, -0.0001343900000000 ] - [ 0.0008138300000000, -0.0029895800000000, -0.0031078500000000 ] - [ 0.0000618400000000, 0.0000080400000000, 0.0000460400000000 ] - [ 0.0014102800000000, -0.0020881700000000, 0.0013499200000000 ] - [ -0.0002300600000000, -0.0011221500000000, 0.0009668200000000 ] - [ -0.0005836100000000, -0.0021137600000000, 0.0022612300000000 ] - [ -0.0051575200000000, -0.0283751700000000, -0.0349375400000000 ] - [ -0.0002125000000000, 0.0010179100000000, -0.0008106300000000 ] - [ 0.0008858000000000, 0.0864541400000000, 0.0831072900000000 ] - [ -0.0002922000000000, -0.0014512500000000, -0.0000016900000000 ] - [ -0.0001390100000000, -0.0007597600000000, 0.0009565100000000 ] - [ -0.0004441700000000, -0.0017291100000000, 0.0000424300000000 ] - [ -0.0002861500000000, -0.0004628300000000, 0.0002324800000000 ] - [ 0.0001134600000000, -0.0007566900000000, 0.0007549600000000 ] - [ 0.0002908800000000, -0.0001205600000000, -0.0000682700000000 ] - [ -0.0010090900000000, -0.0020570400000000, -0.0002105500000000 ] - [ -0.0004423800000000, -0.0009027700000000, -0.0005065500000000 ] - [ 0.0042177200000000, -0.0006562600000000, 0.0081746800000000 ] - [ -0.0001211400000000, -0.0008850000000000, 0.0000096100000000 ] - [ 0.0002461400000000, -0.0003742200000000, 0.0002046000000000 ] - [ 0.0012676400000000, -0.0181262000000000, -0.0034079000000000 ] - [ -0.0001403600000000, -0.0005348800000000, -0.0000975300000000 ] - [ -0.0003151100000000, -0.0008828900000000, -0.0000844900000000 ] - [ -0.0000271200000000, -0.0003380000000000, 0.0010855600000000 ] - [ 0.0001628100000000, -0.0010115900000000, -0.0002458100000000 ] - [ -0.0000942100000000, -0.0002252600000000, 0.0000948600000000 ] - [ 0.0003297800000000, 0.0015149900000000, 0.0001060900000000 ] - [ 0.0006343500000000, 0.0009163300000000, 0.0005664200000000 ] - [ 0.0004424900000000, 0.0009567100000000, 0.0007907600000000 ] - [ 0.0003054500000000, -0.0002642400000000, 0.0003768600000000 ] - [ 0.0002598100000000, -0.0001728900000000, 0.0006885700000000 ] - [ 0.0000124900000000, -0.0003101200000000, -0.0000857800000000 ] - [ -0.0001203400000000, 0.0001063400000000, -0.0001837400000000 ] - [ -0.0001431900000000, -0.0008757900000000, -0.0003073100000000 ] - [ -0.0005913100000000, -0.0012960900000000, 0.0003287300000000 ] - [ -0.0000925700000000, 0.0000678800000000, 0.0006402600000000 ] - [ 0.0005782300000000, -0.0010541900000000, 0.0003128000000000 ] - [ 0.0010817000000000, 0.0001040100000000, 0.0001317300000000 ] - [ -0.0008874100000000, -0.0011460900000000, -0.0003136500000000 ] - [ -0.0001837300000000, -0.0002400800000000, 0.0005013600000000 ] - [ -0.0059619500000000, -0.0062757300000000, 0.0057601200000000 ] - [ 0.0000944500000000, 0.0000090300000000, 0.0011007100000000 ] - [ 0.0001044800000000, -0.0002572800000000, 0.0004909500000000 ] - [ -0.0000130200000000, -0.0011784200000000, 0.0023799400000000 ] - [ -0.0000261300000000, -0.0002919600000000, 0.0008632700000000 ] - [ 0.0004336800000000, -0.0016853800000000, 0.0001372500000000 ] - [ 0.0000338000000000, -0.0000242700000000, -0.0001832200000000 ] - [ -0.0008714000000000, 0.0000833800000000, -0.0002552300000000 ] - [ -0.0005067000000000, 0.0000494700000000, -0.0001901800000000 ] - [ 0.0003621500000000, -0.0011540700000000, 0.0011462500000000 ] - [ 0.0001199400000000, -0.0005485500000000, -0.0001154200000000 ] - [ 0.0003775100000000, -0.0010351400000000, -0.0004181900000000 ] - [ -0.0002932600000000, -0.0000621000000000, -0.0001753400000000 ] - [ 0.0001943800000000, -0.0009907900000000, 0.0004535000000000 ] - [ 0.0004498600000000, 0.0008268100000000, 0.0018725000000000 ] - [ -0.0002559100000000, -0.0002104900000000, -0.0005343300000000 ] - [ -0.0005774000000000, -0.0010610000000000, 0.0003974900000000 ] - [ 0.0003884000000000, 0.0001443600000000, 0.0014772600000000 ] - [ -0.0004452700000000, -0.0006756700000000, 0.0000277700000000 ] - [ -0.0000100200000000, -0.0005643800000000, 0.0002490600000000 ] - [ 0.0000558400000000, -0.0002572500000000, -0.0002865100000000 ] - [ -0.0000023800000000, -0.0000900100000000, 0.0006669100000000 ] - [ 0.0002924900000000, -0.0003895800000000, -0.0002306100000000 ] - [ 0.0002396000000000, -0.0005959400000000, 0.0009243700000000 ] - [ 0.0002867800000000, -0.0013478800000000, -0.0001413400000000 ] - [ -0.0002263400000000, 0.0003754200000000, -0.0003040200000000 ] - [ 0.0001815200000000, 0.0008248600000000, -0.0002531000000000 ] - [ -0.0002192600000000, -0.0003997300000000, 0.0005546300000000 ] - [ 0.0004936400000000, 0.0013388200000000, -0.0009591500000000 ] - [ -0.0085156800000000, -0.0131567300000000, -0.0204629800000000 ] - [ 0.0002513000000000, 0.0016303600000000, -0.0012447800000000 ] - [ -0.0004438800000000, -0.0002767900000000, 0.0007469800000000 ] - [ -0.0004371700000000, -0.0006951300000000, -0.0018286500000000 ] - [ 0.0003694000000000, -0.0006115800000000, -0.0001569400000000 ] - [ 0.0000611600000000, -0.0010492300000000, -0.0006075000000000 ] - [ 0.0009662600000000, 0.0021852500000000, -0.0003548200000000 ] - [ -0.0002620600000000, -0.0005745900000000, 0.0002948700000000 ] - [ -0.0018553300000000, 0.0024690200000000, -0.0022642600000000 ] - [ -0.0002432700000000, -0.0002435100000000, -0.0008466800000000 ] - [ -0.0000384200000000, 0.0004353500000000, 0.0002530500000000 ] - [ 0.0000512000000000, -0.0002416900000000, -0.0013212300000000 ] - [ -0.0003467000000000, 0.0002541000000000, 0.0004486300000000 ] - [ 0.0010204700000000, 0.0003806300000000, -0.0002351000000000 ] - [ 0.0005965500000000, 0.0004583600000000, 0.0003192900000000 ] - [ 0.0005394300000000, 0.0012818200000000, -0.0000898100000000 ] - [ 0.0003448800000000, -0.0000010100000000, -0.0005453900000000 ] - [ 0.0002324100000000, 0.0008866100000000, 0.0000418700000000 ] - [ 0.0000698600000000, 0.0003621700000000, -0.0010822700000000 ] - [ -0.0002321100000000, 0.0000451800000000, 0.0000409600000000 ] - [ -0.0010272500000000, 0.0027452600000000, 0.0031933700000000 ] - [ -0.0001082000000000, -0.0007323000000000, -0.0031184400000000 ] - [ 0.0000123900000000, 0.0004289900000000, -0.0000327100000000 ] - [ 0.0000158900000000, 0.0035087700000000, -0.0006994100000000 ] - [ 0.0007023600000000, -0.0008098400000000, -0.0002519100000000 ] - [ 0.0005383100000000, -0.0011824800000000, -0.0013212600000000 ] - [ -0.0001934500000000, 0.0001724100000000, -0.0004846600000000 ] - [ -0.0001274200000000, -0.0008834000000000, 0.0002994200000000 ] - [ 0.0001374500000000, 0.0008561400000000, 0.0002619100000000 ] - [ -0.0001947500000000, 0.0000805600000000, -0.0001933000000000 ] - [ -0.0002874100000000, 0.0002020200000000, 0.0001957300000000 ] - [ 0.0109479000000000, -0.0087481700000000, -0.0015192600000000 ] - [ 0.0004060300000000, 0.0013852600000000, 0.0012308500000000 ] - [ -0.0002120300000000, 0.0081157900000000, 0.0015650000000000 ] - [ -0.0022794000000000, 0.0002562000000000, -0.0011577300000000 ] - [ -0.0005143100000000, -0.0002610700000000, 0.0000394600000000 ] - [ 0.0002481800000000, 0.0004714900000000, 0.0002838900000000 ] - [ -0.0024624700000000, 0.0015388600000000, -0.0012447200000000 ] - [ 0.0001746400000000, -0.0055225200000000, 0.0002172600000000 ] - [ 0.0006850200000000, 0.0016451600000000, 0.0008931900000000 ] - [ 0.0000659900000000, 0.0004401500000000, -0.0010289000000000 ] - [ 0.0002685200000000, 0.0000031500000000, -0.0007865800000000 ] - [ -0.0003725900000000, 0.0005129300000000, -0.0017819400000000 ] - [ -0.0003107700000000, -0.0006171700000000, 0.0005265500000000 ] - [ 0.0003146600000000, -0.0004653100000000, -0.0009297400000000 ] - [ -0.0001877600000000, 0.0004498800000000, -0.0013317000000000 ] - [ 0.0004027000000000, 0.0006185900000000, -0.0025105000000000 ] - [ -0.0026858700000000, -0.0003801000000000, 0.0030156000000000 ] - [ 0.0004904200000000, -0.0005794800000000, 0.0014717100000000 ] - [ 0.0003716500000000, -0.0016041700000000, -0.0012989300000000 ] - [ 0.0001983900000000, 0.0008121500000000, -0.0003270500000000 ]- atom: 67 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003470000000000, -0.0002431400000000, -0.0005164100000000 ] - [ 0.0000205200000000, -0.0019162500000000, -0.0000614800000000 ] - [ -0.0025622200000000, 0.0022765900000000, 0.0001763300000000 ] - [ -0.0003255700000000, -0.0001295700000000, -0.0006844400000000 ] - [ -0.0000253200000000, -0.0000031100000000, 0.0003628400000000 ] - [ -0.0001001000000000, 0.0000417700000000, 0.0006992600000000 ] - [ 0.0000680300000000, -0.0000139700000000, -0.0002797300000000 ] - [ -0.0022410800000000, -0.0001648600000000, -0.0028755400000000 ] - [ -0.0004464400000000, 0.0001308300000000, -0.0007760700000000 ] - [ 0.0006627300000000, 0.0005810600000000, -0.0000070300000000 ] - [ -0.0006244600000000, -0.0007378800000000, -0.0000495600000000 ] - [ -0.0000107900000000, 0.0001285000000000, 0.0001571100000000 ] - [ 0.0008056100000000, 0.0010917200000000, -0.0008186300000000 ] - [ 0.0112173000000000, -0.0069991800000000, -0.0162021500000000 ] - [ 0.0030093800000000, 0.0054844800000000, 0.0028647800000000 ] - [ 0.0003706800000000, -0.0001045400000000, -0.0005027100000000 ] - [ 0.0003656800000000, -0.0002330100000000, -0.0003441300000000 ] - [ 0.0006233600000000, -0.0006706500000000, 0.0000879600000000 ] - [ -0.0006506400000000, 0.0006040400000000, 0.0000366400000000 ] - [ -0.0003663200000000, 0.0000840400000000, -0.0004677500000000 ] - [ 0.0000288000000000, -0.0000842100000000, -0.0000309500000000 ] - [ 0.0000056800000000, -0.0000755300000000, 0.0002947900000000 ] - [ -0.0000102000000000, -0.0000767100000000, 0.0005455500000000 ] - [ 0.0000039200000000, -0.0000416500000000, 0.0005636200000000 ] - [ -0.0003788900000000, -0.0000268200000000, -0.0004852900000000 ] - [ 0.0007112900000000, 0.0005818700000000, 0.0002744400000000 ] - [ -0.0007024400000000, -0.0004743100000000, 0.0001040400000000 ] - [ -0.0000566600000000, -0.0001066700000000, -0.0000809500000000 ] - [ 0.0000444100000000, -0.0000162300000000, 0.0000553800000000 ] - [ 0.0000009400000000, -0.0000437200000000, 0.0003172500000000 ] - [ -0.0000369500000000, -0.0000640100000000, 0.0000098800000000 ] - [ 0.0003899500000000, -0.0001275700000000, -0.0003591400000000 ] - [ -0.0002733100000000, -0.0002226500000000, -0.0006630500000000 ] - [ 0.0003497100000000, -0.0007168400000000, 0.0001429000000000 ] - [ 0.0004555900000000, -0.0006301100000000, -0.0006730400000000 ] - [ 0.0275192500000000, 0.0125188300000000, -0.0218931200000000 ] - [ 0.0001671100000000, -0.0006246100000000, -0.0008954200000000 ] - [ 0.0000530500000000, -0.0007405600000000, -0.0004876700000000 ] - [ -0.0001144800000000, -0.0001339300000000, 0.0003148600000000 ] - [ -0.0001737500000000, 0.0004772900000000, -0.0008694700000000 ] - [ 0.0033532700000000, 0.0000939400000000, -0.0013889200000000 ] - [ -0.0067298200000000, 0.0004227700000000, 0.0010533100000000 ] - [ -0.0001476900000000, -0.0009375100000000, -0.0003912600000000 ] - [ -0.0001443600000000, 0.0005406500000000, -0.0007718500000000 ] - [ 0.0015409700000000, 0.0051070600000000, -0.0003618600000000 ] - [ -0.0182393900000000, 0.0005482300000000, -0.0007153500000000 ] - [ -0.0002209800000000, 0.0007366200000000, 0.0008254200000000 ] - [ -0.0002977200000000, -0.0000193600000000, -0.0006023700000000 ] - [ -0.0004215200000000, 0.0001755200000000, 0.0004442300000000 ] - [ 0.0007499800000000, -0.0010613600000000, -0.0000010200000000 ] - [ 0.0003451500000000, -0.0000484000000000, -0.0001509300000000 ] - [ 0.0007423200000000, 0.0008092000000000, 0.0000972400000000 ] - [ -0.0005809700000000, -0.0004316000000000, -0.0009999900000000 ] - [ 0.0002728200000000, -0.0001642900000000, -0.0003054000000000 ] - [ -0.0004701800000000, -0.0002087700000000, -0.0004709400000000 ] - [ 0.0010583900000000, 0.0003364500000000, -0.0003418200000000 ] - [ 0.0005109100000000, 0.0000446700000000, -0.0006233800000000 ] - [ -0.0004870500000000, -0.0001306300000000, -0.0005766900000000 ] - [ -0.0001924500000000, -0.0008563600000000, -0.0007539300000000 ] - [ 0.0004819900000000, -0.0001048500000000, -0.0005842600000000 ] - [ 0.0001646000000000, 0.0005050700000000, -0.0009061800000000 ] - [ -0.0007386400000000, -0.0010784600000000, 0.0000749300000000 ] - [ -0.0007578800000000, 0.0007794500000000, -0.0000010500000000 ] - [ -0.0003006900000000, 0.0000455400000000, -0.0002329000000000 ] - [ 0.0002760100000000, -0.0004723700000000, 0.0003123300000000 ] - [ -0.0026254800000000, -0.0064409300000000, -0.0084339800000000 ] - [ -0.0655345800000000, -0.0145989500000000, 0.0543176500000000 ] - [ 0.0001086100000000, -0.0002940000000000, 0.0006897500000000 ] - [ -0.0000201200000000, 0.0003253800000000, 0.0000661400000000 ] - [ -0.0000257800000000, -0.0003668800000000, 0.0006792500000000 ] - [ 0.0061648400000000, -0.0004700700000000, 0.0011954900000000 ] - [ -0.0004885800000000, 0.0010328500000000, 0.0002212400000000 ] - [ -0.0003500900000000, -0.0002143400000000, -0.0004298900000000 ] - [ 0.0003533300000000, -0.0002353500000000, -0.0000731900000000 ] - [ -0.0002113800000000, -0.0004867700000000, 0.0000038300000000 ] - [ 0.0032653500000000, -0.0026061100000000, 0.0020259200000000 ] - [ -0.0002989800000000, 0.0002634400000000, 0.0006071500000000 ] - [ 0.0000169000000000, -0.0002564600000000, -0.0002519400000000 ] - [ -0.0032364500000000, 0.0021504300000000, -0.0019489000000000 ] - [ 0.0258789400000000, 0.0048335200000000, -0.0114970600000000 ] - [ 0.0017515700000000, -0.0014058200000000, -0.0009725000000000 ] - [ -0.0008149900000000, 0.0024680600000000, 0.0017279200000000 ] - [ 0.0009132600000000, 0.0005846400000000, -0.0002159100000000 ] - [ 0.0008000200000000, 0.0006318300000000, 0.0003183200000000 ] - [ 0.0001592500000000, 0.0009171100000000, 0.0006940300000000 ] - [ 0.0003819900000000, 0.0006106400000000, -0.0003717500000000 ] - [ 0.0000856300000000, -0.0013092100000000, 0.0003914400000000 ] - [ 0.0029610000000000, -0.0033602400000000, 0.0095480100000000 ] - [ -0.0005567100000000, -0.0025294400000000, -0.0010915100000000 ] - [ -0.0004783800000000, -0.0020766000000000, 0.0007292100000000 ] - [ -0.0018235500000000, -0.0000092600000000, 0.0002596600000000 ] - [ 0.0001283600000000, 0.0005229200000000, 0.0003345700000000 ] - [ 0.0005275800000000, -0.0006743000000000, -0.0000740200000000 ] - [ 0.0008376700000000, -0.0006001300000000, -0.0001711400000000 ] - [ -0.0009561400000000, -0.0002781500000000, -0.0002135700000000 ] - [ -0.0003681500000000, 0.0003125500000000, -0.0000013000000000 ] - [ -0.0001134100000000, -0.0004604000000000, 0.0002843100000000 ] - [ 0.0084969500000000, -0.0021916300000000, 0.0060795900000000 ] - [ -0.0001798300000000, 0.0005984500000000, 0.0002394000000000 ] - [ -0.0002733200000000, 0.0006240800000000, 0.0002679200000000 ] - [ 0.0000104500000000, -0.0000417300000000, 0.0008296000000000 ] - [ 0.0004766400000000, -0.0009653100000000, 0.0003378100000000 ] - [ -0.0007572800000000, -0.0004399800000000, -0.0014762500000000 ] - [ -0.0010118700000000, 0.0008002600000000, -0.0001908000000000 ] - [ -0.0005401600000000, 0.0006250700000000, 0.0001438800000000 ] - [ 0.0003437000000000, -0.0002282700000000, 0.0006326600000000 ] - [ 0.0069658300000000, 0.0068809100000000, -0.0076614300000000 ] - [ 0.0002008800000000, -0.0007326500000000, -0.0005251200000000 ] - [ -0.0003010500000000, 0.0004034900000000, -0.0003915600000000 ] - [ 0.0006559800000000, -0.0010214100000000, 0.0007930100000000 ] - [ 0.0003192100000000, 0.0003279800000000, -0.0005804200000000 ] - [ -0.0001588100000000, 0.0003228700000000, -0.0003659900000000 ] - [ -0.0003040400000000, 0.0000990800000000, 0.0004437000000000 ] - [ 0.0003044700000000, -0.0000989700000000, -0.0005059100000000 ] - [ -0.0007234700000000, 0.0003263400000000, 0.0006067800000000 ] - [ -0.0003915300000000, 0.0010517200000000, -0.0020577900000000 ] - [ -0.0000726400000000, -0.0000790400000000, -0.0000005300000000 ] - [ 0.0000148100000000, 0.0002480900000000, 0.0007327200000000 ] - [ 0.0002349700000000, 0.0001234400000000, -0.0004234300000000 ] - [ 0.0021445500000000, 0.0020445300000000, -0.0003339500000000 ] - [ 0.0001721600000000, -0.0006592600000000, -0.0000059200000000 ] - [ -0.0002759700000000, -0.0004910300000000, 0.0002869300000000 ] - [ -0.0000833000000000, -0.0003091900000000, 0.0008625100000000 ] - [ -0.0004681900000000, -0.0007953300000000, 0.0004315700000000 ] - [ -0.0001411300000000, 0.0000755200000000, 0.0001358300000000 ] - [ 0.0000864200000000, -0.0002984500000000, 0.0008947700000000 ] - [ 0.0003131900000000, 0.0004773300000000, -0.0001996700000000 ] - [ -0.0004522600000000, 0.0010986500000000, 0.0003708100000000 ] - [ -0.0003211000000000, -0.0002967900000000, -0.0007309900000000 ] - [ 0.0004922400000000, -0.0001076200000000, -0.0003914200000000 ] - [ 0.0001701600000000, 0.0000473100000000, 0.0001463500000000 ] - [ 0.0001414000000000, 0.0000777800000000, 0.0001219500000000 ] - [ -0.0002491800000000, 0.0003262900000000, 0.0006417900000000 ] - [ -0.0001227000000000, -0.0001751500000000, -0.0001346200000000 ] - [ -0.0003149900000000, -0.0003870700000000, -0.0002017400000000 ] - [ 0.0000056200000000, 0.0000340000000000, 0.0009604800000000 ] - [ 0.0000875100000000, -0.0002832400000000, -0.0001190700000000 ] - [ -0.0001464900000000, -0.0000255300000000, 0.0001436000000000 ] - [ 0.0009667600000000, 0.0005606800000000, -0.0003507900000000 ] - [ 0.0005645500000000, 0.0006694600000000, 0.0002207200000000 ] - [ 0.0005078100000000, 0.0007529100000000, 0.0003137900000000 ] - [ 0.0003460800000000, 0.0003374700000000, -0.0001297700000000 ] - [ 0.0002952900000000, 0.0002852900000000, 0.0007125800000000 ] - [ -0.0000023300000000, 0.0000298000000000, -0.0002049400000000 ] - [ -0.0001447200000000, 0.0002120100000000, -0.0001365500000000 ] - [ -0.0000898700000000, -0.0002929700000000, -0.0001122200000000 ] - [ -0.0005628300000000, -0.0006247600000000, 0.0002291000000000 ] - [ 0.0000798900000000, 0.0004294900000000, 0.0002234400000000 ] - [ 0.0005586700000000, -0.0005769800000000, 0.0002799400000000 ] - [ 0.0007610000000000, -0.0006086400000000, -0.0003539100000000 ] - [ -0.0009004800000000, -0.0005624300000000, -0.0003035900000000 ] - [ -0.0003527000000000, 0.0002009000000000, -0.0000344800000000 ] - [ -0.0000659600000000, -0.0002918400000000, -0.0001413700000000 ] - [ 0.0000859200000000, 0.0003826300000000, 0.0008448800000000 ] - [ -0.0001133500000000, 0.0005811000000000, 0.0002601700000000 ] - [ -0.0001366700000000, 0.0001556200000000, 0.0003083000000000 ] - [ -0.0000006100000000, 0.0000372100000000, 0.0009908600000000 ] - [ 0.0004583800000000, -0.0008366900000000, 0.0004976300000000 ] - [ 0.0000989900000000, 0.0003826600000000, -0.0001212300000000 ] - [ -0.0008587900000000, 0.0006197300000000, -0.0002986600000000 ] - [ -0.0005821300000000, 0.0008121200000000, 0.0003177500000000 ] - [ 0.0002932600000000, -0.0002661700000000, 0.0007332900000000 ] - [ 0.0001292200000000, -0.0001662500000000, -0.0001549200000000 ] - [ 0.0003084700000000, -0.0003568200000000, -0.0001577500000000 ] - [ -0.0003142400000000, 0.0004862700000000, -0.0001867100000000 ] - [ 0.0001286000000000, -0.0004873000000000, 0.0002903200000000 ] - [ 0.0003272200000000, 0.0003342100000000, -0.0008389800000000 ] - [ -0.0003206500000000, 0.0002919100000000, -0.0006865500000000 ] - [ -0.0002989300000000, -0.0000046200000000, 0.0005346900000000 ] - [ 0.0003153600000000, -0.0002674100000000, -0.0008140400000000 ] - [ -0.0003600800000000, -0.0002561700000000, -0.0000709400000000 ] - [ -0.0001005800000000, 0.0004418800000000, -0.0001748500000000 ] - [ 0.0000007900000000, 0.0000316000000000, -0.0001794300000000 ] - [ -0.0000988800000000, 0.0004059900000000, 0.0009023800000000 ] - [ 0.0001293200000000, 0.0002773800000000, -0.0001502400000000 ] - [ 0.0002814500000000, 0.0007052900000000, 0.0001765800000000 ]- atom: 67 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003905600000000, 0.0001444600000000, -0.0004696600000000 ] - [ 0.0012873400000000, 0.0006320000000000, 0.0000952900000000 ] - [ 0.0012810900000000, -0.0009629300000000, -0.0001454500000000 ] - [ -0.0004140200000000, 0.0002264000000000, -0.0002996900000000 ] - [ 0.0001052000000000, -0.0000227300000000, -0.0003817000000000 ] - [ 0.0001045400000000, -0.0000419900000000, -0.0000897700000000 ] - [ -0.0000705000000000, 0.0000142200000000, 0.0013837300000000 ] - [ 0.0022819600000000, 0.0001819000000000, 0.0040029400000000 ] - [ -0.0002904100000000, -0.0002328500000000, -0.0002053300000000 ] - [ 0.0006283300000000, 0.0007119300000000, 0.0000317700000000 ] - [ -0.0006671100000000, -0.0005540100000000, 0.0000753800000000 ] - [ -0.0000678400000000, -0.0001023300000000, -0.0001723800000000 ] - [ -0.0007433400000000, -0.0010701800000000, 0.0008070000000000 ] - [ -0.0114589700000000, 0.0072319200000000, 0.0174054600000000 ] - [ -0.0030903500000000, -0.0056851800000000, -0.0029061700000000 ] - [ 0.0003681100000000, 0.0002047200000000, -0.0004824500000000 ] - [ 0.0003720700000000, 0.0001364400000000, -0.0006416000000000 ] - [ 0.0006681400000000, -0.0006215700000000, -0.0000639200000000 ] - [ -0.0006403900000000, 0.0006882900000000, -0.0000116800000000 ] - [ -0.0003721900000000, 0.0000142800000000, -0.0005162000000000 ] - [ 0.0000503300000000, 0.0000586300000000, 0.0000164400000000 ] - [ -0.0000055200000000, 0.0000759900000000, 0.0003158900000000 ] - [ 0.0000100000000000, 0.0000771000000000, 0.0005611500000000 ] - [ -0.0000040000000000, 0.0000416600000000, 0.0005431000000000 ] - [ -0.0003587700000000, -0.0000728100000000, -0.0004987500000000 ] - [ 0.0005793500000000, 0.0007111100000000, -0.0002529400000000 ] - [ -0.0005889800000000, -0.0008185600000000, -0.0000806100000000 ] - [ -0.0000218700000000, 0.0001336500000000, 0.0000672100000000 ] - [ 0.0000345000000000, 0.0000425700000000, -0.0000707700000000 ] - [ -0.0000007200000000, 0.0000437700000000, 0.0002932700000000 ] - [ -0.0000420400000000, 0.0000379500000000, -0.0000243500000000 ] - [ 0.0003484000000000, 0.0002291700000000, -0.0006263700000000 ] - [ -0.0003485300000000, 0.0000984000000000, -0.0001928800000000 ] - [ 0.0011439700000000, -0.0011459700000000, -0.0000605000000000 ] - [ 0.0001608200000000, 0.0007635400000000, -0.0001805600000000 ] - [ -0.0263044000000000, -0.0106232500000000, 0.0219384800000000 ] - [ 0.0001874500000000, -0.0005934800000000, -0.0008307700000000 ] - [ 0.0005708000000000, 0.0006114400000000, -0.0003658800000000 ] - [ -0.0008404700000000, 0.0001344000000000, -0.0014402700000000 ] - [ -0.0001808000000000, 0.0007407400000000, -0.0008570600000000 ] - [ -0.0023901400000000, -0.0000970600000000, 0.0002795200000000 ] - [ 0.0057896200000000, -0.0004214700000000, -0.0021799300000000 ] - [ -0.0002072200000000, -0.0003000900000000, -0.0013298400000000 ] - [ 0.0011004700000000, -0.0005273400000000, -0.0003339800000000 ] - [ -0.0012014900000000, -0.0039401000000000, -0.0013870300000000 ] - [ 0.0166811300000000, -0.0024183600000000, 0.0008728300000000 ] - [ -0.0012732800000000, 0.0011194500000000, -0.0007409500000000 ] - [ -0.0003246100000000, 0.0001460300000000, -0.0002565700000000 ] - [ -0.0001990800000000, -0.0003051000000000, -0.0013145400000000 ] - [ 0.0007449600000000, -0.0007976800000000, 0.0000895900000000 ] - [ 0.0002769700000000, 0.0001742800000000, -0.0007069500000000 ] - [ 0.0007523700000000, 0.0010506000000000, -0.0000089600000000 ] - [ 0.0009334200000000, -0.0007871400000000, -0.0007260900000000 ] - [ 0.0003494700000000, 0.0000388000000000, -0.0005555600000000 ] - [ -0.0004854400000000, 0.0002072900000000, -0.0006422800000000 ] - [ -0.0014178500000000, 0.0008875700000000, -0.0013907800000000 ] - [ 0.0004446300000000, -0.0000484400000000, -0.0004891000000000 ] - [ -0.0004690300000000, 0.0001332000000000, -0.0005367100000000 ] - [ -0.0001618400000000, -0.0003585600000000, -0.0009732400000000 ] - [ 0.0004737600000000, 0.0001079800000000, -0.0005282900000000 ] - [ 0.0001900300000000, 0.0007128800000000, -0.0008196800000000 ] - [ -0.0007561300000000, -0.0007798200000000, 0.0000130100000000 ] - [ -0.0007369100000000, 0.0010801300000000, 0.0000897100000000 ] - [ -0.0003205700000000, 0.0000833100000000, -0.0006303000000000 ] - [ 0.0002783000000000, -0.0006703500000000, 0.0002116700000000 ] - [ 0.0020144300000000, 0.0052931900000000, 0.0089846000000000 ] - [ 0.0656428900000000, 0.0136658900000000, -0.0529727200000000 ] - [ -0.0010264400000000, -0.0015223100000000, 0.0001673100000000 ] - [ -0.0002789700000000, -0.0002681100000000, 0.0002091200000000 ] - [ 0.0002026900000000, -0.0003282300000000, 0.0010757400000000 ] - [ -0.0055755900000000, 0.0012977000000000, -0.0015804700000000 ] - [ -0.0004264900000000, 0.0007672300000000, 0.0006463000000000 ] - [ -0.0002927000000000, -0.0003428000000000, -0.0008645900000000 ] - [ 0.0003663800000000, -0.0003358800000000, -0.0000698600000000 ] - [ 0.0005190900000000, 0.0004291000000000, 0.0002738600000000 ] - [ -0.0029492700000000, 0.0026493500000000, -0.0017375200000000 ] - [ -0.0002982500000000, 0.0001413200000000, 0.0006792700000000 ] - [ -0.0002746400000000, -0.0001580800000000, -0.0000270200000000 ] - [ 0.0025709900000000, -0.0030212000000000, 0.0016087600000000 ] - [ -0.0254323800000000, -0.0046911900000000, 0.0132319900000000 ] - [ -0.0015464700000000, 0.0006835000000000, 0.0006711800000000 ] - [ 0.0005066400000000, -0.0025023100000000, -0.0014495500000000 ] - [ 0.0008285100000000, 0.0005760000000000, -0.0002950700000000 ] - [ 0.0003333700000000, 0.0006942900000000, 0.0001959400000000 ] - [ 0.0007576300000000, 0.0008853400000000, 0.0001670300000000 ] - [ 0.0003450000000000, -0.0000369400000000, 0.0002323700000000 ] - [ 0.0005135300000000, 0.0017239800000000, 0.0008987400000000 ] - [ -0.0029525800000000, 0.0033794700000000, -0.0100442800000000 ] - [ 0.0003043000000000, 0.0029590400000000, 0.0008167900000000 ] - [ 0.0003024100000000, 0.0013975000000000, -0.0009938500000000 ] - [ 0.0006841100000000, -0.0013147000000000, 0.0002500500000000 ] - [ 0.0001196600000000, 0.0005133900000000, 0.0002545800000000 ] - [ 0.0006050000000000, -0.0006490500000000, 0.0005912200000000 ] - [ 0.0009060400000000, -0.0005604700000000, -0.0003398200000000 ] - [ -0.0007871700000000, -0.0008835100000000, -0.0002982600000000 ] - [ -0.0003509800000000, 0.0002585000000000, -0.0001430300000000 ] - [ -0.0001343800000000, -0.0005758500000000, 0.0003051600000000 ] - [ -0.0083692100000000, 0.0029459200000000, -0.0043339900000000 ] - [ -0.0000761600000000, 0.0004386400000000, 0.0003557600000000 ] - [ -0.0002815800000000, 0.0005185000000000, 0.0002559200000000 ] - [ -0.0000095900000000, 0.0000422900000000, 0.0011243800000000 ] - [ 0.0004390700000000, -0.0008390500000000, 0.0005262500000000 ] - [ 0.0009433300000000, 0.0011521700000000, 0.0012238800000000 ] - [ -0.0007309300000000, 0.0003640600000000, -0.0003251000000000 ] - [ -0.0005921000000000, 0.0006983800000000, 0.0003691200000000 ] - [ 0.0002531000000000, -0.0001763100000000, 0.0006547200000000 ] - [ -0.0067735300000000, -0.0073885500000000, 0.0074765400000000 ] - [ 0.0004233000000000, -0.0001163400000000, 0.0001542300000000 ] - [ -0.0003222200000000, 0.0004486200000000, 0.0000196100000000 ] - [ -0.0004161200000000, -0.0000045200000000, -0.0002068200000000 ] - [ 0.0003236400000000, 0.0002290700000000, -0.0007103000000000 ] - [ -0.0004815300000000, 0.0002331700000000, -0.0009288900000000 ] - [ -0.0002933100000000, -0.0004977000000000, 0.0008423200000000 ] - [ 0.0003401100000000, -0.0004626000000000, -0.0007869400000000 ] - [ 0.0000108900000000, -0.0009031000000000, -0.0007573000000000 ] - [ 0.0001885400000000, -0.0003641900000000, 0.0018402000000000 ] - [ 0.0000700000000000, 0.0000793500000000, -0.0003836400000000 ] - [ -0.0001916100000000, 0.0004486500000000, 0.0010209600000000 ] - [ 0.0000137300000000, 0.0002897000000000, 0.0001464600000000 ] - [ -0.0015737200000000, -0.0008488600000000, 0.0008207200000000 ] - [ 0.0003821600000000, -0.0004805500000000, 0.0005335500000000 ] - [ -0.0002783400000000, -0.0006515600000000, 0.0002373800000000 ] - [ -0.0000937300000000, -0.0003866500000000, 0.0008900400000000 ] - [ -0.0004475900000000, -0.0010066100000000, 0.0004330000000000 ] - [ -0.0001630600000000, -0.0000163600000000, 0.0001392200000000 ] - [ 0.0000902900000000, -0.0003978800000000, 0.0008578700000000 ] - [ 0.0003104600000000, 0.0003736000000000, -0.0001733300000000 ] - [ -0.0004640600000000, 0.0007036300000000, 0.0004929200000000 ] - [ -0.0003216100000000, -0.0002603000000000, -0.0005590400000000 ] - [ 0.0002268700000000, -0.0004661400000000, 0.0002532900000000 ] - [ 0.0001344800000000, -0.0001069100000000, 0.0001287400000000 ] - [ 0.0001631500000000, -0.0000182100000000, 0.0001535000000000 ] - [ -0.0003482800000000, 0.0000756300000000, 0.0006427000000000 ] - [ -0.0001304200000000, -0.0002378400000000, -0.0001454800000000 ] - [ -0.0003083300000000, -0.0004642000000000, -0.0001706200000000 ] - [ -0.0000057900000000, -0.0000339800000000, 0.0009914000000000 ] - [ 0.0001033700000000, -0.0004219000000000, -0.0001451500000000 ] - [ -0.0001581800000000, -0.0000335100000000, 0.0001319700000000 ] - [ 0.0007746700000000, 0.0005995000000000, -0.0001581600000000 ] - [ 0.0005677300000000, 0.0006534800000000, 0.0002937800000000 ] - [ 0.0004072300000000, 0.0010515800000000, 0.0005525000000000 ] - [ 0.0003736200000000, 0.0002328500000000, -0.0000132100000000 ] - [ 0.0003020900000000, 0.0001194900000000, 0.0005733700000000 ] - [ 0.0000024100000000, -0.0000296300000000, -0.0001807600000000 ] - [ -0.0001078900000000, 0.0002013500000000, -0.0001432000000000 ] - [ -0.0001008300000000, -0.0004117500000000, -0.0001515900000000 ] - [ -0.0005692600000000, -0.0006983600000000, 0.0002846100000000 ] - [ 0.0001684700000000, 0.0006074500000000, 0.0003666600000000 ] - [ 0.0005737300000000, -0.0007471500000000, 0.0002331800000000 ] - [ 0.0009829200000000, -0.0005520600000000, -0.0001550300000000 ] - [ -0.0008430700000000, -0.0005976000000000, -0.0002067000000000 ] - [ -0.0003668800000000, 0.0003708100000000, -0.0001088800000000 ] - [ -0.0001809700000000, -0.0007470400000000, 0.0007346500000000 ] - [ 0.0000911600000000, 0.0003131200000000, 0.0009075000000000 ] - [ -0.0001345600000000, 0.0004542700000000, 0.0003290600000000 ] - [ -0.0004167500000000, 0.0009901000000000, 0.0002154600000000 ] - [ 0.0000005400000000, -0.0000373600000000, 0.0009608500000000 ] - [ 0.0004570500000000, -0.0009663400000000, 0.0003668400000000 ] - [ 0.0000919700000000, 0.0003224100000000, -0.0001429900000000 ] - [ -0.0008832200000000, 0.0005409800000000, -0.0002115400000000 ] - [ -0.0005497700000000, 0.0005101900000000, 0.0001953300000000 ] - [ 0.0003041000000000, -0.0001376900000000, 0.0005524200000000 ] - [ 0.0001236700000000, -0.0002467000000000, -0.0001246700000000 ] - [ 0.0003153200000000, -0.0004942600000000, -0.0002147100000000 ] - [ -0.0003092700000000, 0.0003646500000000, -0.0001864400000000 ] - [ 0.0001194200000000, -0.0005485100000000, 0.0002990500000000 ] - [ 0.0003156100000000, 0.0002220300000000, -0.0004498500000000 ] - [ -0.0003221900000000, 0.0002652900000000, -0.0006041300000000 ] - [ -0.0002981500000000, -0.0004037100000000, 0.0007521500000000 ] - [ 0.0003274600000000, -0.0002894300000000, -0.0004748700000000 ] - [ -0.0003592100000000, -0.0003146900000000, -0.0000729400000000 ] - [ -0.0000901000000000, 0.0002629400000000, -0.0000890300000000 ] - [ -0.0000008500000000, -0.0000317600000000, -0.0002059500000000 ] - [ -0.0000779400000000, 0.0002896700000000, 0.0008495200000000 ] - [ 0.0001234900000000, 0.0001353400000000, -0.0001296300000000 ] - [ 0.0002731300000000, 0.0004359600000000, 0.0003483600000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003999900000000, -0.0010304300000000, -0.0001996300000000 ] - [ -0.0025578600000000, -0.0037115000000000, -0.0014390000000000 ] - [ 0.0015550400000000, 0.0007126900000000, -0.0007354700000000 ] - [ -0.0007286000000000, -0.0010737100000000, -0.0008427000000000 ] - [ 0.0000463300000000, 0.0008155800000000, 0.0003274500000000 ] - [ -0.0001821300000000, 0.0013752800000000, 0.0008563300000000 ] - [ 0.0001615500000000, 0.0013346400000000, 0.0015322100000000 ] - [ -0.0002649500000000, 0.0036609300000000, -0.0009962800000000 ] - [ -0.0000936600000000, -0.0006556700000000, -0.0010408100000000 ] - [ 0.0007949800000000, -0.0000718600000000, 0.0000215000000000 ] - [ -0.0005857800000000, -0.0014883900000000, -0.0000118100000000 ] - [ -0.0001952300000000, 0.0004631800000000, 0.0001990400000000 ] - [ 0.0029670700000000, -0.0022667000000000, -0.0006681700000000 ] - [ -0.0107678800000000, 0.0075508500000000, 0.0101350000000000 ] - [ 0.0020509300000000, 0.0103849200000000, 0.0063696700000000 ] - [ 0.0003439500000000, -0.0008971900000000, -0.0002872400000000 ] - [ 0.0002425300000000, -0.0004716000000000, -0.0001708100000000 ] - [ 0.0005731000000000, -0.0011064500000000, 0.0000277700000000 ] - [ -0.0007316600000000, 0.0001327300000000, 0.0000457900000000 ] - [ -0.0003974400000000, -0.0003672300000000, -0.0005922500000000 ] - [ -0.0000647400000000, -0.0008178600000000, -0.0000466300000000 ] - [ 0.0000455400000000, -0.0006943100000000, 0.0003077900000000 ] - [ -0.0000943900000000, -0.0007032800000000, 0.0005565600000000 ] - [ 0.0000831500000000, -0.0006438300000000, 0.0005508000000000 ] - [ -0.0003743700000000, -0.0004289300000000, -0.0005932000000000 ] - [ 0.0004610600000000, 0.0012230900000000, 0.0003729100000000 ] - [ -0.0006872200000000, -0.0003417800000000, 0.0001706300000000 ] - [ -0.0001038300000000, -0.0008998100000000, -0.0000619700000000 ] - [ 0.0000634100000000, -0.0005091400000000, 0.0000555300000000 ] - [ -0.0000408200000000, -0.0006206800000000, 0.0003007600000000 ] - [ 0.0000014600000000, -0.0006057800000000, -0.0000200400000000 ] - [ 0.0004909600000000, -0.0003453900000000, -0.0001502600000000 ] - [ -0.0002007100000000, -0.0021304400000000, -0.0014436400000000 ] - [ 0.0004939300000000, 0.0019948800000000, 0.0015323200000000 ] - [ 0.0007063300000000, -0.0016731800000000, 0.0001248600000000 ] - [ 0.0102692300000000, 0.0527196200000000, -0.0438334900000000 ] - [ 0.0001870800000000, -0.0016158600000000, -0.0009055400000000 ] - [ -0.0014487000000000, -0.0050784900000000, 0.0014876700000000 ] - [ -0.0005378400000000, -0.0002838700000000, 0.0022797500000000 ] - [ -0.0001038000000000, -0.0006298200000000, -0.0009818200000000 ] - [ -0.0000183400000000, 0.0004427500000000, -0.0033061400000000 ] - [ -0.0040071600000000, 0.0010619500000000, 0.0010179100000000 ] - [ -0.0001267100000000, -0.0010829300000000, 0.0004753400000000 ] - [ 0.0004671700000000, 0.0027607300000000, -0.0010180600000000 ] - [ 0.0006370900000000, -0.0013566000000000, -0.0034303300000000 ] - [ -0.0000639100000000, 0.0070806800000000, 0.0007913500000000 ] - [ -0.0007774100000000, 0.0039599500000000, -0.0004259300000000 ] - [ -0.0003866300000000, -0.0018103400000000, -0.0011504100000000 ] - [ -0.0002026200000000, -0.0007176800000000, -0.0012294400000000 ] - [ 0.0007222300000000, -0.0025288800000000, -0.0000430800000000 ] - [ 0.0004714800000000, -0.0008983900000000, 0.0002367500000000 ] - [ 0.0007618400000000, -0.0004818500000000, 0.0001899500000000 ] - [ 0.0003164900000000, -0.0001135200000000, -0.0023612900000000 ] - [ 0.0001542800000000, -0.0009349000000000, -0.0001948600000000 ] - [ -0.0004107700000000, -0.0014492500000000, -0.0000848000000000 ] - [ 0.0002518800000000, 0.0015206700000000, 0.0021422000000000 ] - [ 0.0004616600000000, -0.0011971900000000, -0.0005030000000000 ] - [ -0.0005167200000000, -0.0012767600000000, -0.0007180100000000 ] - [ -0.0002667100000000, -0.0019745600000000, -0.0003260300000000 ] - [ 0.0005418400000000, -0.0013128100000000, -0.0008992900000000 ] - [ 0.0000545700000000, -0.0006978400000000, -0.0013155700000000 ] - [ -0.0007233400000000, -0.0023354000000000, -0.0000169800000000 ] - [ -0.0007981000000000, -0.0007217400000000, 0.0000412100000000 ] - [ -0.0002297300000000, 0.0000828400000000, -0.0003813600000000 ] - [ 0.0002646000000000, 0.0004605600000000, 0.0006719600000000 ] - [ -0.0042863600000000, -0.0017726900000000, 0.0131849600000000 ] - [ -0.0140956900000000, -0.0820433300000000, 0.0451441200000000 ] - [ -0.0004625800000000, -0.0006254500000000, -0.0000060400000000 ] - [ -0.0003424300000000, -0.0012947800000000, 0.0003844600000000 ] - [ 0.0001076700000000, -0.0011977700000000, 0.0005007300000000 ] - [ 0.0049211200000000, -0.0046792600000000, 0.0020835500000000 ] - [ -0.0004568000000000, 0.0014825400000000, -0.0001115100000000 ] - [ -0.0000815500000000, 0.0008745100000000, -0.0001398900000000 ] - [ 0.0002810200000000, 0.0002128400000000, -0.0001625100000000 ] - [ -0.0002321700000000, -0.0005260000000000, -0.0005638200000000 ] - [ 0.0005585200000000, -0.0017509900000000, 0.0001299700000000 ] - [ -0.0003349900000000, 0.0007604000000000, 0.0005700100000000 ] - [ -0.0004707200000000, -0.0011258900000000, 0.0001332900000000 ] - [ 0.0033853500000000, 0.0135660600000000, -0.0089282300000000 ] - [ 0.0083836100000000, -0.0035149900000000, -0.0032771200000000 ] - [ -0.0002280200000000, -0.0029649000000000, -0.0007001200000000 ] - [ 0.0002614600000000, 0.0002595200000000, 0.0019150700000000 ] - [ 0.0009624600000000, 0.0011072300000000, -0.0001123200000000 ] - [ 0.0005127000000000, 0.0013498300000000, 0.0005573600000000 ] - [ 0.0003558700000000, 0.0016371200000000, 0.0011914300000000 ] - [ -0.0001286100000000, 0.0008856600000000, -0.0011910800000000 ] - [ 0.0002646800000000, 0.0014202600000000, 0.0015707000000000 ] - [ -0.0028416500000000, -0.0024689100000000, -0.0039616700000000 ] - [ 0.0002687200000000, 0.0023144500000000, 0.0021644100000000 ] - [ 0.0009099000000000, -0.0024157200000000, -0.0023698700000000 ] - [ -0.0027272900000000, 0.0056765500000000, -0.0014054900000000 ] - [ 0.0002952400000000, 0.0010897500000000, 0.0005504200000000 ] - [ 0.0006366100000000, -0.0008189800000000, 0.0005477700000000 ] - [ 0.0007257300000000, 0.0000813300000000, -0.0000213400000000 ] - [ -0.0017136400000000, 0.0006254200000000, -0.0004884600000000 ] - [ -0.0005060300000000, 0.0007541200000000, 0.0001429400000000 ] - [ -0.0000540200000000, 0.0000882100000000, 0.0001058400000000 ] - [ -0.0024746600000000, -0.0006682900000000, 0.0001798300000000 ] - [ 0.0003941400000000, 0.0010409600000000, -0.0007122000000000 ] - [ -0.0002829400000000, 0.0015567800000000, -0.0000747100000000 ] - [ -0.0001684600000000, -0.0006843400000000, 0.0008043400000000 ] - [ 0.0005509700000000, -0.0015890800000000, 0.0000922500000000 ] - [ 0.0001084200000000, -0.0016076700000000, 0.0011511900000000 ] - [ -0.0003585800000000, 0.0011892000000000, -0.0004429000000000 ] - [ -0.0005721100000000, 0.0007424400000000, 0.0000622200000000 ] - [ 0.0003184300000000, 0.0000313300000000, 0.0008863800000000 ] - [ 0.0076116500000000, 0.0014509700000000, -0.0088982100000000 ] - [ 0.0003528000000000, -0.0012269100000000, -0.0001168300000000 ] - [ -0.0003104900000000, -0.0005511400000000, -0.0005259600000000 ] - [ -0.0003513500000000, -0.0005236200000000, 0.0009464200000000 ] - [ 0.0003864700000000, 0.0008628900000000, -0.0006287000000000 ] - [ -0.0002782400000000, 0.0008618800000000, -0.0004325400000000 ] - [ -0.0002348500000000, 0.0006854400000000, -0.0001613500000000 ] - [ 0.0000422100000000, 0.0011167300000000, -0.0003275900000000 ] - [ 0.0004954100000000, 0.0013139300000000, 0.0012919800000000 ] - [ 0.0008892600000000, -0.0003267100000000, -0.0041071100000000 ] - [ 0.0004793600000000, -0.0006723300000000, -0.0001676100000000 ] - [ 0.0000120800000000, -0.0004378800000000, 0.0006523600000000 ] - [ 0.0006046900000000, -0.0001185800000000, -0.0010096000000000 ] - [ 0.0004622100000000, 0.0005856700000000, -0.0006617500000000 ] - [ 0.0002519900000000, -0.0027055700000000, -0.0009035000000000 ] - [ -0.0002619500000000, 0.0003882300000000, 0.0006693500000000 ] - [ -0.0000498000000000, 0.0001040000000000, 0.0008965300000000 ] - [ -0.0004908000000000, -0.0000322900000000, 0.0007093700000000 ] - [ -0.0000237700000000, 0.0005628500000000, 0.0000727300000000 ] - [ 0.0000386700000000, 0.0002013700000000, 0.0008980400000000 ] - [ 0.0003289800000000, 0.0009975300000000, -0.0002536100000000 ] - [ -0.0004115100000000, 0.0020584200000000, -0.0002505900000000 ] - [ -0.0002973900000000, -0.0001132000000000, -0.0007458200000000 ] - [ 0.0004650300000000, -0.0002874000000000, -0.0009577400000000 ] - [ 0.0002962400000000, 0.0005289200000000, 0.0001866700000000 ] - [ 0.0000295200000000, 0.0005489800000000, 0.0000128100000000 ] - [ -0.0001087300000000, 0.0003765900000000, -0.0006102400000000 ] - [ -0.0001146600000000, 0.0002047700000000, -0.0001350400000000 ] - [ -0.0002952100000000, 0.0001281700000000, -0.0001472100000000 ] - [ 0.0000169100000000, 0.0003601900000000, 0.0009652900000000 ] - [ 0.0000220700000000, 0.0003629500000000, 0.0000513900000000 ] - [ -0.0002751200000000, 0.0004707300000000, 0.0002769200000000 ] - [ 0.0006223300000000, 0.0006232700000000, -0.0001850300000000 ] - [ 0.0005821200000000, 0.0009859200000000, 0.0003443800000000 ] - [ 0.0004223000000000, 0.0016742400000000, 0.0002188900000000 ] - [ 0.0003728100000000, 0.0006521600000000, -0.0002078100000000 ] - [ 0.0003345800000000, 0.0010513300000000, 0.0011091300000000 ] - [ 0.0000187800000000, 0.0003167800000000, -0.0002071000000000 ] - [ -0.0001284400000000, 0.0005722500000000, -0.0000235600000000 ] - [ -0.0000292400000000, 0.0003526400000000, 0.0000430800000000 ] - [ -0.0005364700000000, -0.0002027100000000, 0.0001327500000000 ] - [ -0.0000134400000000, 0.0006684200000000, 0.0007715400000000 ] - [ 0.0005202200000000, 0.0002400700000000, 0.0002842300000000 ] - [ 0.0010431200000000, -0.0004596600000000, -0.0001785900000000 ] - [ -0.0009439400000000, -0.0003390200000000, -0.0003561000000000 ] - [ -0.0002808500000000, 0.0002918700000000, 0.0004032700000000 ] - [ 0.0000228000000000, -0.0004192700000000, -0.0004353200000000 ] - [ 0.0001232400000000, 0.0007885100000000, 0.0008369900000000 ] - [ -0.0001213800000000, 0.0009340900000000, 0.0002539100000000 ] - [ -0.0002816400000000, -0.0009641600000000, 0.0007656000000000 ] - [ -0.0000099000000000, 0.0004190300000000, 0.0009899600000000 ] - [ 0.0004524700000000, 0.0000738000000000, 0.0010005100000000 ] - [ 0.0001672100000000, 0.0010316600000000, -0.0002562200000000 ] - [ -0.0008407800000000, 0.0008967700000000, -0.0003754300000000 ] - [ -0.0006594700000000, 0.0014829400000000, 0.0003462400000000 ] - [ 0.0002979200000000, -0.0000800900000000, 0.0010345900000000 ] - [ 0.0001155900000000, 0.0001876500000000, -0.0002262900000000 ] - [ 0.0002743000000000, 0.0003063700000000, -0.0000662000000000 ] - [ -0.0003383800000000, 0.0010991700000000, -0.0002701400000000 ] - [ 0.0001350700000000, -0.0000902900000000, 0.0002688900000000 ] - [ 0.0002833000000000, 0.0003110400000000, -0.0009320200000000 ] - [ -0.0003777300000000, 0.0005537900000000, -0.0006302600000000 ] - [ -0.0002884700000000, 0.0006185800000000, 0.0000615100000000 ] - [ 0.0002721300000000, -0.0000927000000000, -0.0008362300000000 ] - [ -0.0003429300000000, 0.0000924100000000, -0.0000068800000000 ] - [ -0.0001658800000000, 0.0011119500000000, -0.0003702700000000 ] - [ -0.0000009700000000, 0.0003688100000000, -0.0001771400000000 ] - [ -0.0001465200000000, 0.0008923900000000, 0.0008794000000000 ] - [ 0.0001357800000000, 0.0006671200000000, -0.0001993600000000 ] - [ 0.0002924100000000, 0.0015251100000000, -0.0001734000000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003404200000000, 0.0009283000000000, -0.0007847000000000 ] - [ 0.0038111600000000, 0.0024072900000000, 0.0014487200000000 ] - [ -0.0028618300000000, 0.0005782900000000, 0.0007764000000000 ] - [ -0.0000076600000000, 0.0011762800000000, -0.0001453600000000 ] - [ 0.0000303300000000, -0.0008429500000000, -0.0003465700000000 ] - [ 0.0001802100000000, -0.0013745000000000, -0.0002473600000000 ] - [ -0.0001605700000000, -0.0013333500000000, -0.0004330200000000 ] - [ 0.0002727600000000, -0.0036677700000000, 0.0021181600000000 ] - [ -0.0006468100000000, 0.0005515100000000, 0.0000600400000000 ] - [ 0.0004965600000000, 0.0013672100000000, 0.0000068100000000 ] - [ -0.0007052300000000, 0.0001956300000000, 0.0000405400000000 ] - [ 0.0001187000000000, -0.0004373800000000, -0.0002123400000000 ] - [ -0.0028626700000000, 0.0022919600000000, 0.0006411700000000 ] - [ 0.0106888400000000, -0.0077213400000000, -0.0094334200000000 ] - [ -0.0025920200000000, -0.0112097700000000, -0.0066614600000000 ] - [ 0.0003939600000000, 0.0009981100000000, -0.0006974600000000 ] - [ 0.0004973800000000, 0.0003712900000000, -0.0008167500000000 ] - [ 0.0007183900000000, -0.0001880200000000, -0.0000000900000000 ] - [ -0.0005595800000000, 0.0011626100000000, -0.0000172800000000 ] - [ -0.0003414200000000, 0.0004702800000000, -0.0003926900000000 ] - [ 0.0001412100000000, 0.0007936500000000, 0.0000311200000000 ] - [ -0.0000455700000000, 0.0006953500000000, 0.0003023500000000 ] - [ 0.0000943200000000, 0.0007041600000000, 0.0005493000000000 ] - [ -0.0000833600000000, 0.0006443400000000, 0.0005553800000000 ] - [ -0.0003648400000000, 0.0003289400000000, -0.0003919900000000 ] - [ 0.0008306500000000, 0.0000694400000000, -0.0003477800000000 ] - [ -0.0006044600000000, -0.0009512500000000, -0.0001411400000000 ] - [ 0.0000270800000000, 0.0009272600000000, 0.0000478600000000 ] - [ 0.0000132500000000, 0.0005342000000000, -0.0000715900000000 ] - [ 0.0000410000000000, 0.0006211700000000, 0.0003096500000000 ] - [ -0.0000782900000000, 0.0005815700000000, 0.0000048800000000 ] - [ 0.0002470000000000, 0.0004481600000000, -0.0008375000000000 ] - [ -0.0004218900000000, 0.0020059000000000, 0.0005811400000000 ] - [ 0.0010018600000000, -0.0038594900000000, -0.0014451800000000 ] - [ -0.0000977700000000, 0.0017971500000000, -0.0009775800000000 ] - [ -0.0084221900000000, -0.0508195500000000, 0.0425672300000000 ] - [ 0.0001661800000000, 0.0003979900000000, -0.0008221800000000 ] - [ 0.0021000500000000, 0.0049826000000000, -0.0023543400000000 ] - [ -0.0004164500000000, 0.0002820400000000, -0.0033697900000000 ] - [ -0.0002490900000000, 0.0018483700000000, -0.0007463300000000 ] - [ 0.0009846500000000, -0.0004386700000000, 0.0021862300000000 ] - [ 0.0030568000000000, -0.0010719800000000, -0.0021188500000000 ] - [ -0.0002265100000000, -0.0001170100000000, -0.0022083000000000 ] - [ 0.0004930500000000, -0.0027711700000000, -0.0000930800000000 ] - [ -0.0003000000000000, 0.0025286000000000, 0.0016908500000000 ] - [ -0.0014464400000000, -0.0089746800000000, -0.0007231200000000 ] - [ -0.0007164900000000, -0.0021149200000000, 0.0005241000000000 ] - [ -0.0002346100000000, 0.0019378400000000, 0.0002910100000000 ] - [ -0.0004183300000000, 0.0005882800000000, 0.0003641600000000 ] - [ 0.0007744100000000, 0.0006707800000000, 0.0001310300000000 ] - [ 0.0001504300000000, 0.0010272500000000, -0.0010947100000000 ] - [ 0.0007345600000000, 0.0023432000000000, -0.0001027700000000 ] - [ 0.0000337000000000, -0.0010994700000000, 0.0006336900000000 ] - [ 0.0004671200000000, 0.0008094600000000, -0.0006614000000000 ] - [ -0.0005458700000000, 0.0014499800000000, -0.0010274000000000 ] - [ -0.0006041100000000, -0.0003060900000000, -0.0038869900000000 ] - [ 0.0004948300000000, 0.0011953600000000, -0.0006067400000000 ] - [ -0.0004402600000000, 0.0012797800000000, -0.0003925100000000 ] - [ -0.0000862200000000, 0.0007598100000000, -0.0014043400000000 ] - [ 0.0004152800000000, 0.0013160600000000, -0.0002115800000000 ] - [ 0.0002983300000000, 0.0019170200000000, -0.0004130000000000 ] - [ -0.0007732700000000, 0.0004776000000000, 0.0001040200000000 ] - [ -0.0006983800000000, 0.0025832700000000, 0.0000468400000000 ] - [ -0.0003928400000000, 0.0000412600000000, -0.0004788100000000 ] - [ 0.0002888400000000, -0.0015991100000000, -0.0001466600000000 ] - [ 0.0037577800000000, 0.0006459000000000, -0.0127090300000000 ] - [ 0.0141864000000000, 0.0821597100000000, -0.0418278000000000 ] - [ -0.0004517400000000, -0.0011824600000000, 0.0008728700000000 ] - [ 0.0000487400000000, 0.0013530900000000, -0.0001115900000000 ] - [ 0.0000650600000000, 0.0005000600000000, 0.0012566400000000 ] - [ -0.0043395800000000, 0.0055560000000000, -0.0024731200000000 ] - [ -0.0004598500000000, 0.0003265000000000, 0.0009735000000000 ] - [ -0.0005649800000000, -0.0014421200000000, -0.0011618700000000 ] - [ 0.0004437800000000, -0.0007821000000000, 0.0000194000000000 ] - [ 0.0005234300000000, 0.0004654500000000, 0.0008343000000000 ] - [ -0.0002670000000000, 0.0018226000000000, 0.0001405800000000 ] - [ -0.0002618800000000, -0.0003584700000000, 0.0007120400000000 ] - [ 0.0002126200000000, 0.0007132500000000, -0.0004127700000000 ] - [ -0.0039470800000000, -0.0140555900000000, 0.0083991700000000 ] - [ -0.0084073000000000, 0.0034774600000000, 0.0052530300000000 ] - [ 0.0004210600000000, 0.0022687500000000, 0.0004360900000000 ] - [ -0.0005535700000000, -0.0003147900000000, -0.0016313500000000 ] - [ 0.0007808000000000, 0.0000415700000000, -0.0003960200000000 ] - [ 0.0006210900000000, -0.0000322000000000, -0.0000400800000000 ] - [ 0.0005589100000000, 0.0001654000000000, -0.0003185200000000 ] - [ 0.0008479100000000, -0.0003174300000000, 0.0010424600000000 ] - [ 0.0003340200000000, -0.0010075900000000, -0.0002853200000000 ] - [ 0.0028228900000000, 0.0024257300000000, 0.0035975900000000 ] - [ -0.0005307100000000, -0.0019161400000000, -0.0024379800000000 ] - [ -0.0011043800000000, 0.0017242500000000, 0.0021190800000000 ] - [ 0.0016425800000000, -0.0070902000000000, 0.0019436400000000 ] - [ -0.0000458300000000, -0.0000550400000000, 0.0000376000000000 ] - [ 0.0004953300000000, -0.0005034000000000, -0.0000297400000000 ] - [ 0.0010162200000000, -0.0012320000000000, -0.0004863900000000 ] - [ -0.0000161300000000, -0.0017859600000000, -0.0000198100000000 ] - [ -0.0002177600000000, -0.0001854500000000, -0.0002877300000000 ] - [ -0.0001963400000000, -0.0011237100000000, 0.0004824500000000 ] - [ 0.0026587800000000, 0.0013557300000000, 0.0016004200000000 ] - [ -0.0006384900000000, -0.0000065800000000, 0.0012941500000000 ] - [ -0.0002710400000000, -0.0004201700000000, 0.0006004900000000 ] - [ 0.0001695300000000, 0.0006860800000000, 0.0011336500000000 ] - [ 0.0003646200000000, -0.0002144500000000, 0.0007747900000000 ] - [ 0.0000745600000000, 0.0023105200000000, -0.0014273200000000 ] - [ -0.0013925800000000, -0.0000267600000000, -0.0000759500000000 ] - [ -0.0005602600000000, 0.0005792300000000, 0.0004544000000000 ] - [ 0.0002776500000000, -0.0004326300000000, 0.0003958700000000 ] - [ -0.0074402200000000, -0.0018451200000000, 0.0087328400000000 ] - [ 0.0002698500000000, 0.0003728700000000, -0.0002625400000000 ] - [ -0.0003129100000000, 0.0014053800000000, 0.0001512700000000 ] - [ 0.0005995000000000, -0.0005019500000000, -0.0003630900000000 ] - [ 0.0002568200000000, -0.0003026400000000, -0.0006649000000000 ] - [ -0.0003615700000000, -0.0002982800000000, -0.0008652200000000 ] - [ -0.0003620300000000, -0.0010915100000000, 0.0014429600000000 ] - [ 0.0005997200000000, -0.0016713900000000, -0.0009653900000000 ] - [ -0.0012343800000000, -0.0019124100000000, -0.0014622300000000 ] - [ -0.0010868500000000, 0.0010139600000000, 0.0038729300000000 ] - [ -0.0004827800000000, 0.0006740400000000, -0.0002111500000000 ] - [ -0.0001846300000000, 0.0011372000000000, 0.0011041000000000 ] - [ -0.0003427600000000, 0.0005321600000000, 0.0007248300000000 ] - [ 0.0000946500000000, 0.0005303800000000, 0.0012004400000000 ] - [ 0.0003008000000000, 0.0015773100000000, 0.0014344000000000 ] - [ -0.0002916500000000, -0.0015270700000000, -0.0001437800000000 ] - [ -0.0001233200000000, -0.0008039800000000, 0.0008599700000000 ] - [ -0.0004252600000000, -0.0017763300000000, 0.0001547300000000 ] - [ -0.0002720400000000, -0.0005084900000000, 0.0001993000000000 ] - [ 0.0001341600000000, -0.0009018200000000, 0.0008587600000000 ] - [ 0.0002946700000000, -0.0001470400000000, -0.0001216900000000 ] - [ -0.0005062300000000, -0.0002514700000000, 0.0011152800000000 ] - [ -0.0003460000000000, -0.0004486000000000, -0.0005501000000000 ] - [ 0.0002596200000000, -0.0002819600000000, 0.0008202300000000 ] - [ -0.0000004900000000, -0.0005849200000000, 0.0000852400000000 ] - [ 0.0002664200000000, -0.0004943000000000, 0.0002590400000000 ] - [ -0.0004918600000000, 0.0000245500000000, 0.0019040200000000 ] - [ -0.0001429800000000, -0.0006195300000000, -0.0001453500000000 ] - [ -0.0003283800000000, -0.0009801900000000, -0.0002276000000000 ] - [ -0.0000169400000000, -0.0003605200000000, 0.0009735500000000 ] - [ 0.0001682100000000, -0.0010661100000000, -0.0003095600000000 ] - [ -0.0000206700000000, -0.0005261900000000, -0.0000051800000000 ] - [ 0.0011202700000000, 0.0005270500000000, -0.0003231200000000 ] - [ 0.0005502300000000, 0.0003374100000000, 0.0001728200000000 ] - [ 0.0004932400000000, 0.0001345400000000, 0.0006467800000000 ] - [ 0.0003517500000000, -0.0000841200000000, 0.0000653100000000 ] - [ 0.0002623600000000, -0.0006499800000000, 0.0001734700000000 ] - [ -0.0000188000000000, -0.0003171000000000, -0.0001695200000000 ] - [ -0.0001290300000000, -0.0001581300000000, -0.0002573200000000 ] - [ -0.0001609200000000, -0.0010557200000000, -0.0003014000000000 ] - [ -0.0005956400000000, -0.0011212100000000, 0.0003837300000000 ] - [ 0.0002646000000000, 0.0003653600000000, -0.0001842000000000 ] - [ 0.0006118100000000, -0.0015626400000000, 0.0002329400000000 ] - [ 0.0006998600000000, -0.0006896800000000, -0.0003294200000000 ] - [ -0.0007983700000000, -0.0008109500000000, -0.0001532500000000 ] - [ -0.0004442200000000, 0.0002754300000000, -0.0005472000000000 ] - [ -0.0002761500000000, -0.0006171100000000, 0.0010280900000000 ] - [ 0.0000497700000000, -0.0000895800000000, 0.0009195100000000 ] - [ -0.0001288300000000, 0.0001004100000000, 0.0003348700000000 ] - [ -0.0002711900000000, 0.0021028400000000, -0.0002408500000000 ] - [ 0.0000097600000000, -0.0004196500000000, 0.0009489100000000 ] - [ 0.0004633900000000, -0.0018825700000000, -0.0001359700000000 ] - [ 0.0000229300000000, -0.0003298200000000, -0.0000022400000000 ] - [ -0.0009025200000000, 0.0002530300000000, -0.0001338300000000 ] - [ -0.0004709700000000, -0.0001605400000000, 0.0001695700000000 ] - [ 0.0002989900000000, -0.0003242800000000, 0.0002492500000000 ] - [ 0.0001418800000000, -0.0006022800000000, -0.0000542100000000 ] - [ 0.0003496400000000, -0.0011590600000000, -0.0003089900000000 ] - [ -0.0002853300000000, -0.0002485900000000, -0.0001054300000000 ] - [ 0.0001153900000000, -0.0009457400000000, 0.0003200000000000 ] - [ 0.0003604400000000, 0.0002499200000000, -0.0003595900000000 ] - [ -0.0002655800000000, 0.0000062400000000, -0.0006644100000000 ] - [ -0.0003074500000000, -0.0010227600000000, 0.0012220200000000 ] - [ 0.0003712800000000, -0.0004677700000000, -0.0004560800000000 ] - [ -0.0003815900000000, -0.0006619500000000, -0.0001366100000000 ] - [ -0.0000241900000000, -0.0004107300000000, 0.0001128300000000 ] - [ 0.0000009400000000, -0.0003694300000000, -0.0001994500000000 ] - [ -0.0000263800000000, -0.0001936600000000, 0.0008767900000000 ] - [ 0.0001214700000000, -0.0002539800000000, -0.0000805400000000 ] - [ 0.0002611900000000, -0.0003893600000000, 0.0007002300000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004545300000000, 0.0004154800000000, -0.0002997000000000 ] - [ 0.0016982000000000, 0.0008420500000000, 0.0024383300000000 ] - [ -0.0003283100000000, -0.0000632500000000, 0.0040631900000000 ] - [ -0.0009221700000000, -0.0008933500000000, 0.0002880400000000 ] - [ 0.0001383600000000, 0.0002281700000000, -0.0019125800000000 ] - [ 0.0001566900000000, 0.0004687900000000, -0.0018942000000000 ] - [ 0.0000302400000000, 0.0003758200000000, -0.0023693100000000 ] - [ -0.0038660000000000, -0.0017676300000000, -0.0000688300000000 ] - [ -0.0001438500000000, -0.0011944700000000, 0.0004649500000000 ] - [ 0.0006234600000000, 0.0006335400000000, 0.0001526200000000 ] - [ -0.0006375700000000, -0.0006356700000000, 0.0003137100000000 ] - [ -0.0001212700000000, -0.0001884400000000, -0.0011856500000000 ] - [ -0.0007506300000000, 0.0002650900000000, 0.0027921000000000 ] - [ -0.0093922000000000, 0.0040323900000000, 0.0150968700000000 ] - [ 0.0033869500000000, 0.0070882900000000, 0.0073132300000000 ] - [ 0.0003843400000000, 0.0005288800000000, -0.0002675800000000 ] - [ 0.0003770100000000, 0.0007642000000000, -0.0010893100000000 ] - [ 0.0006826500000000, -0.0006987700000000, -0.0003226400000000 ] - [ -0.0006543100000000, 0.0006010700000000, -0.0001294600000000 ] - [ -0.0003908500000000, -0.0004687700000000, -0.0007630300000000 ] - [ 0.0000562700000000, -0.0000506800000000, 0.0001390500000000 ] - [ -0.0000058800000000, 0.0000146500000000, 0.0003852700000000 ] - [ 0.0000031000000000, 0.0000186300000000, 0.0006125300000000 ] - [ 0.0000145000000000, -0.0000888200000000, 0.0004891200000000 ] - [ -0.0002615900000000, -0.0005136200000000, -0.0007306200000000 ] - [ 0.0004440900000000, 0.0009761300000000, -0.0017682500000000 ] - [ -0.0004966000000000, -0.0010214300000000, -0.0011930800000000 ] - [ -0.0000319300000000, 0.0000920000000000, 0.0003156700000000 ] - [ 0.0000357800000000, -0.0000715200000000, -0.0003023200000000 ] - [ -0.0000152800000000, -0.0000725800000000, 0.0002226100000000 ] - [ -0.0000331600000000, -0.0000376700000000, -0.0001535400000000 ] - [ 0.0002099500000000, 0.0007662700000000, -0.0010401700000000 ] - [ -0.0001255900000000, -0.0009241500000000, 0.0009411300000000 ] - [ 0.0009083200000000, -0.0014177800000000, -0.0034252700000000 ] - [ -0.0001902700000000, 0.0019941800000000, 0.0017387700000000 ] - [ -0.0227979300000000, -0.0439986800000000, 0.1254395300000000 ] - [ 0.0001787700000000, -0.0011869300000000, -0.0007483000000000 ] - [ 0.0007680700000000, 0.0012661900000000, 0.0010589800000000 ] - [ -0.0002682200000000, 0.0027230000000000, -0.0026988300000000 ] - [ -0.0001810600000000, 0.0007805700000000, -0.0008632000000000 ] - [ -0.0006704200000000, -0.0041182800000000, -0.0008297700000000 ] - [ 0.0033688700000000, 0.0016456100000000, -0.0035920500000000 ] - [ -0.0001698200000000, 0.0009718000000000, -0.0021432700000000 ] - [ 0.0008348500000000, -0.0022622400000000, -0.0017677900000000 ] - [ -0.0024350100000000, -0.0121171700000000, -0.0060075300000000 ] - [ -0.0049963400000000, 0.0002256600000000, 0.0076690200000000 ] - [ -0.0014594600000000, 0.0027530500000000, -0.0057224300000000 ] - [ -0.0003603800000000, -0.0002677100000000, 0.0005133800000000 ] - [ 0.0000110700000000, -0.0010672700000000, -0.0037589500000000 ] - [ 0.0007176000000000, -0.0011086900000000, 0.0002295500000000 ] - [ 0.0002406600000000, 0.0001809600000000, -0.0013776100000000 ] - [ 0.0007808500000000, 0.0008242800000000, -0.0001395300000000 ] - [ 0.0007558800000000, -0.0024379400000000, -0.0013429900000000 ] - [ 0.0005041300000000, 0.0004074900000000, -0.0012890000000000 ] - [ -0.0005014500000000, 0.0003136500000000, -0.0006786100000000 ] - [ -0.0013258600000000, 0.0035774600000000, -0.0033493300000000 ] - [ 0.0003887700000000, -0.0006023700000000, -0.0003412900000000 ] - [ -0.0004640700000000, 0.0000340700000000, -0.0005629800000000 ] - [ -0.0001286800000000, 0.0000161200000000, -0.0010619400000000 ] - [ 0.0004958000000000, -0.0001684600000000, -0.0005810600000000 ] - [ 0.0001489500000000, 0.0002682200000000, -0.0009096200000000 ] - [ -0.0007801400000000, -0.0008708500000000, -0.0001421900000000 ] - [ -0.0007196300000000, 0.0008954700000000, 0.0002482000000000 ] - [ -0.0004682200000000, -0.0004195300000000, -0.0018420400000000 ] - [ 0.0002812600000000, -0.0006085500000000, 0.0001817800000000 ] - [ -0.0042370500000000, 0.0120226500000000, 0.0215974300000000 ] - [ 0.0527894000000000, 0.0410928200000000, -0.1816790200000000 ] - [ -0.0011982600000000, -0.0040568900000000, -0.0017002000000000 ] - [ 0.0002806300000000, 0.0003435100000000, 0.0010583000000000 ] - [ 0.0002868300000000, -0.0007236000000000, 0.0026168400000000 ] - [ 0.0002968200000000, 0.0020069700000000, -0.0020697400000000 ] - [ -0.0003993100000000, -0.0001592000000000, 0.0015465800000000 ] - [ -0.0003390700000000, -0.0004337100000000, -0.0017992800000000 ] - [ 0.0003331300000000, -0.0003259300000000, -0.0001442900000000 ] - [ 0.0001439300000000, -0.0008071300000000, 0.0009779600000000 ] - [ 0.0019515900000000, -0.0022122000000000, 0.0006582400000000 ] - [ -0.0002821500000000, -0.0000163500000000, 0.0007101600000000 ] - [ -0.0001915300000000, -0.0001265100000000, 0.0011803400000000 ] - [ -0.0015495800000000, -0.0047334700000000, -0.0013632800000000 ] - [ -0.0108669700000000, -0.0020415900000000, 0.0026260100000000 ] - [ 0.0011056400000000, 0.0010397700000000, 0.0006603100000000 ] - [ -0.0000274800000000, 0.0033806900000000, 0.0001218200000000 ] - [ 0.0009351500000000, 0.0007951700000000, -0.0005241900000000 ] - [ 0.0005636100000000, 0.0007996600000000, -0.0001211400000000 ] - [ 0.0008349100000000, 0.0026634000000000, -0.0014798000000000 ] - [ 0.0004093200000000, -0.0004519200000000, 0.0002167800000000 ] - [ 0.0006830000000000, 0.0042403200000000, 0.0024144900000000 ] - [ 0.0092442000000000, -0.0044899100000000, 0.0069567600000000 ] - [ -0.0009105200000000, 0.0059178300000000, 0.0004661500000000 ] - [ 0.0011423100000000, 0.0014812400000000, 0.0000189700000000 ] - [ 0.0001875100000000, -0.0019484400000000, -0.0004740000000000 ] - [ 0.0001873100000000, 0.0007484600000000, 0.0001773900000000 ] - [ 0.0007012800000000, -0.0008277400000000, 0.0014887800000000 ] - [ 0.0007703900000000, -0.0003079200000000, -0.0006038000000000 ] - [ -0.0008666700000000, -0.0011795600000000, -0.0006847100000000 ] - [ -0.0003242400000000, 0.0003961700000000, -0.0002976800000000 ] - [ -0.0001263000000000, -0.0005716000000000, 0.0002582600000000 ] - [ -0.0051044900000000, 0.0010513400000000, -0.0086477700000000 ] - [ -0.0003134900000000, -0.0001756700000000, 0.0005781000000000 ] - [ -0.0002925000000000, 0.0008528200000000, 0.0000378000000000 ] - [ -0.0001987000000000, -0.0000352300000000, 0.0024181200000000 ] - [ 0.0004758200000000, 0.0000443700000000, 0.0014929200000000 ] - [ 0.0021728700000000, 0.0022059900000000, 0.0057521100000000 ] - [ -0.0007746700000000, 0.0001083400000000, -0.0009149800000000 ] - [ -0.0005828500000000, 0.0007844700000000, 0.0006607600000000 ] - [ 0.0001759300000000, 0.0002685400000000, 0.0008455600000000 ] - [ -0.0080281600000000, -0.0110732400000000, 0.0058958200000000 ] - [ 0.0005351700000000, 0.0007494700000000, 0.0015790600000000 ] - [ -0.0003265500000000, -0.0001461900000000, 0.0010515800000000 ] - [ -0.0016085400000000, 0.0022251500000000, -0.0005428300000000 ] - [ 0.0003155800000000, 0.0002787400000000, -0.0010482500000000 ] - [ -0.0002982800000000, 0.0004134300000000, -0.0023278400000000 ] - [ -0.0003364300000000, -0.0007725100000000, 0.0012397100000000 ] - [ 0.0004375200000000, -0.0007958200000000, -0.0016168700000000 ] - [ 0.0005946000000000, 0.0013116300000000, -0.0001793200000000 ] - [ -0.0015163700000000, -0.0038284200000000, 0.0065425800000000 ] - [ 0.0003803600000000, -0.0000480700000000, 0.0010502000000000 ] - [ -0.0002327200000000, 0.0005712800000000, 0.0023663900000000 ] - [ -0.0005199000000000, -0.0000988400000000, 0.0010769600000000 ] - [ 0.0005871600000000, -0.0009083400000000, -0.0003430400000000 ] - [ 0.0004147700000000, -0.0008017300000000, 0.0013916900000000 ] - [ -0.0002708200000000, -0.0004397400000000, 0.0003829200000000 ] - [ -0.0001026300000000, -0.0003272000000000, 0.0009800200000000 ] - [ -0.0004319200000000, -0.0009886300000000, 0.0005795100000000 ] - [ -0.0001383400000000, 0.0000855400000000, 0.0000943100000000 ] - [ 0.0000702300000000, -0.0003259400000000, 0.0007751000000000 ] - [ 0.0003110300000000, 0.0004563400000000, -0.0001508100000000 ] - [ -0.0005026500000000, 0.0005334500000000, 0.0002477800000000 ] - [ -0.0003249400000000, -0.0001350800000000, 0.0000364700000000 ] - [ 0.0005500200000000, -0.0012820500000000, 0.0012999700000000 ] - [ 0.0001313500000000, -0.0001293300000000, 0.0000926100000000 ] - [ 0.0001484500000000, 0.0000303700000000, 0.0001692000000000 ] - [ -0.0002742500000000, -0.0009481800000000, 0.0001106300000000 ] - [ -0.0001416100000000, -0.0001429400000000, -0.0001892900000000 ] - [ -0.0002946500000000, -0.0003803300000000, -0.0001055400000000 ] - [ -0.0000135800000000, 0.0000085900000000, 0.0010488100000000 ] - [ 0.0000956500000000, -0.0003411100000000, -0.0001158100000000 ] - [ -0.0002116100000000, 0.0001581100000000, 0.0001986800000000 ] - [ 0.0005577300000000, 0.0007346100000000, 0.0002609100000000 ] - [ 0.0005889100000000, 0.0007918300000000, 0.0005223500000000 ] - [ 0.0003173800000000, 0.0016657100000000, 0.0007652700000000 ] - [ 0.0004285000000000, 0.0001708700000000, 0.0001443200000000 ] - [ 0.0003182000000000, 0.0005922700000000, 0.0006824300000000 ] - [ 0.0000157600000000, 0.0000074000000000, -0.0001431300000000 ] - [ -0.0000741500000000, 0.0003484700000000, -0.0000722800000000 ] - [ -0.0000899800000000, -0.0002936300000000, -0.0001318900000000 ] - [ -0.0005780400000000, -0.0006629700000000, 0.0003802000000000 ] - [ 0.0000243200000000, 0.0012969500000000, 0.0009898700000000 ] - [ 0.0005720300000000, -0.0006739100000000, 0.0000791600000000 ] - [ 0.0011314200000000, -0.0003482700000000, 0.0002335900000000 ] - [ -0.0009094900000000, -0.0006466200000000, -0.0000173700000000 ] - [ -0.0004007300000000, 0.0009212200000000, 0.0004612600000000 ] - [ -0.0000929700000000, -0.0017913800000000, 0.0017754300000000 ] - [ 0.0001201600000000, 0.0003872400000000, 0.0010227900000000 ] - [ -0.0001538600000000, 0.0003748000000000, 0.0004255200000000 ] - [ -0.0004322300000000, 0.0012989400000000, 0.0008792600000000 ] - [ -0.0000086800000000, 0.0000237900000000, 0.0009041400000000 ] - [ 0.0004832300000000, -0.0007026000000000, 0.0003315100000000 ] - [ 0.0001060900000000, 0.0004827200000000, -0.0002144400000000 ] - [ -0.0008156500000000, 0.0004716900000000, -0.0000422900000000 ] - [ -0.0005242800000000, 0.0004755000000000, -0.0000172900000000 ] - [ 0.0002727400000000, 0.0004111200000000, 0.0001372900000000 ] - [ 0.0001116300000000, -0.0002283100000000, -0.0000905700000000 ] - [ 0.0003151200000000, -0.0004088900000000, -0.0002587600000000 ] - [ -0.0003126400000000, 0.0004540500000000, -0.0002296800000000 ] - [ 0.0001239500000000, -0.0004257100000000, 0.0003340900000000 ] - [ 0.0003036200000000, 0.0000777900000000, 0.0004569300000000 ] - [ -0.0003444000000000, 0.0003359300000000, -0.0002778700000000 ] - [ -0.0003182300000000, -0.0009800300000000, 0.0008039700000000 ] - [ 0.0003345600000000, -0.0002674900000000, 0.0001190700000000 ] - [ -0.0003812600000000, -0.0002057600000000, 0.0000131200000000 ] - [ -0.0000990200000000, 0.0003082800000000, -0.0000711900000000 ] - [ 0.0000079700000000, 0.0000239800000000, -0.0002459000000000 ] - [ -0.0000625000000000, 0.0003450300000000, 0.0007310000000000 ] - [ 0.0001326600000000, 0.0001000000000000, -0.0001761200000000 ] - [ 0.0002626400000000, 0.0003610800000000, 0.0004700500000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002841500000000, -0.0005159700000000, -0.0006859000000000 ] - [ -0.0004174400000000, -0.0021278400000000, -0.0024170500000000 ] - [ -0.0009496400000000, 0.0013384800000000, -0.0040523100000000 ] - [ 0.0001833300000000, 0.0009869400000000, -0.0012770300000000 ] - [ -0.0000605700000000, -0.0002534200000000, 0.0019017200000000 ] - [ -0.0001578300000000, -0.0004709100000000, 0.0025107300000000 ] - [ -0.0000304700000000, -0.0003744000000000, 0.0034935500000000 ] - [ 0.0038589600000000, 0.0017742900000000, 0.0012036500000000 ] - [ -0.0005921000000000, 0.0011013900000000, -0.0014602300000000 ] - [ 0.0006678800000000, 0.0006584300000000, -0.0001283600000000 ] - [ -0.0006537600000000, -0.0006589500000000, -0.0002894500000000 ] - [ 0.0000400200000000, 0.0002140700000000, 0.0011736500000000 ] - [ 0.0008380000000000, -0.0002221600000000, -0.0028135000000000 ] - [ 0.0087144800000000, -0.0037202400000000, -0.0138647200000000 ] - [ -0.0035525700000000, -0.0072238500000000, -0.0072294700000000 ] - [ 0.0003533000000000, -0.0004308100000000, -0.0007179300000000 ] - [ 0.0003601500000000, -0.0008627500000000, 0.0001079300000000 ] - [ 0.0006082800000000, -0.0005931700000000, 0.0003482500000000 ] - [ -0.0006368600000000, 0.0006903000000000, 0.0001543400000000 ] - [ -0.0003472700000000, 0.0005672200000000, -0.0002203000000000 ] - [ 0.0000227200000000, 0.0000238600000000, -0.0001541000000000 ] - [ 0.0000061300000000, -0.0000157600000000, 0.0002253100000000 ] - [ -0.0000035500000000, -0.0000198100000000, 0.0004940300000000 ] - [ -0.0000145700000000, 0.0000883500000000, 0.0006176900000000 ] - [ -0.0004765400000000, 0.0004135000000000, -0.0002527800000000 ] - [ 0.0008486800000000, 0.0003171700000000, 0.0017962600000000 ] - [ -0.0007925000000000, -0.0002724100000000, 0.0012201300000000 ] - [ -0.0000471300000000, -0.0000684300000000, -0.0003317600000000 ] - [ 0.0000432300000000, 0.0000980600000000, 0.0002883300000000 ] - [ 0.0000155300000000, 0.0000720200000000, 0.0003880200000000 ] - [ -0.0000458700000000, 0.0000104600000000, 0.0001391600000000 ] - [ 0.0005290200000000, -0.0006665100000000, 0.0000591200000000 ] - [ -0.0004973100000000, 0.0007981700000000, -0.0018009300000000 ] - [ 0.0005826200000000, -0.0004369900000000, 0.0035270400000000 ] - [ 0.0008157500000000, -0.0018765300000000, -0.0025951400000000 ] - [ 0.0265172500000000, 0.0499691100000000, -0.1328549400000000 ] - [ 0.0001748600000000, -0.0000296700000000, -0.0009802000000000 ] - [ -0.0001620400000000, -0.0014324800000000, -0.0019019400000000 ] - [ -0.0006867300000000, -0.0027396400000000, 0.0015883000000000 ] - [ -0.0001732100000000, 0.0004346300000000, -0.0008641600000000 ] - [ 0.0016357400000000, 0.0041141600000000, -0.0002776900000000 ] - [ -0.0043564800000000, -0.0016630300000000, 0.0024920700000000 ] - [ -0.0001856100000000, -0.0021983400000000, 0.0004164700000000 ] - [ 0.0001144700000000, 0.0022759200000000, 0.0006481400000000 ] - [ 0.0028493300000000, 0.0134819200000000, 0.0043316000000000 ] - [ 0.0035572300000000, -0.0020491200000000, -0.0076868500000000 ] - [ -0.0000345900000000, -0.0008857300000000, 0.0058107800000000 ] - [ -0.0002601400000000, 0.0003956600000000, -0.0013729400000000 ] - [ -0.0006345800000000, 0.0009462300000000, 0.0029072300000000 ] - [ 0.0007774900000000, -0.0007526200000000, -0.0001424500000000 ] - [ 0.0003813800000000, -0.0000570400000000, 0.0005175200000000 ] - [ 0.0007136200000000, 0.0010333800000000, 0.0002288500000000 ] - [ -0.0004039600000000, 0.0012242300000000, -0.0003833300000000 ] - [ 0.0001169200000000, -0.0005387700000000, 0.0004297900000000 ] - [ -0.0004541000000000, -0.0003195900000000, -0.0004323100000000 ] - [ 0.0009731400000000, -0.0023380100000000, 0.0016238100000000 ] - [ 0.0005676200000000, 0.0006006600000000, -0.0007736300000000 ] - [ -0.0004919800000000, -0.0000331700000000, -0.0005508200000000 ] - [ -0.0002259200000000, -0.0012369500000000, -0.0006618100000000 ] - [ 0.0004597900000000, 0.0001697000000000, -0.0005318000000000 ] - [ 0.0002054500000000, 0.0009477000000000, -0.0008168400000000 ] - [ -0.0007144500000000, -0.0009901500000000, 0.0002307500000000 ] - [ -0.0007755300000000, 0.0009610600000000, -0.0001612400000000 ] - [ -0.0001531200000000, 0.0005496600000000, 0.0009831300000000 ] - [ 0.0002733700000000, -0.0005324400000000, 0.0003428800000000 ] - [ 0.0038185900000000, -0.0135853600000000, -0.0216037300000000 ] - [ -0.0545498800000000, -0.0459449600000000, 0.1907263700000000 ] - [ 0.0002790800000000, 0.0022514000000000, 0.0025579600000000 ] - [ -0.0005884800000000, -0.0002880100000000, -0.0007839800000000 ] - [ -0.0001101200000000, 0.0000279100000000, -0.0008684200000000 ] - [ 0.0003871900000000, -0.0011805600000000, 0.0017245900000000 ] - [ -0.0005161000000000, 0.0019666500000000, -0.0006849400000000 ] - [ -0.0003023900000000, -0.0001163400000000, 0.0005147600000000 ] - [ 0.0003863800000000, -0.0002446600000000, 0.0000014700000000 ] - [ 0.0001629600000000, 0.0007537800000000, -0.0007039800000000 ] - [ -0.0016242700000000, 0.0022387400000000, -0.0003788600000000 ] - [ -0.0003154000000000, 0.0004235300000000, 0.0005769500000000 ] - [ -0.0000595900000000, -0.0002898400000000, -0.0014633300000000 ] - [ 0.0009229200000000, 0.0039698700000000, 0.0010579200000000 ] - [ 0.0109957600000000, 0.0020499800000000, -0.0006238700000000 ] - [ -0.0009292200000000, -0.0017578200000000, -0.0009207800000000 ] - [ -0.0002798200000000, -0.0034165200000000, 0.0001571700000000 ] - [ 0.0008083200000000, 0.0003652000000000, 0.0000133700000000 ] - [ 0.0005693900000000, 0.0005190500000000, 0.0006335600000000 ] - [ 0.0000805900000000, -0.0008601000000000, 0.0023440500000000 ] - [ 0.0003101100000000, 0.0010246200000000, -0.0003584500000000 ] - [ -0.0000903600000000, -0.0038719400000000, -0.0011307500000000 ] - [ -0.0095205000000000, 0.0045693000000000, -0.0074889200000000 ] - [ 0.0006453400000000, -0.0054700700000000, -0.0007436500000000 ] - [ -0.0013218200000000, -0.0021617800000000, -0.0003122900000000 ] - [ -0.0013389300000000, 0.0006804200000000, 0.0009719300000000 ] - [ 0.0000610400000000, 0.0002884500000000, 0.0004133300000000 ] - [ 0.0004307700000000, -0.0004981600000000, -0.0009792100000000 ] - [ 0.0009713300000000, -0.0008515500000000, 0.0000929600000000 ] - [ -0.0008837000000000, 0.0000278100000000, 0.0001720000000000 ] - [ -0.0003956200000000, 0.0001756900000000, 0.0001562700000000 ] - [ -0.0001214200000000, -0.0004638600000000, 0.0003308800000000 ] - [ 0.0053083200000000, -0.0003648800000000, 0.0104171000000000 ] - [ 0.0000634300000000, 0.0012156900000000, 0.0000144500000000 ] - [ -0.0002626000000000, 0.0002903000000000, 0.0004863700000000 ] - [ 0.0001950300000000, 0.0000339800000000, -0.0004670000000000 ] - [ 0.0004394100000000, -0.0018502900000000, -0.0006291800000000 ] - [ -0.0019629100000000, -0.0014822600000000, -0.0059699900000000 ] - [ -0.0009641700000000, 0.0010527200000000, 0.0004029800000000 ] - [ -0.0005496500000000, 0.0005401300000000, -0.0001475000000000 ] - [ 0.0004230100000000, -0.0006761700000000, 0.0004419100000000 ] - [ 0.0082603500000000, 0.0105500700000000, -0.0062194400000000 ] - [ 0.0000886000000000, -0.0015954900000000, -0.0019473900000000 ] - [ -0.0002961700000000, 0.0009992100000000, -0.0014303500000000 ] - [ 0.0018770500000000, -0.0032995900000000, 0.0011443800000000 ] - [ 0.0003271900000000, 0.0002781100000000, -0.0002416500000000 ] - [ -0.0003439700000000, 0.0001488300000000, 0.0010425900000000 ] - [ -0.0002608600000000, 0.0003682800000000, 0.0000469600000000 ] - [ 0.0002056500000000, 0.0002393000000000, 0.0003248000000000 ] - [ -0.0013202900000000, -0.0018672200000000, 0.0000692700000000 ] - [ 0.0013184700000000, 0.0045292500000000, -0.0067967800000000 ] - [ -0.0003706800000000, 0.0000470000000000, -0.0014400200000000 ] - [ 0.0000558900000000, 0.0001237300000000, -0.0006160700000000 ] - [ 0.0007728600000000, 0.0005161900000000, -0.0013583300000000 ] - [ -0.0000462800000000, 0.0020624300000000, 0.0008736100000000 ] - [ 0.0001392300000000, -0.0003463900000000, -0.0008719500000000 ] - [ -0.0002838500000000, -0.0007012300000000, 0.0001414400000000 ] - [ -0.0000746100000000, -0.0003678900000000, 0.0007721900000000 ] - [ -0.0004834600000000, -0.0008123900000000, 0.0002857900000000 ] - [ -0.0001660700000000, -0.0000249300000000, 0.0001807000000000 ] - [ 0.0001066900000000, -0.0003692700000000, 0.0009777500000000 ] - [ 0.0003124200000000, 0.0003954200000000, -0.0002225000000000 ] - [ -0.0004126900000000, 0.0012720300000000, 0.0006142500000000 ] - [ -0.0003175000000000, -0.0004208300000000, -0.0013291200000000 ] - [ 0.0001716300000000, 0.0007085100000000, -0.0014442300000000 ] - [ 0.0001739700000000, 0.0000706900000000, 0.0001825000000000 ] - [ 0.0001564400000000, 0.0000303700000000, 0.0001061900000000 ] - [ -0.0003203700000000, 0.0013483100000000, 0.0011633400000000 ] - [ -0.0001111500000000, -0.0002693200000000, -0.0000909900000000 ] - [ -0.0003286500000000, -0.0004704100000000, -0.0002673500000000 ] - [ 0.0000135300000000, -0.0000079700000000, 0.0009026100000000 ] - [ 0.0000950800000000, -0.0003629000000000, -0.0001486800000000 ] - [ -0.0000933000000000, -0.0002180300000000, 0.0000772400000000 ] - [ 0.0011857300000000, 0.0004242100000000, -0.0007720900000000 ] - [ 0.0005430400000000, 0.0005300800000000, -0.0000091900000000 ] - [ 0.0005987600000000, 0.0001336800000000, 0.0000993300000000 ] - [ 0.0002903200000000, 0.0004006700000000, -0.0002893200000000 ] - [ 0.0002792700000000, -0.0001861100000000, 0.0006042800000000 ] - [ -0.0000157900000000, -0.0000067300000000, -0.0002431300000000 ] - [ -0.0001785300000000, 0.0000645300000000, -0.0002072600000000 ] - [ -0.0001007300000000, -0.0004102200000000, -0.0001318500000000 ] - [ -0.0005539200000000, -0.0006590600000000, 0.0001329200000000 ] - [ 0.0002235100000000, -0.0002608000000000, -0.0004003500000000 ] - [ 0.0005602600000000, -0.0006486500000000, 0.0004339800000000 ] - [ 0.0006095500000000, -0.0008137500000000, -0.0007450900000000 ] - [ -0.0008328300000000, -0.0005118400000000, -0.0004933700000000 ] - [ -0.0003173100000000, -0.0003498300000000, -0.0006056400000000 ] - [ -0.0001570800000000, 0.0007524400000000, -0.0011864000000000 ] - [ 0.0000570700000000, 0.0003088700000000, 0.0007287700000000 ] - [ -0.0000932500000000, 0.0006619000000000, 0.0001621400000000 ] - [ -0.0001215300000000, -0.0001586200000000, -0.0003579400000000 ] - [ 0.0000086500000000, -0.0000232300000000, 0.0010478700000000 ] - [ 0.0004318100000000, -0.0010991800000000, 0.0005338200000000 ] - [ 0.0000849400000000, 0.0002225400000000, -0.0000495200000000 ] - [ -0.0009275900000000, 0.0006902600000000, -0.0004684000000000 ] - [ -0.0006089700000000, 0.0008514400000000, 0.0005311300000000 ] - [ 0.0003245200000000, -0.0008161800000000, 0.0011481900000000 ] - [ 0.0001408400000000, -0.0001838300000000, -0.0001892600000000 ] - [ 0.0003083100000000, -0.0004404100000000, -0.0001129200000000 ] - [ -0.0003107600000000, 0.0003978300000000, -0.0001434700000000 ] - [ 0.0001237800000000, -0.0006095400000000, 0.0002547500000000 ] - [ 0.0003389400000000, 0.0004785800000000, -0.0017499000000000 ] - [ -0.0002985500000000, 0.0002217700000000, -0.0010137600000000 ] - [ -0.0002795100000000, 0.0005773000000000, 0.0004786700000000 ] - [ 0.0003085100000000, -0.0002900600000000, -0.0014123500000000 ] - [ -0.0003377400000000, -0.0003647200000000, -0.0001571800000000 ] - [ -0.0000917900000000, 0.0003984500000000, -0.0001942600000000 ] - [ -0.0000081000000000, -0.0000235500000000, -0.0001392900000000 ] - [ -0.0001148800000000, 0.0003517200000000, 0.0010214900000000 ] - [ 0.0001200500000000, 0.0003141800000000, -0.0001046100000000 ] - [ 0.0002923500000000, 0.0007828000000000, 0.0000525300000000 ]- atom: 68 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003721400000000, -0.0000093000000000, -0.0004928700000000 ] - [ 0.0006544500000000, -0.0005608000000000, -0.0000324000000000 ] - [ -0.0008996100000000, 0.0004507400000000, 0.0006908800000000 ] - [ -0.0001670400000000, -0.0000581700000000, -0.0003592800000000 ] - [ 0.0001099500000000, 0.0001415100000000, 0.0002522400000000 ] - [ -0.0000016000000000, 0.0000540100000000, 0.0002191200000000 ] - [ 0.0000040400000000, 0.0000323800000000, 0.0004748900000000 ] - [ -0.0002601300000000, 0.0010722700000000, 0.0000513300000000 ] - [ -0.0003879200000000, -0.0002549000000000, -0.0004780600000000 ] - [ 0.0006397700000000, 0.0006712300000000, 0.0000255100000000 ] - [ -0.0007352200000000, -0.0005288100000000, 0.0001284900000000 ] - [ -0.0000195600000000, 0.0000254900000000, -0.0000500900000000 ] - [ 0.0000448200000000, 0.0000574200000000, 0.0000297600000000 ] - [ -0.0002210900000000, -0.0015464700000000, 0.0007531700000000 ] - [ -0.0021950000000000, -0.0003088200000000, 0.0018378300000000 ] - [ 0.0003681400000000, 0.0000902300000000, -0.0004924200000000 ] - [ -0.0003153300000000, -0.0001137000000000, -0.0009304700000000 ] - [ 0.0006744900000000, -0.0007540500000000, -0.0000791300000000 ] - [ -0.0006398600000000, 0.0006870300000000, -0.0000014000000000 ] - [ -0.0003684700000000, 0.0000752400000000, -0.0004949300000000 ] - [ 0.0000494500000000, 0.0000108100000000, 0.0000075900000000 ] - [ 0.0000169700000000, -0.0000109600000000, 0.0003610500000000 ] - [ -0.0000093500000000, 0.0000683500000000, 0.0005998800000000 ] - [ 0.0000075500000000, 0.0000016000000000, 0.0005152700000000 ] - [ -0.0003663700000000, -0.0000228600000000, -0.0004935400000000 ] - [ 0.0005347400000000, 0.0007386300000000, -0.0000634500000000 ] - [ -0.0006607600000000, -0.0006489800000000, -0.0000259800000000 ] - [ 0.0002681100000000, -0.0009146000000000, -0.0004228000000000 ] - [ 0.0000329200000000, -0.0000435100000000, -0.0001619000000000 ] - [ -0.0000254300000000, 0.0000097900000000, 0.0002510400000000 ] - [ -0.0000416500000000, 0.0000313900000000, -0.0000172000000000 ] - [ 0.0005928500000000, -0.0009480800000000, 0.0007755100000000 ] - [ -0.0003200500000000, 0.0000369100000000, -0.0004184300000000 ] - [ 0.0011746000000000, -0.0013641200000000, -0.0011227300000000 ] - [ 0.0276927300000000, -0.0279716100000000, -0.0118549200000000 ] - [ 0.0006469700000000, 0.0008972400000000, 0.0003842100000000 ] - [ 0.0000387900000000, -0.0007108900000000, -0.0008193400000000 ] - [ -0.0147319400000000, -0.0017995100000000, -0.0025670000000000 ] - [ -0.0004916000000000, 0.0001484100000000, -0.0006208200000000 ] - [ -0.0001821500000000, 0.0006552100000000, -0.0008674100000000 ] - [ 0.0001129200000000, 0.0000001500000000, -0.0003052000000000 ] - [ 0.0140983900000000, 0.0079183200000000, 0.0085252000000000 ] - [ -0.0001702300000000, -0.0005113300000000, -0.0009191500000000 ] - [ 0.0005337200000000, -0.0001428800000000, -0.0008326000000000 ] - [ 0.0004093200000000, 0.0005978300000000, -0.0010980000000000 ] - [ -0.0009083900000000, 0.0000123300000000, 0.0000186100000000 ] - [ -0.0009134900000000, 0.0013081600000000, -0.0000676100000000 ] - [ -0.0003006700000000, 0.0001654800000000, -0.0003869300000000 ] - [ -0.0003184500000000, -0.0002526200000000, -0.0003481000000000 ] - [ 0.0007597700000000, -0.0009462200000000, 0.0000698200000000 ] - [ 0.0003046000000000, 0.0001263100000000, -0.0004635200000000 ] - [ 0.0007852000000000, 0.0010219700000000, -0.0000155500000000 ] - [ 0.0002731000000000, -0.0007091200000000, -0.0007079100000000 ] - [ 0.0003237900000000, 0.0000189200000000, -0.0004573500000000 ] - [ -0.0008796000000000, 0.0001617900000000, -0.0004816900000000 ] - [ -0.0041863000000000, 0.0026140200000000, 0.0001363100000000 ] - [ 0.0004992000000000, -0.0000563800000000, -0.0005408600000000 ] - [ -0.0004710600000000, 0.0000426900000000, -0.0005622200000000 ] - [ 0.0004770300000000, 0.0012144000000000, -0.0018759200000000 ] - [ 0.0004706300000000, 0.0001119700000000, -0.0005189700000000 ] - [ 0.0001851000000000, 0.0007050200000000, -0.0008271900000000 ] - [ -0.0008303100000000, -0.0005196100000000, -0.0000351500000000 ] - [ -0.0007472700000000, 0.0008788300000000, 0.0000490100000000 ] - [ -0.0002940800000000, -0.0001482400000000, -0.0003811700000000 ] - [ 0.0002789400000000, -0.0005940400000000, 0.0002480500000000 ] - [ -0.0001679200000000, -0.0007721300000000, 0.0002086300000000 ] - [ 0.0004780700000000, -0.0003520900000000, 0.0001355300000000 ] - [ -0.0579056300000000, 0.0283990000000000, 0.0026241200000000 ] - [ -0.0001672300000000, 0.0000283000000000, 0.0002084400000000 ] - [ 0.0001073800000000, -0.0004406000000000, 0.0008581500000000 ] - [ -0.0006656300000000, -0.0009648600000000, 0.0003502800000000 ] - [ -0.0004543000000000, 0.0008299300000000, 0.0004854500000000 ] - [ 0.0017991100000000, -0.0006343100000000, -0.0015576700000000 ] - [ 0.0003598500000000, -0.0003032300000000, -0.0000682400000000 ] - [ 0.0001508400000000, -0.0000768300000000, 0.0001606200000000 ] - [ 0.0016734800000000, -0.0108019800000000, -0.0035218000000000 ] - [ -0.0002972400000000, 0.0001700200000000, 0.0006432300000000 ] - [ -0.0001104800000000, -0.0001835200000000, -0.0000381100000000 ] - [ -0.0002952100000000, -0.0004616500000000, -0.0002151800000000 ] - [ 0.0001827700000000, -0.0001607400000000, 0.0010948800000000 ] - [ 0.0001515700000000, -0.0003278700000000, 0.0001161400000000 ] - [ 0.0001034600000000, -0.0003644700000000, 0.0000829600000000 ] - [ 0.0008696600000000, 0.0005549500000000, -0.0002603500000000 ] - [ 0.0005473800000000, 0.0006041100000000, 0.0002364300000000 ] - [ 0.0005014600000000, 0.0008230000000000, 0.0004316500000000 ] - [ 0.0003545900000000, 0.0002475900000000, -0.0000628800000000 ] - [ 0.0002965800000000, 0.0003163100000000, 0.0006192700000000 ] - [ -0.0003517900000000, -0.0001821400000000, -0.0001533500000000 ] - [ -0.0000740300000000, 0.0001440500000000, -0.0001760200000000 ] - [ -0.0007217900000000, 0.0013617500000000, 0.0009817000000000 ] - [ 0.0082732100000000, 0.0015944800000000, 0.0010134200000000 ] - [ 0.0001750100000000, 0.0007127600000000, 0.0004027800000000 ] - [ 0.0006567900000000, -0.0005504900000000, 0.0001827200000000 ] - [ 0.0008788300000000, -0.0006094200000000, -0.0002641400000000 ] - [ 0.0028588100000000, 0.0086582900000000, 0.0036914300000000 ] - [ -0.0002349400000000, -0.0000679100000000, -0.0000321100000000 ] - [ -0.0001242300000000, -0.0005399500000000, 0.0003016200000000 ] - [ -0.0002105600000000, 0.0002465800000000, 0.0004977900000000 ] - [ -0.0001243400000000, 0.0004818200000000, 0.0002949200000000 ] - [ -0.0002476900000000, 0.0005859200000000, 0.0002461900000000 ] - [ 0.0001828900000000, -0.0000146200000000, 0.0010691400000000 ] - [ 0.0004661100000000, -0.0008242700000000, 0.0004952200000000 ] - [ 0.0004272900000000, 0.0004769300000000, -0.0000074700000000 ] - [ 0.0180631600000000, -0.0077055400000000, -0.0042714400000000 ] - [ -0.0005667300000000, 0.0006469900000000, 0.0002669100000000 ] - [ 0.0003062200000000, -0.0001055500000000, 0.0006395800000000 ] - [ 0.0046203000000000, 0.0080102300000000, 0.0025964400000000 ] - [ 0.0003293300000000, -0.0003972000000000, -0.0001251000000000 ] - [ -0.0004030100000000, 0.0002493000000000, 0.0001553900000000 ] - [ -0.0001134300000000, -0.0002337800000000, 0.0001320800000000 ] - [ 0.0003166000000000, 0.0002498600000000, -0.0006525000000000 ] - [ -0.0045434800000000, 0.0001252500000000, -0.0004295800000000 ] - [ -0.0003006200000000, -0.0002458000000000, 0.0006725800000000 ] - [ 0.0003269400000000, -0.0003100900000000, -0.0006533600000000 ] - [ -0.0003978800000000, -0.0002864900000000, 0.0005192800000000 ] - [ -0.0001046500000000, 0.0002481100000000, -0.0000627300000000 ] - [ -0.0003302000000000, -0.0000582200000000, -0.0003387400000000 ] - [ -0.0001192500000000, 0.0003457700000000, 0.0009339100000000 ] - [ 0.0001130900000000, 0.0001590800000000, -0.0001043700000000 ] - [ 0.0002699500000000, 0.0004925500000000, 0.0002476400000000 ] - [ 0.0004924200000000, -0.0010597800000000, 0.0000270900000000 ] - [ -0.0002826100000000, -0.0006497900000000, 0.0002384300000000 ] - [ -0.0000989100000000, -0.0003807800000000, 0.0009017500000000 ] - [ -0.0004559900000000, -0.0009423100000000, 0.0004245300000000 ] - [ -0.0001552900000000, -0.0000030200000000, 0.0001314300000000 ] - [ 0.0000891000000000, -0.0003432200000000, 0.0008502600000000 ] - [ 0.0003136400000000, 0.0003765700000000, -0.0001772100000000 ] - [ 0.0008361000000000, -0.0000368900000000, 0.0009876200000000 ] - [ -0.0003246700000000, -0.0002958000000000, -0.0006287500000000 ] - [ 0.0005350500000000, -0.0010300400000000, -0.0008719300000000 ] - [ 0.0001936900000000, -0.0000794600000000, 0.0000521500000000 ] - [ 0.0001566300000000, 0.0000080700000000, 0.0001514700000000 ] - [ 0.0030262600000000, 0.0010113900000000, -0.0001897100000000 ] - [ -0.0001353000000000, -0.0002404600000000, -0.0001578400000000 ] - [ -0.0002990500000000, -0.0004546200000000, -0.0001580700000000 ] - [ -0.0000770000000000, -0.0000602700000000, 0.0010128300000000 ] - [ 0.0000972600000000, -0.0004493500000000, -0.0001841800000000 ] - [ -0.0001613100000000, -0.0000010200000000, 0.0001561500000000 ] - [ 0.0008336000000000, 0.0006484300000000, -0.0002913700000000 ] - [ 0.0005547500000000, 0.0007931600000000, 0.0002866600000000 ] - [ 0.0004467200000000, 0.0010134500000000, 0.0003710000000000 ] - [ 0.0005845500000000, 0.0002391900000000, 0.0001734500000000 ] - [ 0.0002984800000000, 0.0001410500000000, 0.0006102600000000 ] - [ 0.0000530700000000, -0.0000391000000000, -0.0001817100000000 ] - [ -0.0001145900000000, 0.0002440200000000, -0.0001071500000000 ] - [ -0.0001018300000000, -0.0003570500000000, -0.0001179700000000 ] - [ -0.0005677500000000, -0.0006945500000000, 0.0002678200000000 ] - [ 0.0001517100000000, 0.0005240500000000, 0.0002706500000000 ] - [ 0.0005678800000000, -0.0006935000000000, 0.0002543600000000 ] - [ 0.0009255000000000, -0.0005034200000000, -0.0002541500000000 ] - [ -0.0008740300000000, -0.0006017800000000, -0.0002486400000000 ] - [ -0.0003774500000000, 0.0002910100000000, -0.0000967400000000 ] - [ 0.0000059100000000, -0.0004268400000000, 0.0002884000000000 ] - [ 0.0001385800000000, 0.0003125200000000, 0.0010159200000000 ] - [ -0.0006224200000000, 0.0006060200000000, 0.0005624500000000 ] - [ -0.0003392800000000, 0.0008641300000000, 0.0003437100000000 ] - [ 0.0000272800000000, 0.0000050400000000, 0.0009653800000000 ] - [ 0.0004586400000000, -0.0009622700000000, 0.0003912400000000 ] - [ 0.0001009900000000, 0.0003639400000000, -0.0001115700000000 ] - [ -0.0008690900000000, 0.0005572100000000, -0.0002466400000000 ] - [ -0.0007652900000000, -0.0014105200000000, -0.0004861300000000 ] - [ 0.0002979500000000, -0.0002107800000000, 0.0006251000000000 ] - [ 0.0001204300000000, -0.0002332300000000, -0.0001205000000000 ] - [ 0.0003752000000000, -0.0003589300000000, -0.0001657600000000 ] - [ -0.0003098900000000, 0.0004093000000000, -0.0001885900000000 ] - [ 0.0001244800000000, -0.0005495600000000, 0.0002979100000000 ] - [ 0.0002446200000000, 0.0003294800000000, -0.0006477300000000 ] - [ -0.0003184800000000, 0.0002575400000000, -0.0006364000000000 ] - [ -0.0024567700000000, -0.0055947300000000, 0.0012787000000000 ] - [ 0.0004740200000000, -0.0001617300000000, -0.0006914400000000 ] - [ -0.0003623600000000, -0.0003152500000000, -0.0000750000000000 ] - [ -0.0000585500000000, 0.0002186900000000, -0.0001487200000000 ] - [ -0.0000061100000000, 0.0000057600000000, -0.0001945400000000 ] - [ -0.0000825900000000, 0.0003001900000000, 0.0008303800000000 ] - [ 0.0002691200000000, 0.0004086600000000, -0.0005132400000000 ] - [ 0.0002393600000000, 0.0000205000000000, 0.0008101500000000 ]- atom: 68 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003660900000000, -0.0000895600000000, -0.0004911500000000 ] - [ 0.0006359300000000, -0.0007315700000000, 0.0000580600000000 ] - [ -0.0003833300000000, 0.0008698900000000, -0.0007155300000000 ] - [ -0.0005553500000000, 0.0001556500000000, -0.0006256300000000 ] - [ -0.0000339600000000, -0.0001702200000000, -0.0002687300000000 ] - [ 0.0000007500000000, -0.0000541100000000, 0.0003912300000000 ] - [ -0.0000040400000000, -0.0000324300000000, 0.0006322700000000 ] - [ 0.0002482200000000, -0.0010782200000000, 0.0010550600000000 ] - [ -0.0003644100000000, 0.0001511200000000, -0.0005035000000000 ] - [ 0.0006509300000000, 0.0006215900000000, -0.0000002200000000 ] - [ -0.0005507500000000, -0.0007579200000000, -0.0001001100000000 ] - [ -0.0000605800000000, 0.0000017400000000, 0.0000360900000000 ] - [ 0.0000342200000000, -0.0000308700000000, -0.0000456500000000 ] - [ 0.0002289900000000, 0.0015376200000000, -0.0001480000000000 ] - [ 0.0021300700000000, 0.0002657200000000, -0.0018500700000000 ] - [ 0.0003694100000000, 0.0000094300000000, -0.0004916800000000 ] - [ 0.0010572900000000, 0.0000266100000000, -0.0000637900000000 ] - [ 0.0006154600000000, -0.0005382300000000, 0.0001040000000000 ] - [ -0.0006513100000000, 0.0006053800000000, 0.0000262500000000 ] - [ -0.0003698400000000, 0.0000244300000000, -0.0004888600000000 ] - [ 0.0000293900000000, -0.0000360000000000, -0.0000222700000000 ] - [ -0.0000178400000000, 0.0000123900000000, 0.0002492200000000 ] - [ 0.0000093100000000, -0.0000669200000000, 0.0005066800000000 ] - [ -0.0000085600000000, -0.0000013700000000, 0.0005917800000000 ] - [ -0.0003718700000000, -0.0000757200000000, -0.0004904800000000 ] - [ 0.0007609500000000, 0.0005494200000000, 0.0000864000000000 ] - [ -0.0006297500000000, -0.0006426100000000, 0.0000511600000000 ] - [ -0.0003505300000000, 0.0009473200000000, 0.0004122200000000 ] - [ 0.0000467100000000, 0.0000690500000000, 0.0001485500000000 ] - [ 0.0000253900000000, -0.0000100600000000, 0.0003600400000000 ] - [ -0.0000377700000000, -0.0000571800000000, 0.0000025700000000 ] - [ 0.0001374700000000, 0.0010521300000000, -0.0017652400000000 ] - [ -0.0003017900000000, -0.0001628700000000, -0.0004415400000000 ] - [ 0.0003080200000000, -0.0004840400000000, 0.0012378700000000 ] - [ -0.0275001600000000, 0.0278502400000000, 0.0108960400000000 ] - [ 0.0008475700000000, 0.0009615400000000, -0.0002924200000000 ] - [ 0.0003136200000000, -0.0005092100000000, -0.0009065700000000 ] - [ 0.0153282700000000, 0.0016863200000000, 0.0017028500000000 ] - [ -0.0004643400000000, -0.0001502900000000, -0.0004920200000000 ] - [ -0.0001725400000000, 0.0005633600000000, -0.0008583900000000 ] - [ 0.0008486800000000, -0.0000041600000000, -0.0008089600000000 ] - [ -0.0152877200000000, -0.0079235300000000, -0.0096636800000000 ] - [ -0.0001843200000000, -0.0007052200000000, -0.0008072600000000 ] - [ 0.0004233200000000, 0.0001437700000000, -0.0002817000000000 ] - [ -0.0000588700000000, 0.0006159700000000, -0.0006272400000000 ] - [ -0.0005879200000000, -0.0018659100000000, 0.0000694200000000 ] - [ -0.0005791800000000, 0.0005462600000000, 0.0001523200000000 ] - [ -0.0003211700000000, -0.0000373200000000, -0.0004737000000000 ] - [ -0.0003029600000000, 0.0001251300000000, -0.0005129400000000 ] - [ 0.0007349400000000, -0.0009119400000000, 0.0000196300000000 ] - [ 0.0003169400000000, 0.0000019000000000, -0.0003960500000000 ] - [ 0.0007095300000000, 0.0008386900000000, 0.0001002700000000 ] - [ 0.0000794500000000, -0.0005033800000000, -0.0010218200000000 ] - [ 0.0002978500000000, -0.0001446900000000, -0.0004020200000000 ] - [ -0.0000802400000000, -0.0001478100000000, -0.0006421800000000 ] - [ 0.0038286900000000, -0.0014326300000000, -0.0018794100000000 ] - [ 0.0004566900000000, 0.0000533400000000, -0.0005707000000000 ] - [ -0.0004849700000000, -0.0000388900000000, -0.0005503000000000 ] - [ -0.0008422200000000, -0.0024570700000000, 0.0001585700000000 ] - [ 0.0004853500000000, -0.0001082400000000, -0.0005942200000000 ] - [ 0.0001692800000000, 0.0005136000000000, -0.0008990600000000 ] - [ -0.0006637300000000, -0.0013435600000000, 0.0001229500000000 ] - [ -0.0007475000000000, 0.0009831000000000, 0.0000408200000000 ] - [ -0.0003281500000000, 0.0002745300000000, -0.0004804400000000 ] - [ 0.0002756600000000, -0.0005497300000000, 0.0002752300000000 ] - [ -0.0003833600000000, -0.0003708800000000, 0.0003157000000000 ] - [ -0.0006573700000000, -0.0003412800000000, 0.0016132100000000 ] - [ 0.0575834500000000, -0.0299468100000000, -0.0014734100000000 ] - [ -0.0001386300000000, 0.0000319300000000, 0.0000665600000000 ] - [ 0.0000698900000000, -0.0002540100000000, 0.0008950100000000 ] - [ 0.0012845200000000, 0.0018111800000000, -0.0007246600000000 ] - [ -0.0004611400000000, 0.0009717500000000, 0.0003793600000000 ] - [ -0.0024292400000000, 0.0000607400000000, 0.0002261500000000 ] - [ 0.0003591600000000, -0.0002684800000000, -0.0000753300000000 ] - [ 0.0001540800000000, 0.0000165000000000, 0.0001145600000000 ] - [ -0.0013852600000000, 0.0109943800000000, 0.0037949700000000 ] - [ -0.0003002600000000, 0.0002344600000000, 0.0006429200000000 ] - [ -0.0001413800000000, -0.0002292900000000, -0.0002422800000000 ] - [ -0.0003289900000000, -0.0003887000000000, -0.0001574000000000 ] - [ -0.0001821700000000, 0.0001592800000000, 0.0008541900000000 ] - [ 0.0000392300000000, -0.0003782900000000, -0.0003804400000000 ] - [ -0.0004103600000000, 0.0003128600000000, 0.0001938600000000 ] - [ 0.0008729700000000, 0.0006050400000000, -0.0002502500000000 ] - [ 0.0005850100000000, 0.0007185200000000, 0.0002770700000000 ] - [ 0.0004134200000000, 0.0009790100000000, 0.0004332800000000 ] - [ 0.0003644000000000, 0.0003231500000000, -0.0000806500000000 ] - [ 0.0003015700000000, 0.0000893500000000, 0.0006664700000000 ] - [ 0.0003497200000000, 0.0001811500000000, -0.0002327800000000 ] - [ -0.0001814700000000, 0.0002639000000000, -0.0001045500000000 ] - [ 0.0005274400000000, -0.0021168700000000, -0.0012529000000000 ] - [ -0.0094823000000000, -0.0028939400000000, -0.0005411300000000 ] - [ 0.0000707100000000, 0.0003284200000000, 0.0001871700000000 ] - [ 0.0004756000000000, -0.0007725500000000, 0.0003323100000000 ] - [ 0.0008634500000000, -0.0005515700000000, -0.0002462700000000 ] - [ -0.0046774100000000, -0.0099384900000000, -0.0042387300000000 ] - [ -0.0004807800000000, 0.0006410600000000, -0.0001148500000000 ] - [ -0.0001235000000000, -0.0004966600000000, 0.0002874600000000 ] - [ 0.0003880200000000, 0.0004498100000000, 0.0012529500000000 ] - [ -0.0001234900000000, 0.0005539200000000, 0.0002938800000000 ] - [ -0.0003078400000000, 0.0005565000000000, 0.0002769000000000 ] - [ -0.0001877500000000, 0.0000140300000000, 0.0008800600000000 ] - [ 0.0004486700000000, -0.0009763700000000, 0.0003706800000000 ] - [ -0.0002393000000000, 0.0002296700000000, -0.0002541800000000 ] - [ -0.0194805100000000, 0.0087141300000000, 0.0036555000000000 ] - [ -0.0005657500000000, 0.0006750100000000, 0.0002461200000000 ] - [ 0.0002909900000000, -0.0002988000000000, 0.0006481800000000 ] - [ -0.0043461100000000, -0.0082968900000000, -0.0028556400000000 ] - [ 0.0002936500000000, -0.0004543400000000, -0.0002469300000000 ] - [ -0.0002203500000000, 0.0005999200000000, -0.0005353700000000 ] - [ 0.0003653900000000, -0.0007999700000000, 0.0004576100000000 ] - [ 0.0003259800000000, 0.0003064800000000, -0.0006383600000000 ] - [ 0.0038920200000000, 0.0004690900000000, -0.0008462300000000 ] - [ -0.0002970200000000, -0.0001602000000000, 0.0006138100000000 ] - [ 0.0003156800000000, -0.0002471300000000, -0.0006382500000000 ] - [ -0.0003239600000000, -0.0002887200000000, -0.0006720300000000 ] - [ -0.0000865800000000, 0.0004566300000000, -0.0002015500000000 ] - [ 0.0003351800000000, 0.0000583300000000, -0.0000438100000000 ] - [ -0.0000574900000000, 0.0003486100000000, 0.0008174800000000 ] - [ 0.0001393300000000, 0.0002534400000000, -0.0001759400000000 ] - [ 0.0002849300000000, 0.0006492300000000, 0.0002766100000000 ] - [ 0.0000613400000000, -0.0000739900000000, 0.0005036000000000 ] - [ -0.0002725100000000, -0.0004941600000000, 0.0002859600000000 ] - [ -0.0000786800000000, -0.0003152100000000, 0.0008508600000000 ] - [ -0.0004596200000000, -0.0008609600000000, 0.0004397500000000 ] - [ -0.0001500400000000, 0.0000617400000000, 0.0001441400000000 ] - [ 0.0000879000000000, -0.0003540300000000, 0.0009023700000000 ] - [ 0.0003096400000000, 0.0004738800000000, -0.0001952800000000 ] - [ -0.0017484000000000, 0.0018032400000000, -0.0001033300000000 ] - [ -0.0003182600000000, -0.0002617400000000, -0.0006624900000000 ] - [ 0.0001923600000000, 0.0004691400000000, 0.0007452700000000 ] - [ 0.0001081800000000, 0.0000159200000000, 0.0002231800000000 ] - [ 0.0001484000000000, 0.0000513800000000, 0.0001239600000000 ] - [ -0.0036613400000000, -0.0006092200000000, 0.0015145700000000 ] - [ -0.0001173000000000, -0.0001727700000000, -0.0001218300000000 ] - [ -0.0003250600000000, -0.0003962400000000, -0.0002128800000000 ] - [ 0.0000779500000000, 0.0000606700000000, 0.0009391000000000 ] - [ 0.0000935700000000, -0.0002557800000000, -0.0000793300000000 ] - [ -0.0001437300000000, -0.0000588500000000, 0.0001192100000000 ] - [ 0.0009101400000000, 0.0005117900000000, -0.0002188900000000 ] - [ 0.0005775600000000, 0.0005296300000000, 0.0002268500000000 ] - [ 0.0004683600000000, 0.0007890400000000, 0.0004942400000000 ] - [ 0.0001304200000000, 0.0003345100000000, -0.0003216900000000 ] - [ 0.0002987000000000, 0.0002638100000000, 0.0006764800000000 ] - [ -0.0000546000000000, 0.0000392800000000, -0.0002031700000000 ] - [ -0.0001379900000000, 0.0001687000000000, -0.0001730600000000 ] - [ -0.0000890800000000, -0.0003487800000000, -0.0001467300000000 ] - [ -0.0005644100000000, -0.0006293000000000, 0.0002454500000000 ] - [ 0.0000951300000000, 0.0005107700000000, 0.0003192200000000 ] - [ 0.0005640600000000, -0.0006300500000000, 0.0002589900000000 ] - [ 0.0008161500000000, -0.0006572700000000, -0.0002559700000000 ] - [ -0.0008688100000000, -0.0005587500000000, -0.0002620500000000 ] - [ -0.0003409200000000, 0.0002789600000000, -0.0000465300000000 ] - [ -0.0002431900000000, -0.0005973000000000, 0.0003107300000000 ] - [ 0.0000381900000000, 0.0003834500000000, 0.0007351900000000 ] - [ 0.0003780100000000, 0.0004290100000000, 0.0000265500000000 ] - [ -0.0002141300000000, 0.0002705200000000, 0.0001779000000000 ] - [ -0.0000280400000000, -0.0000059000000000, 0.0009860500000000 ] - [ 0.0004562900000000, -0.0008414200000000, 0.0004733600000000 ] - [ 0.0000896000000000, 0.0003408800000000, -0.0001539100000000 ] - [ -0.0008739100000000, 0.0006029700000000, -0.0002638000000000 ] - [ -0.0003731200000000, 0.0027700200000000, 0.0010079800000000 ] - [ 0.0002993100000000, -0.0001961100000000, 0.0006623000000000 ] - [ 0.0001317100000000, -0.0001798300000000, -0.0001593700000000 ] - [ 0.0002483500000000, -0.0004947400000000, -0.0002074700000000 ] - [ -0.0003137500000000, 0.0004407400000000, -0.0001843700000000 ] - [ 0.0001231700000000, -0.0004871400000000, 0.0002916800000000 ] - [ 0.0003978600000000, 0.0002277200000000, -0.0006426200000000 ] - [ -0.0003244600000000, 0.0002986800000000, -0.0006546800000000 ] - [ 0.0018350000000000, 0.0052169800000000, 0.0000274000000000 ] - [ 0.0001705400000000, -0.0003953400000000, -0.0005979400000000 ] - [ -0.0003568600000000, -0.0002565500000000, -0.0000685600000000 ] - [ -0.0001317900000000, 0.0004810100000000, -0.0001129500000000 ] - [ 0.0000064600000000, -0.0000065100000000, -0.0001910200000000 ] - [ -0.0000947400000000, 0.0003951000000000, 0.0009209700000000 ] - [ -0.0000130300000000, 0.0000005700000000, 0.0002365500000000 ] - [ 0.0003159800000000, 0.0011268600000000, -0.0002900400000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003102500000000, -0.0011758900000000, -0.0003669800000000 ] - [ 0.0004773600000000, -0.0017371000000000, 0.0006788300000000 ] - [ -0.0008200800000000, 0.0086500800000000, 0.0000446900000000 ] - [ 0.0025567100000000, 0.0011762500000000, -0.0039499900000000 ] - [ 0.0010857800000000, 0.0020389800000000, -0.0013720100000000 ] - [ 0.0001696100000000, 0.0004189200000000, -0.0002231900000000 ] - [ -0.0000213100000000, 0.0004868400000000, 0.0001370300000000 ] - [ 0.0009153500000000, -0.0047424900000000, 0.0026908800000000 ] - [ -0.0019380200000000, 0.0013086800000000, -0.0035833300000000 ] - [ 0.0008466500000000, -0.0005425600000000, 0.0000262400000000 ] - [ 0.0000484600000000, -0.0020148900000000, -0.0008619200000000 ] - [ 0.0000055300000000, -0.0010763900000000, -0.0005821700000000 ] - [ 0.0001082700000000, -0.0013489700000000, 0.0006007700000000 ] - [ -0.0019525100000000, -0.0032543500000000, 0.0025779700000000 ] - [ -0.0028916300000000, 0.0049194700000000, 0.0040675200000000 ] - [ 0.0004560900000000, -0.0010631900000000, -0.0004019400000000 ] - [ 0.0023689800000000, 0.0039058600000000, 0.0019445200000000 ] - [ 0.0003257800000000, -0.0004204500000000, 0.0009904300000000 ] - [ -0.0008207800000000, -0.0005273400000000, 0.0000713100000000 ] - [ -0.0004847400000000, -0.0014343600000000, -0.0006514500000000 ] - [ -0.0000870400000000, -0.0013774300000000, -0.0000774900000000 ] - [ 0.0000717600000000, -0.0016591600000000, 0.0002038400000000 ] - [ -0.0001767100000000, -0.0015878700000000, 0.0004955200000000 ] - [ 0.0000773100000000, -0.0008944200000000, 0.0006645700000000 ] - [ -0.0002114500000000, -0.0015002500000000, -0.0005994300000000 ] - [ -0.0005479100000000, 0.0032628600000000, -0.0018956400000000 ] - [ -0.0006479500000000, -0.0017216300000000, -0.0006184400000000 ] - [ -0.0001185600000000, -0.0031599300000000, -0.0014663100000000 ] - [ -0.0000202700000000, -0.0001642500000000, 0.0014195300000000 ] - [ 0.0000585500000000, -0.0009239200000000, 0.0004527900000000 ] - [ 0.0000742800000000, -0.0012910400000000, -0.0000491500000000 ] - [ -0.0015986200000000, 0.0040751300000000, 0.0024832400000000 ] - [ 0.0001309400000000, -0.0032719500000000, -0.0002268600000000 ] - [ 0.0026137000000000, -0.0049997500000000, -0.0105090500000000 ] - [ -0.0183331700000000, 0.0824479900000000, 0.0309948400000000 ] - [ 0.0002035700000000, 0.0020602900000000, 0.0033776900000000 ] - [ 0.0001972900000000, -0.0009088400000000, -0.0021074800000000 ] - [ -0.0051959300000000, 0.0088055800000000, 0.0014410000000000 ] - [ -0.0003190900000000, -0.0011053500000000, -0.0002607300000000 ] - [ -0.0000063500000000, -0.0016085100000000, -0.0013436700000000 ] - [ 0.0011240900000000, -0.0032649000000000, -0.0005572600000000 ] - [ 0.0006185100000000, 0.0115920300000000, 0.0177761400000000 ] - [ -0.0002749300000000, -0.0023101200000000, -0.0004469100000000 ] - [ 0.0001808900000000, 0.0041353200000000, -0.0002759000000000 ] - [ 0.0004032900000000, 0.0046795600000000, -0.0010190100000000 ] - [ -0.0000231500000000, -0.0021434000000000, 0.0032233600000000 ] - [ -0.0004238700000000, 0.0020070400000000, -0.0024892100000000 ] - [ -0.0007142900000000, -0.0029979700000000, 0.0000113100000000 ] - [ -0.0004767600000000, 0.0033383600000000, -0.0005787600000000 ] - [ 0.0008025100000000, -0.0036159500000000, -0.0006631600000000 ] - [ 0.0006201500000000, -0.0025446400000000, -0.0005174800000000 ] - [ 0.0006297700000000, -0.0018280200000000, 0.0006940700000000 ] - [ 0.0004914900000000, -0.0044297300000000, 0.0001675300000000 ] - [ 0.0000696400000000, -0.0024488300000000, -0.0008780700000000 ] - [ -0.0006824000000000, -0.0027298500000000, 0.0010289400000000 ] - [ -0.0008635700000000, 0.0095218600000000, -0.0008539900000000 ] - [ 0.0008162900000000, -0.0003323300000000, -0.0014275700000000 ] - [ -0.0006286700000000, -0.0022837400000000, -0.0010312700000000 ] - [ -0.0032555900000000, -0.0137573600000000, 0.0056540700000000 ] - [ 0.0005830000000000, -0.0027976400000000, -0.0011187400000000 ] - [ -0.0000455600000000, -0.0020841600000000, -0.0014766000000000 ] - [ -0.0003825400000000, -0.0048348400000000, 0.0005386600000000 ] - [ -0.0008982100000000, -0.0019111600000000, -0.0005636000000000 ] - [ 0.0001182300000000, 0.0041435600000000, -0.0015027700000000 ] - [ 0.0002655400000000, 0.0011313600000000, 0.0010863100000000 ] - [ -0.0003694900000000, -0.0040434000000000, -0.0020185600000000 ] - [ 0.0005211200000000, -0.0000756000000000, -0.0022808500000000 ] - [ 0.0274305000000000, -0.1852900800000000, -0.0728838600000000 ] - [ -0.0002956900000000, -0.0013024200000000, 0.0009254800000000 ] - [ 0.0001516200000000, -0.0010388800000000, 0.0018228200000000 ] - [ 0.0016034600000000, 0.0027172500000000, -0.0025597100000000 ] - [ -0.0003869900000000, 0.0020562600000000, 0.0001427300000000 ] - [ 0.0004566900000000, -0.0012084300000000, 0.0013421000000000 ] - [ 0.0002642500000000, 0.0004950200000000, -0.0000927900000000 ] - [ 0.0002414100000000, 0.0003133500000000, 0.0003299900000000 ] - [ -0.0114353600000000, 0.0248932600000000, 0.0032245200000000 ] - [ -0.0003601500000000, 0.0014165300000000, 0.0009831000000000 ] - [ -0.0001858300000000, -0.0014720500000000, 0.0007306900000000 ] - [ -0.0002583200000000, 0.0001990100000000, -0.0005341300000000 ] - [ -0.0003353600000000, -0.0000422200000000, -0.0005521700000000 ] - [ -0.0000093600000000, -0.0014972700000000, -0.0016073600000000 ] - [ -0.0010296300000000, 0.0021778900000000, 0.0003566700000000 ] - [ 0.0008732600000000, 0.0015186500000000, -0.0003784900000000 ] - [ 0.0006443300000000, 0.0018668700000000, 0.0002732400000000 ] - [ 0.0003793800000000, 0.0033325500000000, -0.0007752500000000 ] - [ 0.0003971400000000, 0.0008910200000000, -0.0002420800000000 ] - [ 0.0003109600000000, -0.0014657800000000, 0.0009908800000000 ] - [ 0.0008286100000000, 0.0001698000000000, -0.0011290700000000 ] - [ -0.0000928500000000, 0.0012025300000000, -0.0002580400000000 ] - [ 0.0019946700000000, 0.0171834300000000, 0.0067762600000000 ] - [ -0.0037536100000000, -0.0091499300000000, 0.0019019800000000 ] - [ 0.0001429000000000, 0.0018194400000000, 0.0016221700000000 ] - [ 0.0007088800000000, -0.0028478300000000, 0.0010399000000000 ] - [ 0.0008485900000000, 0.0003507900000000, -0.0002869900000000 ] - [ 0.0103451500000000, 0.0099641200000000, 0.0053225400000000 ] - [ -0.0007404400000000, 0.0011743500000000, 0.0013455200000000 ] - [ -0.0000566000000000, 0.0003867200000000, 0.0001057200000000 ] - [ 0.0001068500000000, 0.0010852200000000, -0.0008850800000000 ] - [ -0.0001920500000000, 0.0011969300000000, 0.0003268000000000 ] - [ -0.0002694900000000, 0.0017775500000000, 0.0003185600000000 ] - [ 0.0013599100000000, 0.0002213300000000, 0.0023244800000000 ] - [ 0.0003822400000000, -0.0035836900000000, -0.0003065100000000 ] - [ 0.0004874500000000, 0.0015001500000000, 0.0009765700000000 ] - [ -0.0128831500000000, 0.0009777600000000, 0.0010062600000000 ] - [ -0.0006364400000000, 0.0017896700000000, 0.0005464600000000 ] - [ 0.0004536300000000, -0.0014658000000000, 0.0021477000000000 ] - [ 0.0131877400000000, 0.0070262800000000, -0.0011624200000000 ] - [ 0.0002642600000000, 0.0005765500000000, 0.0005716800000000 ] - [ -0.0003712900000000, -0.0001720400000000, 0.0034098700000000 ] - [ 0.0010398600000000, -0.0031412200000000, 0.0017715800000000 ] - [ 0.0004596100000000, 0.0011399400000000, -0.0007253300000000 ] - [ -0.0023586900000000, -0.0000029500000000, 0.0122486900000000 ] - [ -0.0002413500000000, 0.0009791500000000, 0.0003883900000000 ] - [ 0.0001809200000000, 0.0005409600000000, -0.0009364300000000 ] - [ -0.0014486600000000, -0.0031846600000000, 0.0006863500000000 ] - [ -0.0000434500000000, 0.0002779400000000, -0.0004627100000000 ] - [ -0.0018353400000000, 0.0003601400000000, 0.0017179300000000 ] - [ -0.0002207500000000, 0.0009261200000000, 0.0019380900000000 ] - [ -0.0000409700000000, 0.0006154000000000, 0.0001424900000000 ] - [ 0.0002302600000000, 0.0016610500000000, -0.0009164700000000 ] - [ 0.0006217100000000, -0.0029575500000000, -0.0002361600000000 ] - [ -0.0002363100000000, 0.0014832400000000, 0.0010411800000000 ] - [ 0.0000166000000000, 0.0005205900000000, 0.0007888600000000 ] - [ -0.0004985400000000, 0.0007544100000000, 0.0011813700000000 ] - [ 0.0001232200000000, 0.0011541500000000, -0.0000563900000000 ] - [ 0.0000236600000000, 0.0006266900000000, 0.0010737800000000 ] - [ 0.0003352200000000, 0.0016338700000000, -0.0003976300000000 ] - [ 0.0004533800000000, 0.0015415800000000, -0.0010321800000000 ] - [ -0.0002028100000000, 0.0005355800000000, -0.0003927400000000 ] - [ -0.0000224700000000, -0.0038953700000000, 0.0014333500000000 ] - [ 0.0002538300000000, 0.0011141600000000, 0.0002702000000000 ] - [ -0.0000385100000000, 0.0009096100000000, -0.0000373600000000 ] - [ 0.0008390100000000, -0.0052749000000000, -0.0028190300000000 ] - [ -0.0000792200000000, 0.0006097600000000, -0.0001860100000000 ] - [ -0.0005513800000000, 0.0004841200000000, -0.0003729800000000 ] - [ 0.0002923800000000, 0.0008375700000000, 0.0007394800000000 ] - [ -0.0000737800000000, 0.0012575700000000, 0.0002529100000000 ] - [ -0.0002080500000000, 0.0003594400000000, 0.0003695900000000 ] - [ 0.0010451300000000, -0.0006497100000000, -0.0000227200000000 ] - [ 0.0005830400000000, -0.0006647700000000, -0.0000050500000000 ] - [ 0.0005699000000000, 0.0000507800000000, 0.0007773200000000 ] - [ -0.0015069600000000, 0.0022096500000000, -0.0036038700000000 ] - [ 0.0003800400000000, 0.0018116400000000, 0.0010950600000000 ] - [ -0.0001784100000000, 0.0006875100000000, -0.0003641000000000 ] - [ -0.0002763200000000, 0.0003892200000000, 0.0001750000000000 ] - [ 0.0000198200000000, 0.0008591100000000, 0.0002398400000000 ] - [ -0.0005198900000000, 0.0004405700000000, 0.0001335400000000 ] - [ 0.0003179700000000, 0.0018851400000000, 0.0006440600000000 ] - [ 0.0005075600000000, 0.0005415500000000, 0.0000686300000000 ] - [ 0.0006371200000000, -0.0016447800000000, -0.0002358400000000 ] - [ -0.0009637100000000, 0.0001710300000000, -0.0001374000000000 ] - [ -0.0006806600000000, 0.0014220300000000, 0.0001638600000000 ] - [ 0.0019165700000000, -0.0058672000000000, 0.0016649500000000 ] - [ -0.0000597600000000, 0.0011195400000000, 0.0001135300000000 ] - [ 0.0018204200000000, 0.0009442100000000, -0.0015769800000000 ] - [ -0.0005927100000000, 0.0045021400000000, 0.0006552000000000 ] - [ -0.0000024700000000, 0.0007256800000000, 0.0011652800000000 ] - [ 0.0005181100000000, 0.0010847300000000, 0.0012555300000000 ] - [ 0.0001852100000000, 0.0009888200000000, 0.0000543000000000 ] - [ -0.0007905100000000, 0.0013370400000000, -0.0002374000000000 ] - [ -0.0023127700000000, 0.0085601400000000, 0.0029073700000000 ] - [ 0.0002037900000000, 0.0015126700000000, 0.0000810800000000 ] - [ 0.0001284900000000, 0.0005403100000000, -0.0002432900000000 ] - [ 0.0003713400000000, 0.0008833500000000, 0.0002978200000000 ] - [ -0.0003583100000000, 0.0016487500000000, -0.0002656900000000 ] - [ 0.0000625600000000, 0.0005052700000000, 0.0001231100000000 ] - [ 0.0000557500000000, -0.0015341500000000, -0.0007078300000000 ] - [ -0.0004634100000000, 0.0011080700000000, -0.0004776700000000 ] - [ -0.0042359200000000, 0.0255269600000000, -0.0091169200000000 ] - [ 0.0005407000000000, -0.0014993000000000, -0.0011132600000000 ] - [ -0.0002692600000000, 0.0005921200000000, -0.0000520000000000 ] - [ -0.0001377100000000, 0.0019401100000000, -0.0009119400000000 ] - [ 0.0000431500000000, 0.0006230800000000, -0.0000012200000000 ] - [ -0.0002858100000000, 0.0015048000000000, 0.0012432300000000 ] - [ 0.0007545800000000, 0.0015625400000000, -0.0004855500000000 ] - [ 0.0005171400000000, 0.0044110000000000, -0.0026802300000000 ]- atom: 68 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004284300000000, 0.0010798500000000, -0.0006168100000000 ] - [ 0.0008138300000000, 0.0004462300000000, -0.0006498200000000 ] - [ -0.0005761100000000, -0.0072977200000000, -0.0002087100000000 ] - [ -0.0032999400000000, -0.0010806300000000, 0.0029653900000000 ] - [ -0.0010104300000000, -0.0020657100000000, 0.0013674800000000 ] - [ -0.0001698600000000, -0.0004154000000000, 0.0008347300000000 ] - [ 0.0000218000000000, -0.0004835800000000, 0.0009710600000000 ] - [ -0.0009416400000000, 0.0047178000000000, -0.0015905000000000 ] - [ 0.0012022500000000, -0.0014177300000000, 0.0026030600000000 ] - [ 0.0004441000000000, 0.0018374500000000, -0.0000005000000000 ] - [ -0.0013362200000000, 0.0007235600000000, 0.0008949900000000 ] - [ -0.0000858000000000, 0.0011080900000000, 0.0005682900000000 ] - [ -0.0000293600000000, 0.0013786600000000, -0.0006160000000000 ] - [ 0.0019670900000000, 0.0032482000000000, -0.0019762000000000 ] - [ 0.0028086100000000, -0.0049304400000000, -0.0040879200000000 ] - [ 0.0002814900000000, 0.0011652600000000, -0.0005818400000000 ] - [ -0.0016538300000000, -0.0040344800000000, -0.0029448400000000 ] - [ 0.0009681000000000, -0.0008753100000000, -0.0009741300000000 ] - [ -0.0004700800000000, 0.0018228000000000, -0.0000472500000000 ] - [ -0.0002530600000000, 0.0015367700000000, -0.0003328400000000 ] - [ 0.0001663400000000, 0.0013544500000000, 0.0000635600000000 ] - [ -0.0000716700000000, 0.0016652300000000, 0.0004080800000000 ] - [ 0.0001767000000000, 0.0015931800000000, 0.0006121100000000 ] - [ -0.0000772100000000, 0.0008948000000000, 0.0004407900000000 ] - [ -0.0005269600000000, 0.0014048600000000, -0.0003852100000000 ] - [ 0.0018426600000000, -0.0019782300000000, 0.0019255200000000 ] - [ -0.0006425600000000, 0.0004339900000000, 0.0006437600000000 ] - [ 0.0000321400000000, 0.0032075000000000, 0.0014709300000000 ] - [ 0.0001023600000000, 0.0001898000000000, -0.0014479300000000 ] - [ -0.0000591300000000, 0.0009249000000000, 0.0001554600000000 ] - [ -0.0001536900000000, 0.0012684100000000, 0.0000340500000000 ] - [ 0.0023457400000000, -0.0040166500000000, -0.0034593400000000 ] - [ -0.0007530000000000, 0.0031500100000000, -0.0006318000000000 ] - [ -0.0011421900000000, 0.0031788400000000, 0.0106592500000000 ] - [ 0.0211868000000000, -0.0884706600000000, -0.0350449300000000 ] - [ 0.0012930100000000, -0.0001836900000000, -0.0032870700000000 ] - [ 0.0001555200000000, -0.0003167500000000, 0.0003824200000000 ] - [ 0.0059000300000000, -0.0090804300000000, -0.0023015400000000 ] - [ -0.0006371500000000, 0.0011097900000000, -0.0008524900000000 ] - [ -0.0003484900000000, 0.0028312600000000, -0.0003817600000000 ] - [ -0.0001496100000000, 0.0032662100000000, -0.0005644400000000 ] - [ -0.0009906100000000, -0.0099414900000000, -0.0173842600000000 ] - [ -0.0000789700000000, 0.0010986300000000, -0.0012800000000000 ] - [ 0.0007782200000000, -0.0041372900000000, -0.0008394200000000 ] - [ -0.0000537800000000, -0.0034638200000000, -0.0007158600000000 ] - [ -0.0014763500000000, 0.0003055600000000, -0.0031369500000000 ] - [ -0.0010661900000000, -0.0001367300000000, 0.0025715600000000 ] - [ 0.0000933200000000, 0.0031312500000000, -0.0008725700000000 ] - [ -0.0001443200000000, -0.0034818900000000, -0.0002844200000000 ] - [ 0.0006915900000000, 0.0017585900000000, 0.0007564900000000 ] - [ 0.0000009300000000, 0.0026790100000000, -0.0003425300000000 ] - [ 0.0008651800000000, 0.0036942500000000, -0.0006087300000000 ] - [ -0.0001422600000000, 0.0032266900000000, -0.0019053200000000 ] - [ 0.0005528700000000, 0.0023293800000000, 0.0000185900000000 ] - [ -0.0002712700000000, 0.0027349400000000, -0.0021463300000000 ] - [ 0.0004797300000000, -0.0082648400000000, -0.0008846900000000 ] - [ 0.0001382000000000, 0.0003222200000000, 0.0003161500000000 ] - [ -0.0003266800000000, 0.0022909600000000, -0.0000807200000000 ] - [ 0.0029298900000000, 0.0126549600000000, -0.0074229300000000 ] - [ 0.0003727400000000, 0.0028083100000000, 0.0000077500000000 ] - [ 0.0004004400000000, 0.0033082100000000, -0.0002488600000000 ] - [ -0.0011137300000000, 0.0029882400000000, -0.0004537000000000 ] - [ -0.0005962600000000, 0.0037753200000000, 0.0006560800000000 ] - [ -0.0007407200000000, -0.0040336900000000, 0.0006410000000000 ] - [ 0.0002886700000000, -0.0022773500000000, -0.0005644900000000 ] - [ -0.0001805000000000, 0.0028924200000000, 0.0025459900000000 ] - [ -0.0007071900000000, -0.0006275600000000, 0.0040276500000000 ] - [ -0.0309521600000000, 0.1877560600000000, 0.0753267700000000 ] - [ -0.0000089400000000, 0.0013614000000000, -0.0006513100000000 ] - [ 0.0000255100000000, 0.0003407100000000, -0.0000714600000000 ] - [ -0.0009771000000000, -0.0018748600000000, 0.0021872900000000 ] - [ -0.0005288300000000, -0.0002582700000000, 0.0007236000000000 ] - [ -0.0011185400000000, 0.0006682900000000, -0.0026547900000000 ] - [ 0.0004553000000000, -0.0010673900000000, -0.0000508500000000 ] - [ 0.0000631700000000, -0.0003751300000000, -0.0000557500000000 ] - [ 0.0114431400000000, -0.0241807700000000, -0.0027638900000000 ] - [ -0.0002370000000000, -0.0010143100000000, 0.0003022500000000 ] - [ -0.0000674400000000, 0.0010595400000000, -0.0010115100000000 ] - [ -0.0003667400000000, -0.0010530200000000, 0.0001606400000000 ] - [ 0.0003361700000000, 0.0000382700000000, 0.0024952800000000 ] - [ 0.0002000300000000, 0.0007897900000000, 0.0013422600000000 ] - [ 0.0007135100000000, -0.0022019000000000, -0.0000742800000000 ] - [ 0.0008698500000000, -0.0003591200000000, -0.0001321700000000 ] - [ 0.0004887300000000, -0.0005457400000000, 0.0002399700000000 ] - [ 0.0005354800000000, -0.0015307500000000, 0.0016403000000000 ] - [ 0.0003221900000000, -0.0003217200000000, 0.0000980400000000 ] - [ 0.0002877400000000, 0.0018774100000000, 0.0003009800000000 ] - [ -0.0008278100000000, -0.0001726800000000, 0.0007407900000000 ] - [ -0.0001647400000000, -0.0007966400000000, -0.0000238000000000 ] - [ -0.0021856900000000, -0.0179420500000000, -0.0070653500000000 ] - [ 0.0027068300000000, 0.0078727200000000, -0.0013868500000000 ] - [ 0.0001039600000000, -0.0007746900000000, -0.0010346900000000 ] - [ 0.0004246900000000, 0.0015333600000000, -0.0005289200000000 ] - [ 0.0008934100000000, -0.0015132800000000, -0.0002236000000000 ] - [ -0.0124194500000000, -0.0113982100000000, -0.0059689800000000 ] - [ 0.0000219900000000, -0.0005959400000000, -0.0014962100000000 ] - [ -0.0001916700000000, -0.0014241800000000, 0.0004838900000000 ] - [ 0.0000752100000000, -0.0003916600000000, 0.0026384000000000 ] - [ -0.0000562200000000, -0.0001631700000000, 0.0002616800000000 ] - [ -0.0002855500000000, -0.0006307200000000, 0.0002010600000000 ] - [ -0.0013642500000000, -0.0002255500000000, -0.0003758700000000 ] - [ 0.0005344900000000, 0.0017892700000000, 0.0011740800000000 ] - [ -0.0003049200000000, -0.0007995900000000, -0.0012325600000000 ] - [ 0.0112293500000000, 0.0002408900000000, -0.0015387400000000 ] - [ -0.0004958200000000, -0.0004705400000000, -0.0000340600000000 ] - [ 0.0001434800000000, 0.0010660000000000, -0.0008608400000000 ] - [ -0.0127880500000000, -0.0073399600000000, 0.0009417200000000 ] - [ 0.0003591700000000, -0.0014311800000000, -0.0009431600000000 ] - [ -0.0002541900000000, 0.0010148200000000, -0.0037977800000000 ] - [ -0.0007886900000000, 0.0021104700000000, -0.0011715100000000 ] - [ 0.0001829100000000, -0.0005844700000000, -0.0005660000000000 ] - [ 0.0017309100000000, 0.0006620500000000, -0.0136641200000000 ] - [ -0.0003561400000000, -0.0013871700000000, 0.0008984700000000 ] - [ 0.0004620400000000, -0.0010992600000000, -0.0003556700000000 ] - [ 0.0007320200000000, 0.0026153200000000, -0.0008282800000000 ] - [ -0.0001471400000000, 0.0004231500000000, 0.0001979100000000 ] - [ 0.0018453100000000, -0.0003634800000000, -0.0020993500000000 ] - [ 0.0000449400000000, -0.0002347700000000, -0.0001873100000000 ] - [ 0.0002938500000000, -0.0002046900000000, -0.0004236300000000 ] - [ 0.0003243400000000, -0.0005221700000000, 0.0014423700000000 ] - [ -0.0000684500000000, 0.0018070300000000, 0.0007602300000000 ] - [ -0.0003180100000000, -0.0026316600000000, -0.0005186000000000 ] - [ -0.0001945300000000, -0.0012185400000000, 0.0009655000000000 ] - [ -0.0004173100000000, -0.0025600700000000, -0.0003181200000000 ] - [ -0.0004285000000000, -0.0010976600000000, 0.0003316100000000 ] - [ 0.0001532700000000, -0.0013247200000000, 0.0006775600000000 ] - [ 0.0002884800000000, -0.0007862500000000, 0.0000258300000000 ] - [ -0.0013866800000000, 0.0002664500000000, 0.0019009800000000 ] - [ -0.0004402200000000, -0.0010946800000000, -0.0008978100000000 ] - [ 0.0007761200000000, 0.0033238800000000, -0.0015900000000000 ] - [ 0.0000507500000000, -0.0011767500000000, 0.0000029500000000 ] - [ 0.0003437600000000, -0.0008514800000000, 0.0003131300000000 ] - [ -0.0014086300000000, 0.0057080100000000, 0.0041104300000000 ] - [ -0.0001741600000000, -0.0010239500000000, -0.0000945500000000 ] - [ -0.0000709500000000, -0.0013366600000000, 0.0000026500000000 ] - [ -0.0002953200000000, -0.0008397800000000, 0.0012144400000000 ] - [ 0.0002648000000000, -0.0019679200000000, -0.0005194400000000 ] - [ -0.0000975600000000, -0.0004164600000000, -0.0000931000000000 ] - [ 0.0006946800000000, 0.0018159600000000, -0.0004875900000000 ] - [ 0.0005485000000000, 0.0019970500000000, 0.0005227500000000 ] - [ 0.0003456800000000, 0.0017593500000000, 0.0000856300000000 ] - [ 0.0022523800000000, -0.0016609600000000, 0.0035037700000000 ] - [ 0.0002170800000000, -0.0014084100000000, 0.0001914800000000 ] - [ 0.0001801400000000, -0.0006892300000000, -0.0000210100000000 ] - [ 0.0000236700000000, 0.0000264000000000, -0.0004535800000000 ] - [ -0.0002105700000000, -0.0015651700000000, -0.0005046300000000 ] - [ -0.0006122100000000, -0.0017661500000000, 0.0003801400000000 ] - [ -0.0000712800000000, -0.0008521800000000, -0.0000527100000000 ] - [ 0.0006246500000000, -0.0018662600000000, 0.0004446700000000 ] - [ 0.0011079800000000, 0.0004896300000000, -0.0002729900000000 ] - [ -0.0007789000000000, -0.0013334800000000, -0.0003733200000000 ] - [ -0.0000370900000000, -0.0008538700000000, -0.0003056400000000 ] - [ -0.0021716600000000, 0.0048392500000000, -0.0010741900000000 ] - [ 0.0002389300000000, -0.0004250000000000, 0.0016458300000000 ] - [ -0.0020957200000000, 0.0000880900000000, 0.0021861700000000 ] - [ 0.0000422400000000, -0.0033768300000000, -0.0001337200000000 ] - [ 0.0000018500000000, -0.0007265800000000, 0.0007852600000000 ] - [ 0.0003975200000000, -0.0028916000000000, -0.0003928500000000 ] - [ 0.0000054200000000, -0.0002822200000000, -0.0003212100000000 ] - [ -0.0009524000000000, -0.0001778300000000, -0.0002728400000000 ] - [ 0.0011681500000000, -0.0072176700000000, -0.0023963000000000 ] - [ 0.0003937700000000, -0.0019224100000000, 0.0012076900000000 ] - [ 0.0001238900000000, -0.0009546500000000, -0.0000359400000000 ] - [ 0.0002508800000000, -0.0017362500000000, -0.0006724200000000 ] - [ -0.0002652200000000, -0.0008003200000000, -0.0001073400000000 ] - [ 0.0001862000000000, -0.0015434300000000, 0.0004673800000000 ] - [ 0.0005873300000000, 0.0020997300000000, -0.0005816100000000 ] - [ -0.0001790600000000, -0.0005532600000000, -0.0008127200000000 ] - [ 0.0037994500000000, -0.0264535200000000, 0.0107359000000000 ] - [ 0.0001009600000000, 0.0009510300000000, -0.0001784700000000 ] - [ -0.0004504400000000, -0.0011650900000000, -0.0000911900000000 ] - [ -0.0000529900000000, -0.0012382400000000, 0.0006502700000000 ] - [ -0.0000431600000000, -0.0006235900000000, -0.0003855400000000 ] - [ 0.0001092700000000, -0.0008100800000000, 0.0005048600000000 ] - [ -0.0005063500000000, -0.0011571200000000, 0.0002065900000000 ] - [ 0.0000349800000000, -0.0032891700000000, 0.0032247400000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003669600000000, -0.0004611900000000, -0.0004097900000000 ] - [ 0.0006099000000000, -0.0008360600000000, 0.0005613600000000 ] - [ -0.0012896000000000, 0.0033226900000000, 0.0072077700000000 ] - [ 0.0038107100000000, -0.0006034700000000, -0.0046388100000000 ] - [ 0.0007848100000000, 0.0008156900000000, -0.0021760000000000 ] - [ -0.0000459200000000, 0.0004361000000000, -0.0008075200000000 ] - [ 0.0000544400000000, 0.0004841100000000, -0.0003217700000000 ] - [ 0.0005744900000000, -0.0018093800000000, 0.0019336300000000 ] - [ -0.0029753200000000, -0.0005745400000000, -0.0039748000000000 ] - [ 0.0007362700000000, 0.0000774300000000, 0.0001137400000000 ] - [ -0.0001507200000000, -0.0020586900000000, 0.0001761500000000 ] - [ 0.0001115500000000, -0.0006599500000000, -0.0005745500000000 ] - [ 0.0001700200000000, -0.0001709600000000, 0.0005273600000000 ] - [ -0.0015869100000000, -0.0011655000000000, 0.0031438600000000 ] - [ -0.0004161200000000, 0.0036803400000000, 0.0024356800000000 ] - [ 0.0004104100000000, -0.0003569800000000, -0.0004223000000000 ] - [ 0.0001165900000000, 0.0015474400000000, -0.0005424500000000 ] - [ 0.0006651100000000, -0.0004218000000000, -0.0003474800000000 ] - [ -0.0007116200000000, 0.0001960700000000, -0.0000488300000000 ] - [ -0.0004260900000000, -0.0006838300000000, -0.0006125100000000 ] - [ 0.0000023700000000, -0.0006774900000000, 0.0000485400000000 ] - [ 0.0000636600000000, -0.0006413100000000, 0.0005794400000000 ] - [ -0.0001088800000000, -0.0005833000000000, 0.0007511700000000 ] - [ 0.0000775400000000, -0.0005546700000000, 0.0003764300000000 ] - [ -0.0002652300000000, -0.0007695600000000, -0.0005824900000000 ] - [ -0.0003706000000000, 0.0020705100000000, -0.0022065300000000 ] - [ -0.0007160300000000, -0.0013001400000000, -0.0005591100000000 ] - [ -0.0002730300000000, -0.0022097900000000, 0.0000670300000000 ] - [ -0.0000697400000000, 0.0000479300000000, -0.0003798400000000 ] - [ -0.0000760200000000, -0.0005124600000000, 0.0000393900000000 ] - [ 0.0000175400000000, -0.0005023800000000, -0.0001075000000000 ] - [ 0.0011415500000000, 0.0024879300000000, -0.0014242000000000 ] - [ -0.0000965700000000, -0.0014925700000000, -0.0000844700000000 ] - [ 0.0028462200000000, -0.0047745300000000, -0.0090490100000000 ] - [ -0.0066867000000000, 0.0282752300000000, 0.0367356700000000 ] - [ 0.0007356800000000, 0.0031952300000000, 0.0017350000000000 ] - [ 0.0000445000000000, -0.0017588700000000, -0.0023783100000000 ] - [ -0.0015028800000000, -0.0004479900000000, 0.0053457500000000 ] - [ -0.0004452800000000, 0.0002005200000000, -0.0008458400000000 ] - [ -0.0000984500000000, -0.0004396300000000, -0.0011789900000000 ] - [ 0.0006648800000000, -0.0018555700000000, -0.0002217000000000 ] - [ 0.0039299100000000, 0.0069597100000000, 0.0308157000000000 ] - [ -0.0001892300000000, -0.0008557900000000, -0.0010521500000000 ] - [ 0.0006236600000000, 0.0017123900000000, -0.0026475700000000 ] - [ 0.0005011400000000, 0.0025131000000000, -0.0029543600000000 ] - [ -0.0015196200000000, 0.0034449300000000, 0.0005951400000000 ] - [ -0.0008273900000000, 0.0009163400000000, -0.0016591100000000 ] - [ -0.0004716400000000, -0.0011915900000000, 0.0001053600000000 ] - [ -0.0003102800000000, 0.0011763900000000, -0.0029354500000000 ] - [ 0.0007172400000000, -0.0028938200000000, -0.0000521000000000 ] - [ 0.0004538900000000, -0.0011210200000000, -0.0007549100000000 ] - [ 0.0007258700000000, 0.0000002900000000, 0.0003789400000000 ] - [ 0.0004534500000000, -0.0031729400000000, 0.0002748600000000 ] - [ 0.0002407500000000, -0.0010226000000000, -0.0008716700000000 ] - [ -0.0002737200000000, -0.0016883900000000, 0.0010849900000000 ] - [ 0.0006423400000000, 0.0038041500000000, 0.0019480200000000 ] - [ 0.0007710900000000, -0.0006628000000000, -0.0016615800000000 ] - [ -0.0005387400000000, -0.0011696800000000, -0.0008957500000000 ] - [ 0.0003005300000000, -0.0001939400000000, -0.0011324400000000 ] - [ 0.0005026800000000, -0.0009951500000000, -0.0006334600000000 ] - [ 0.0000829000000000, -0.0004930400000000, -0.0010403100000000 ] - [ -0.0008568700000000, -0.0011286700000000, -0.0001344200000000 ] - [ -0.0008439600000000, -0.0008456900000000, -0.0001670300000000 ] - [ -0.0001237300000000, 0.0020243900000000, -0.0037785600000000 ] - [ 0.0002751300000000, 0.0003132200000000, 0.0006528400000000 ] - [ -0.0001390400000000, -0.0032228700000000, -0.0005321400000000 ] - [ 0.0001730300000000, -0.0007917300000000, -0.0012498400000000 ] - [ 0.0014607500000000, -0.0749718300000000, -0.0812265200000000 ] - [ -0.0003305700000000, -0.0008909100000000, 0.0012769800000000 ] - [ 0.0001784800000000, -0.0006933800000000, 0.0019419400000000 ] - [ -0.0013265200000000, -0.0044860000000000, 0.0010569400000000 ] - [ -0.0004049100000000, 0.0011982300000000, 0.0005613300000000 ] - [ -0.0001035400000000, 0.0003926900000000, 0.0000677400000000 ] - [ 0.0003125800000000, 0.0000793400000000, -0.0000713300000000 ] - [ 0.0001971300000000, -0.0000138400000000, 0.0004084600000000 ] - [ -0.0046139300000000, 0.0055174800000000, -0.0065715200000000 ] - [ -0.0003247200000000, 0.0007320200000000, 0.0008524200000000 ] - [ -0.0000726900000000, -0.0009725400000000, 0.0013088200000000 ] - [ -0.0003187500000000, -0.0007289300000000, -0.0004779000000000 ] - [ 0.0002546100000000, -0.0007814000000000, 0.0001591000000000 ] - [ 0.0002913200000000, -0.0010393400000000, 0.0004681900000000 ] - [ -0.0005521000000000, 0.0010936300000000, 0.0001132400000000 ] - [ 0.0008760300000000, 0.0009762700000000, -0.0003732800000000 ] - [ 0.0006019400000000, 0.0010541300000000, 0.0001328600000000 ] - [ 0.0004585000000000, 0.0021176900000000, -0.0003327900000000 ] - [ 0.0003429700000000, 0.0003852200000000, -0.0000855500000000 ] - [ 0.0003767900000000, 0.0000603600000000, 0.0021057600000000 ] - [ -0.0004888800000000, -0.0008580600000000, -0.0002508700000000 ] - [ -0.0001438700000000, 0.0008864700000000, -0.0005674300000000 ] - [ 0.0019759000000000, 0.0170632100000000, 0.0046298500000000 ] - [ 0.0050773500000000, -0.0008728700000000, -0.0012139400000000 ] - [ 0.0000906000000000, 0.0028986200000000, 0.0016777000000000 ] - [ 0.0006346200000000, -0.0019014000000000, 0.0013943900000000 ] - [ 0.0008614700000000, -0.0001734400000000, -0.0003423400000000 ] - [ 0.0046281800000000, 0.0057435200000000, -0.0005312000000000 ] - [ -0.0006675600000000, 0.0019457800000000, 0.0010231600000000 ] - [ -0.0000950000000000, -0.0001079500000000, 0.0002195500000000 ] - [ -0.0001768500000000, -0.0004029000000000, -0.0010330000000000 ] - [ -0.0001338900000000, 0.0006659200000000, 0.0003317700000000 ] - [ -0.0003049100000000, 0.0019511800000000, -0.0000896200000000 ] - [ 0.0011413100000000, 0.0003593700000000, 0.0021401300000000 ] - [ 0.0003957500000000, -0.0016488700000000, 0.0012009400000000 ] - [ 0.0004860500000000, 0.0013119900000000, 0.0001117400000000 ] - [ -0.0084697700000000, 0.0035766900000000, -0.0025892500000000 ] - [ -0.0006068200000000, 0.0012571500000000, 0.0005131800000000 ] - [ 0.0004180700000000, -0.0006922300000000, 0.0027957700000000 ] - [ 0.0055075300000000, -0.0002497000000000, -0.0074253100000000 ] - [ 0.0003039100000000, 0.0002838100000000, 0.0002908600000000 ] - [ -0.0003214700000000, 0.0007450900000000, 0.0029236400000000 ] - [ 0.0009675400000000, -0.0025788700000000, 0.0017362100000000 ] - [ 0.0003770300000000, 0.0006382400000000, -0.0007709300000000 ] - [ -0.0047390400000000, 0.0128611200000000, 0.0197531500000000 ] - [ -0.0002812900000000, 0.0001623500000000, 0.0006999200000000 ] - [ 0.0002715200000000, 0.0000084100000000, -0.0009096000000000 ] - [ -0.0017674400000000, -0.0023526800000000, 0.0019772400000000 ] - [ -0.0001463600000000, -0.0003899200000000, 0.0002268000000000 ] - [ -0.0014954700000000, 0.0003369800000000, 0.0008544400000000 ] - [ -0.0002971000000000, 0.0008941300000000, 0.0019969800000000 ] - [ -0.0000776200000000, 0.0002908800000000, 0.0002960400000000 ] - [ 0.0002764700000000, 0.0004635400000000, -0.0000549400000000 ] - [ 0.0004242300000000, -0.0011647700000000, 0.0001404600000000 ] - [ -0.0002539600000000, 0.0002282000000000, 0.0005585200000000 ] - [ -0.0000848900000000, -0.0000725800000000, 0.0010262500000000 ] - [ -0.0004657600000000, -0.0001543700000000, 0.0008605900000000 ] - [ -0.0000010300000000, 0.0004984900000000, -0.0000209100000000 ] - [ 0.0000189900000000, 0.0002176200000000, 0.0007800300000000 ] - [ 0.0003308500000000, 0.0008269400000000, -0.0002462700000000 ] - [ 0.0000835800000000, 0.0023724100000000, -0.0017240100000000 ] - [ -0.0002708000000000, 0.0001081500000000, -0.0003861400000000 ] - [ -0.0015548400000000, -0.0013836300000000, 0.0012736500000000 ] - [ 0.0003672400000000, 0.0004508500000000, -0.0002410000000000 ] - [ 0.0000609700000000, 0.0004324400000000, 0.0001194000000000 ] - [ -0.0014504900000000, -0.0028083800000000, -0.0035032300000000 ] - [ -0.0001774400000000, 0.0001468900000000, -0.0002922100000000 ] - [ -0.0003479300000000, -0.0002453400000000, -0.0002461100000000 ] - [ -0.0001603900000000, 0.0001472000000000, 0.0010155900000000 ] - [ 0.0000147800000000, -0.0000162200000000, -0.0002175100000000 ] - [ -0.0002163700000000, 0.0004326500000000, 0.0006147700000000 ] - [ 0.0008172600000000, 0.0000175800000000, 0.0005087800000000 ] - [ 0.0006361000000000, 0.0003650200000000, 0.0008857000000000 ] - [ 0.0005198900000000, 0.0005596100000000, 0.0011737600000000 ] - [ 0.0004150700000000, 0.0002496600000000, -0.0001712000000000 ] - [ 0.0003362700000000, 0.0008896200000000, 0.0007615200000000 ] - [ 0.0001779400000000, 0.0001471700000000, -0.0002468200000000 ] - [ -0.0001922400000000, 0.0005768200000000, 0.0004973800000000 ] - [ -0.0000529300000000, 0.0004529900000000, 0.0002270900000000 ] - [ -0.0005480900000000, -0.0001975500000000, 0.0002576400000000 ] - [ 0.0003171300000000, 0.0013300900000000, 0.0004111100000000 ] - [ 0.0005406100000000, -0.0001287400000000, 0.0001247000000000 ] - [ 0.0007361400000000, -0.0009520900000000, 0.0003940900000000 ] - [ -0.0009264600000000, -0.0002434700000000, -0.0001352000000000 ] - [ -0.0006354800000000, 0.0009909400000000, -0.0000100100000000 ] - [ 0.0013740800000000, -0.0031019000000000, 0.0007733300000000 ] - [ 0.0002031800000000, 0.0005669300000000, 0.0012100700000000 ] - [ -0.0001913800000000, 0.0001410000000000, 0.0000269200000000 ] - [ -0.0005992500000000, 0.0038180400000000, 0.0007969000000000 ] - [ -0.0000319400000000, 0.0004825700000000, 0.0009514000000000 ] - [ 0.0004991300000000, -0.0000790100000000, 0.0006702900000000 ] - [ 0.0001480800000000, 0.0007623300000000, 0.0000234500000000 ] - [ -0.0008188900000000, 0.0008871600000000, -0.0001840700000000 ] - [ -0.0014514800000000, 0.0063286700000000, -0.0001009200000000 ] - [ 0.0002395700000000, 0.0007651000000000, 0.0001989600000000 ] - [ 0.0000805000000000, 0.0000940300000000, -0.0000652800000000 ] - [ 0.0002909500000000, 0.0005172900000000, 0.0000182300000000 ] - [ -0.0003324100000000, 0.0010844200000000, -0.0002532400000000 ] - [ 0.0000940600000000, -0.0000878900000000, 0.0002154600000000 ] - [ 0.0002554200000000, -0.0006526500000000, 0.0006029000000000 ] - [ -0.0003879600000000, 0.0006552900000000, -0.0004801600000000 ] - [ 0.0018793200000000, -0.0100516300000000, -0.0005551100000000 ] - [ 0.0001174500000000, -0.0008276300000000, 0.0001854600000000 ] - [ -0.0003286500000000, 0.0000775700000000, -0.0000685500000000 ] - [ -0.0001538900000000, 0.0011982100000000, -0.0006295200000000 ] - [ 0.0000690000000000, 0.0004261600000000, -0.0001110100000000 ] - [ -0.0001460600000000, 0.0010358500000000, 0.0006986800000000 ] - [ -0.0000041200000000, 0.0007840100000000, -0.0009297300000000 ] - [ 0.0002411200000000, 0.0000276800000000, 0.0008989900000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003713400000000, 0.0003517500000000, -0.0005768900000000 ] - [ 0.0006804800000000, -0.0004656400000000, -0.0005269000000000 ] - [ -0.0001909700000000, -0.0017967600000000, -0.0075147300000000 ] - [ -0.0045989400000000, 0.0007232500000000, 0.0036660200000000 ] - [ -0.0007094900000000, -0.0008395200000000, 0.0021544300000000 ] - [ 0.0000461200000000, -0.0004356400000000, 0.0014182000000000 ] - [ -0.0000543800000000, -0.0004836100000000, 0.0014286400000000 ] - [ -0.0005851000000000, 0.0017878000000000, -0.0008417200000000 ] - [ 0.0022711300000000, 0.0004784100000000, 0.0029970200000000 ] - [ 0.0005549000000000, 0.0012177700000000, -0.0000824000000000 ] - [ -0.0011412500000000, 0.0007583900000000, -0.0001518800000000 ] - [ -0.0001872900000000, 0.0006836900000000, 0.0005575100000000 ] - [ -0.0000943100000000, 0.0001941700000000, -0.0005419400000000 ] - [ 0.0015841600000000, 0.0011733800000000, -0.0025286900000000 ] - [ 0.0003389700000000, -0.0036936800000000, -0.0024627600000000 ] - [ 0.0003282100000000, 0.0004605900000000, -0.0005643500000000 ] - [ 0.0006294200000000, -0.0016402000000000, -0.0004281100000000 ] - [ 0.0006250500000000, -0.0008755400000000, 0.0003868100000000 ] - [ -0.0005797400000000, 0.0010985200000000, 0.0000809300000000 ] - [ -0.0003127500000000, 0.0007859900000000, -0.0003747200000000 ] - [ 0.0000723900000000, 0.0006482600000000, -0.0000651600000000 ] - [ -0.0000631100000000, 0.0006359200000000, 0.0000297100000000 ] - [ 0.0001080600000000, 0.0005777700000000, 0.0003551000000000 ] - [ -0.0000777300000000, 0.0005536500000000, 0.0007333500000000 ] - [ -0.0004727900000000, 0.0006587500000000, -0.0004047900000000 ] - [ 0.0016597000000000, -0.0007665000000000, 0.0022368500000000 ] - [ -0.0005746200000000, -0.0000006500000000, 0.0005891800000000 ] - [ 0.0001983600000000, 0.0022333700000000, -0.0000913500000000 ] - [ 0.0001447900000000, -0.0000236700000000, 0.0003769900000000 ] - [ 0.0000768700000000, 0.0005108300000000, 0.0005748800000000 ] - [ -0.0000926800000000, 0.0004725700000000, 0.0000919500000000 ] - [ -0.0004035800000000, -0.0023614900000000, 0.0004483200000000 ] - [ -0.0005228900000000, 0.0013548600000000, -0.0007765900000000 ] - [ -0.0013530500000000, 0.0029260600000000, 0.0091327800000000 ] - [ 0.0076399200000000, -0.0294804700000000, -0.0380302000000000 ] - [ 0.0007590300000000, -0.0013292200000000, -0.0016387700000000 ] - [ 0.0003112200000000, 0.0005524000000000, 0.0006571000000000 ] - [ 0.0021536600000000, 0.0002857400000000, -0.0062092200000000 ] - [ -0.0005117900000000, -0.0002077400000000, -0.0002674900000000 ] - [ -0.0002540800000000, 0.0016496100000000, -0.0005457200000000 ] - [ 0.0003015200000000, 0.0018437100000000, -0.0008952100000000 ] - [ -0.0046590300000000, -0.0059077200000000, -0.0312638000000000 ] - [ -0.0001638700000000, -0.0003637700000000, -0.0006711200000000 ] - [ 0.0003352600000000, -0.0017064800000000, 0.0015358100000000 ] - [ -0.0001539000000000, -0.0012894700000000, 0.0012277400000000 ] - [ 0.0000249600000000, -0.0052935200000000, -0.0005012700000000 ] - [ -0.0006642500000000, 0.0009441500000000, 0.0017448200000000 ] - [ -0.0001503500000000, 0.0013110900000000, -0.0009660600000000 ] - [ -0.0003112800000000, -0.0012937000000000, 0.0020821200000000 ] - [ 0.0007769400000000, 0.0010344500000000, 0.0001391200000000 ] - [ 0.0001675600000000, 0.0012424700000000, -0.0001061200000000 ] - [ 0.0007666800000000, 0.0018464000000000, -0.0002849400000000 ] - [ -0.0001015300000000, 0.0019501600000000, -0.0019989500000000 ] - [ 0.0003793900000000, 0.0008875700000000, 0.0000098200000000 ] - [ -0.0006832200000000, 0.0016745400000000, -0.0021994700000000 ] - [ -0.0009768100000000, -0.0025540000000000, -0.0036497100000000 ] - [ 0.0001848000000000, 0.0006613500000000, 0.0005506000000000 ] - [ -0.0004191700000000, 0.0011692600000000, -0.0002190100000000 ] - [ -0.0006804000000000, -0.0011264800000000, -0.0005645800000000 ] - [ 0.0004551600000000, 0.0009899300000000, -0.0004833300000000 ] - [ 0.0002692800000000, 0.0016997000000000, -0.0006862100000000 ] - [ -0.0006340500000000, -0.0007486000000000, 0.0002296300000000 ] - [ -0.0006500400000000, 0.0026980800000000, 0.0002552800000000 ] - [ -0.0004968000000000, -0.0018876300000000, 0.0029301400000000 ] - [ 0.0002810800000000, -0.0014387500000000, -0.0001248400000000 ] - [ -0.0004111700000000, 0.0020893500000000, 0.0010623700000000 ] - [ -0.0003503700000000, 0.0000913200000000, 0.0030038100000000 ] - [ -0.0026293900000000, 0.0731706900000000, 0.0826340600000000 ] - [ 0.0000360000000000, 0.0009510700000000, -0.0010012000000000 ] - [ -0.0000086300000000, -0.0000064200000000, -0.0001848300000000 ] - [ 0.0019538300000000, 0.0053480700000000, -0.0014417400000000 ] - [ -0.0005049800000000, 0.0006196600000000, 0.0003021200000000 ] - [ -0.0005438400000000, -0.0009470500000000, -0.0013379000000000 ] - [ 0.0004120800000000, -0.0006480100000000, -0.0000716300000000 ] - [ 0.0000977400000000, -0.0000465200000000, -0.0001322100000000 ] - [ 0.0048509400000000, -0.0053575500000000, 0.0067687700000000 ] - [ -0.0002731500000000, -0.0003274600000000, 0.0004284400000000 ] - [ -0.0001793600000000, 0.0005540600000000, -0.0015865100000000 ] - [ -0.0003003500000000, -0.0001210600000000, 0.0001012300000000 ] - [ -0.0002560000000000, 0.0007796500000000, 0.0017620400000000 ] - [ -0.0001022300000000, 0.0003366600000000, -0.0007224400000000 ] - [ 0.0002518400000000, -0.0011393800000000, 0.0001698500000000 ] - [ 0.0008662200000000, 0.0001719800000000, -0.0001357700000000 ] - [ 0.0005276800000000, 0.0002728200000000, 0.0003861800000000 ] - [ 0.0004505700000000, -0.0002953900000000, 0.0011939600000000 ] - [ 0.0003820900000000, 0.0001869700000000, -0.0000577100000000 ] - [ 0.0002206900000000, 0.0003359000000000, -0.0008208100000000 ] - [ 0.0004914000000000, 0.0008580000000000, -0.0001345900000000 ] - [ -0.0001083200000000, -0.0004661300000000, 0.0002892600000000 ] - [ -0.0021387600000000, -0.0176240700000000, -0.0048465700000000 ] - [ -0.0062324600000000, -0.0004699900000000, 0.0017518900000000 ] - [ 0.0001496500000000, -0.0018770500000000, -0.0011018700000000 ] - [ 0.0004923200000000, 0.0005712100000000, -0.0008752200000000 ] - [ 0.0008805700000000, -0.0009697700000000, -0.0001663300000000 ] - [ -0.0064419800000000, -0.0069342900000000, 0.0000742100000000 ] - [ -0.0000596600000000, -0.0013873000000000, -0.0011654100000000 ] - [ -0.0001412700000000, -0.0009324400000000, 0.0003599600000000 ] - [ 0.0003511000000000, 0.0011026500000000, 0.0027864500000000 ] - [ -0.0001026400000000, 0.0003784800000000, 0.0002482400000000 ] - [ -0.0002514500000000, -0.0008257500000000, 0.0006197800000000 ] - [ -0.0011370500000000, -0.0003596900000000, -0.0002073400000000 ] - [ 0.0005141700000000, -0.0001707400000000, -0.0003404000000000 ] - [ -0.0002998700000000, -0.0006105600000000, -0.0003612500000000 ] - [ 0.0066547100000000, -0.0023953200000000, 0.0021244400000000 ] - [ -0.0005224800000000, 0.0000693300000000, 0.0000062000000000 ] - [ 0.0001784200000000, 0.0002860700000000, -0.0015277200000000 ] - [ -0.0052470600000000, -0.0002375700000000, 0.0070795400000000 ] - [ 0.0003145500000000, -0.0011324400000000, -0.0006649900000000 ] - [ -0.0002967000000000, 0.0000983800000000, -0.0032958900000000 ] - [ -0.0007312500000000, 0.0015474900000000, -0.0011456100000000 ] - [ 0.0002656200000000, -0.0000757500000000, -0.0005203500000000 ] - [ 0.0042025900000000, -0.0125562400000000, -0.0215738500000000 ] - [ -0.0003161100000000, -0.0005605500000000, 0.0005797500000000 ] - [ 0.0003703300000000, -0.0005663500000000, -0.0003828100000000 ] - [ 0.0010546300000000, 0.0017941500000000, -0.0021206500000000 ] - [ -0.0000431300000000, 0.0010908900000000, -0.0004808800000000 ] - [ 0.0014938000000000, -0.0003377000000000, -0.0012303100000000 ] - [ 0.0001266400000000, -0.0001953300000000, -0.0002391200000000 ] - [ 0.0003285100000000, 0.0001271600000000, -0.0005725100000000 ] - [ 0.0002796800000000, 0.0006683400000000, 0.0005787900000000 ] - [ 0.0001306800000000, 0.0000301300000000, 0.0003806300000000 ] - [ -0.0003023200000000, -0.0013505000000000, -0.0000300300000000 ] - [ -0.0000847800000000, -0.0006230400000000, 0.0007282700000000 ] - [ -0.0004443300000000, -0.0016561700000000, 0.0000054900000000 ] - [ -0.0002927700000000, -0.0004335700000000, 0.0002967500000000 ] - [ 0.0001509800000000, -0.0009146000000000, 0.0009780800000000 ] - [ 0.0002876600000000, 0.0000277900000000, -0.0001309500000000 ] - [ -0.0010009700000000, -0.0005582900000000, 0.0025920200000000 ] - [ -0.0003711300000000, -0.0006659600000000, -0.0009046700000000 ] - [ 0.0022604400000000, 0.0008226000000000, -0.0013895200000000 ] - [ -0.0000724100000000, -0.0005081000000000, 0.0005204800000000 ] - [ 0.0002330800000000, -0.0003688700000000, 0.0001555900000000 ] - [ 0.0008631800000000, 0.0032025800000000, 0.0047762700000000 ] - [ -0.0000731000000000, -0.0005617500000000, 0.0000161700000000 ] - [ -0.0002729400000000, -0.0006001700000000, -0.0001307600000000 ] - [ 0.0001619900000000, -0.0001433600000000, 0.0009115000000000 ] - [ 0.0001741600000000, -0.0006777900000000, -0.0000324500000000 ] - [ -0.0000779100000000, -0.0004954400000000, -0.0003412600000000 ] - [ 0.0009242800000000, 0.0011248900000000, -0.0010193600000000 ] - [ 0.0004930700000000, 0.0009497400000000, -0.0003739900000000 ] - [ 0.0003905600000000, 0.0012535200000000, -0.0003110200000000 ] - [ 0.0002958500000000, 0.0003390100000000, 0.0000031900000000 ] - [ 0.0002616100000000, -0.0004830000000000, 0.0005207200000000 ] - [ -0.0001794300000000, -0.0001441400000000, -0.0001361300000000 ] - [ -0.0000592300000000, -0.0001614700000000, -0.0007772400000000 ] - [ -0.0001360600000000, -0.0011524600000000, -0.0004797500000000 ] - [ -0.0005808500000000, -0.0011230500000000, 0.0002605600000000 ] - [ -0.0000805400000000, -0.0002839400000000, 0.0001707800000000 ] - [ 0.0005882900000000, -0.0011916400000000, 0.0003938500000000 ] - [ 0.0010070200000000, -0.0001972300000000, -0.0009059900000000 ] - [ -0.0008161400000000, -0.0009002000000000, -0.0003734500000000 ] - [ -0.0000901400000000, -0.0004175000000000, -0.0001318500000000 ] - [ -0.0016330600000000, 0.0020486000000000, -0.0001944800000000 ] - [ -0.0000342300000000, 0.0001345800000000, 0.0005397500000000 ] - [ -0.0000310400000000, 0.0009065500000000, 0.0005427900000000 ] - [ 0.0000431300000000, -0.0026758300000000, -0.0002724100000000 ] - [ 0.0000326000000000, -0.0004817500000000, 0.0009788600000000 ] - [ 0.0004110000000000, -0.0017295800000000, 0.0001975100000000 ] - [ 0.0000415600000000, -0.0000611600000000, -0.0002752000000000 ] - [ -0.0009232100000000, 0.0002601500000000, -0.0003249200000000 ] - [ 0.0003154300000000, -0.0049740600000000, 0.0006387700000000 ] - [ 0.0003577400000000, -0.0011619500000000, 0.0010801800000000 ] - [ 0.0001709900000000, -0.0005091400000000, -0.0002124700000000 ] - [ 0.0003276900000000, -0.0013652900000000, -0.0003919800000000 ] - [ -0.0002862000000000, -0.0002312300000000, -0.0001231800000000 ] - [ 0.0001422700000000, -0.0009514900000000, 0.0003645000000000 ] - [ 0.0003871500000000, 0.0012069600000000, -0.0018985700000000 ] - [ -0.0002545800000000, -0.0000930100000000, -0.0008105200000000 ] - [ -0.0024650200000000, 0.0097712700000000, 0.0017993500000000 ] - [ 0.0005216700000000, 0.0002633100000000, -0.0014852300000000 ] - [ -0.0003958500000000, -0.0006454000000000, -0.0000742600000000 ] - [ -0.0000356400000000, -0.0004922600000000, 0.0003754500000000 ] - [ -0.0000700300000000, -0.0004256300000000, -0.0002702600000000 ] - [ -0.0000251500000000, -0.0003343000000000, 0.0010609400000000 ] - [ 0.0002580200000000, -0.0003629300000000, 0.0006564600000000 ] - [ 0.0003170900000000, 0.0011231500000000, -0.0003898300000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003789800000000, -0.0001975800000000, -0.0005621800000000 ] - [ 0.0005070800000000, -0.0005258200000000, -0.0000371600000000 ] - [ -0.0012066600000000, 0.0003354200000000, 0.0005342500000000 ] - [ 0.0001522300000000, -0.0000944600000000, -0.0003547900000000 ] - [ -0.0027233400000000, 0.0002459700000000, -0.0025484600000000 ] - [ -0.0027358300000000, 0.0037149700000000, -0.0011045600000000 ] - [ 0.0160247100000000, 0.0223574100000000, -0.0008969000000000 ] - [ -0.0000828000000000, 0.0002340700000000, 0.0008579300000000 ] - [ -0.0004150800000000, -0.0002575400000000, -0.0001007200000000 ] - [ 0.0006714700000000, 0.0005090400000000, 0.0000047000000000 ] - [ -0.0006012800000000, -0.0007300700000000, 0.0000736400000000 ] - [ -0.0002282300000000, -0.0000197600000000, 0.0001062900000000 ] - [ 0.0002332800000000, 0.0001218500000000, -0.0000375700000000 ] - [ 0.0001994700000000, 0.0002427300000000, 0.0004540200000000 ] - [ 0.0004755300000000, 0.0001358600000000, 0.0001189800000000 ] - [ 0.0003617800000000, -0.0001132800000000, -0.0005507700000000 ] - [ 0.0006037900000000, 0.0000273200000000, -0.0006839100000000 ] - [ 0.0005199100000000, -0.0007744400000000, -0.0000569500000000 ] - [ -0.0006764800000000, 0.0004686400000000, 0.0000268000000000 ] - [ -0.0003684200000000, -0.0000987200000000, -0.0004075800000000 ] - [ 0.0000273600000000, -0.0001686100000000, -0.0000306200000000 ] - [ -0.0000025600000000, -0.0001460300000000, 0.0003210700000000 ] - [ -0.0000156800000000, -0.0001451400000000, 0.0005649800000000 ] - [ 0.0000210000000000, -0.0001972000000000, 0.0005461700000000 ] - [ -0.0003896400000000, -0.0001961600000000, -0.0004014600000000 ] - [ 0.0025653300000000, 0.0037097200000000, 0.0010262900000000 ] - [ -0.0005379200000000, -0.0011601400000000, 0.0007857500000000 ] - [ -0.0000594000000000, -0.0001069200000000, 0.0000891000000000 ] - [ 0.0000853400000000, -0.0002743600000000, -0.0001014300000000 ] - [ -0.0000072500000000, -0.0002018900000000, 0.0002929200000000 ] - [ -0.0000170000000000, -0.0002163800000000, -0.0000004100000000 ] - [ 0.0000102700000000, 0.0000606800000000, -0.0007838500000000 ] - [ -0.0002877900000000, -0.0002584700000000, -0.0004651400000000 ] - [ 0.0020584800000000, 0.0002980300000000, 0.0002610400000000 ] - [ 0.0003634200000000, 0.0001061900000000, -0.0002789200000000 ] - [ -0.0013782600000000, 0.0011930600000000, -0.0019618400000000 ] - [ 0.0003922200000000, -0.0017223900000000, -0.0003521600000000 ] - [ 0.0002969500000000, 0.0000155000000000, -0.0002277600000000 ] - [ -0.0034223400000000, -0.0014956000000000, -0.0017235000000000 ] - [ -0.0001301500000000, 0.0001684800000000, -0.0010103000000000 ] - [ 0.0004016200000000, -0.0001751900000000, -0.0002697400000000 ] - [ -0.0004210700000000, 0.0005049800000000, -0.0004214100000000 ] - [ 0.0005060100000000, -0.0000920300000000, -0.0021329000000000 ] - [ 0.0743824900000000, 0.0323892600000000, -0.0494332700000000 ] - [ -0.0070499900000000, 0.0056656800000000, -0.0064240000000000 ] - [ 0.0039163000000000, 0.0027246900000000, 0.0051908800000000 ] - [ -0.0013728400000000, 0.0009595100000000, 0.0017655000000000 ] - [ -0.0003277600000000, -0.0001142200000000, -0.0003916700000000 ] - [ -0.0003652300000000, 0.0015964100000000, -0.0002126300000000 ] - [ 0.0007172500000000, -0.0014117000000000, 0.0000520300000000 ] - [ 0.0003573800000000, -0.0005101300000000, -0.0005374900000000 ] - [ 0.0007511200000000, 0.0005661900000000, 0.0000377000000000 ] - [ 0.0001681900000000, -0.0007349700000000, -0.0006414000000000 ] - [ 0.0001813600000000, -0.0009620300000000, -0.0002240700000000 ] - [ -0.0004943700000000, -0.0001935000000000, -0.0005574400000000 ] - [ -0.0002459500000000, 0.0013842700000000, -0.0004993900000000 ] - [ 0.0005031700000000, -0.0002876300000000, -0.0004608100000000 ] - [ -0.0004951500000000, -0.0003772700000000, -0.0006559600000000 ] - [ -0.0001868400000000, -0.0007979100000000, -0.0008907500000000 ] - [ 0.0004883000000000, -0.0002882800000000, -0.0005889900000000 ] - [ 0.0001560800000000, 0.0003356200000000, -0.0008895500000000 ] - [ -0.0007428800000000, -0.0013103800000000, 0.0000059800000000 ] - [ -0.0007474800000000, 0.0005298000000000, 0.0000733900000000 ] - [ -0.0019822800000000, -0.0044786200000000, -0.0028563100000000 ] - [ 0.0002711500000000, -0.0002849800000000, 0.0003939100000000 ] - [ 0.0001329100000000, -0.0001393100000000, 0.0010876300000000 ] - [ 0.0000373700000000, -0.0005363900000000, 0.0013116600000000 ] - [ -0.0004722600000000, -0.0010409300000000, 0.0002481600000000 ] - [ -0.1122721500000000, -0.0649561200000000, 0.0565052600000000 ] - [ 0.0031956700000000, -0.0007466200000000, -0.0009151400000000 ] - [ -0.0002520700000000, 0.0000370200000000, -0.0018729700000000 ] - [ -0.0002017300000000, 0.0017671000000000, 0.0000291600000000 ] - [ -0.0002625900000000, -0.0002796300000000, -0.0007570400000000 ] - [ 0.0003674500000000, -0.0001661900000000, -0.0000306500000000 ] - [ -0.0029932600000000, 0.0012314200000000, 0.0007485400000000 ] - [ 0.0002369100000000, -0.0001768900000000, -0.0000052000000000 ] - [ -0.0003028400000000, 0.0005853600000000, 0.0008286300000000 ] - [ 0.0169634800000000, 0.0009055600000000, 0.0015063400000000 ] - [ -0.0001543000000000, -0.0004964300000000, 0.0000449400000000 ] - [ 0.0015211800000000, -0.0005490200000000, 0.0000883000000000 ] - [ 0.0025233900000000, -0.0069055700000000, -0.0102847700000000 ] - [ -0.0000573600000000, -0.0001058500000000, 0.0000206500000000 ] - [ 0.0008768700000000, 0.0006411800000000, -0.0002590300000000 ] - [ 0.0005668200000000, 0.0006466200000000, 0.0002433200000000 ] - [ 0.0004561200000000, 0.0009889200000000, 0.0003795900000000 ] - [ 0.0002026500000000, 0.0002501100000000, 0.0002344200000000 ] - [ -0.0003610200000000, -0.0020894100000000, 0.0007017900000000 ] - [ -0.0016060200000000, 0.0003856800000000, 0.0022228800000000 ] - [ -0.0001995100000000, 0.0002010000000000, -0.0002571700000000 ] - [ -0.0003128000000000, -0.0009726100000000, -0.0002326600000000 ] - [ -0.0006416600000000, -0.0007964700000000, 0.0002325300000000 ] - [ -0.0000680700000000, 0.0005857600000000, 0.0001888900000000 ] - [ 0.0027355100000000, -0.0035006700000000, 0.0005736300000000 ] - [ 0.0008646300000000, -0.0005271700000000, -0.0002511200000000 ] - [ -0.0007789200000000, -0.0005938900000000, -0.0003038400000000 ] - [ -0.0002256300000000, 0.0004182800000000, -0.0003441100000000 ] - [ -0.0001372200000000, -0.0003856200000000, 0.0002977700000000 ] - [ -0.0002739700000000, -0.0000349000000000, 0.0008839000000000 ] - [ 0.0000795400000000, 0.0005709700000000, 0.0006241800000000 ] - [ -0.0002939200000000, 0.0009888300000000, -0.0000093100000000 ] - [ -0.0003690900000000, 0.0001882700000000, -0.0015213800000000 ] - [ 0.0019869200000000, 0.0104554900000000, 0.0051403300000000 ] - [ 0.0002035700000000, 0.0004414400000000, -0.0005482300000000 ] - [ -0.0009425900000000, 0.0005545600000000, -0.0002780300000000 ] - [ -0.0007616100000000, 0.0009575300000000, 0.0002955800000000 ] - [ 0.0004240500000000, 0.0015553400000000, -0.0002345300000000 ] - [ 0.0000551200000000, -0.0003722300000000, -0.0003447500000000 ] - [ 0.0005286100000000, -0.0004095500000000, -0.0004423200000000 ] - [ -0.0015005200000000, -0.0002465600000000, 0.0012134100000000 ] - [ 0.0092628300000000, -0.0021753400000000, 0.0033879000000000 ] - [ 0.0003350100000000, 0.0003461800000000, -0.0005903900000000 ] - [ -0.0002723000000000, 0.0003912000000000, -0.0008025100000000 ] - [ -0.0002948400000000, -0.0001606000000000, 0.0007254800000000 ] - [ 0.0003078500000000, -0.0002118200000000, -0.0005947000000000 ] - [ -0.0001275400000000, -0.0011324600000000, 0.0005308700000000 ] - [ 0.0017656500000000, 0.0002954800000000, 0.0013646000000000 ] - [ 0.0005552500000000, -0.0000242600000000, -0.0007019300000000 ] - [ -0.0007374100000000, -0.0000667200000000, 0.0010120200000000 ] - [ 0.0007172200000000, 0.0001268100000000, -0.0003366900000000 ] - [ -0.0001226800000000, -0.0013822400000000, 0.0004474000000000 ] - [ 0.0003950900000000, -0.0013389100000000, -0.0003813600000000 ] - [ -0.0002746400000000, -0.0003372000000000, 0.0003544000000000 ] - [ -0.0000779500000000, -0.0002205300000000, 0.0008902500000000 ] - [ -0.0004603400000000, -0.0006276900000000, 0.0005733600000000 ] - [ -0.0001249200000000, 0.0001501300000000, 0.0001082000000000 ] - [ 0.0000777700000000, -0.0002262800000000, 0.0008808000000000 ] - [ 0.0003179500000000, 0.0005937500000000, -0.0002083700000000 ] - [ -0.0004665500000000, 0.0009554700000000, 0.0003603700000000 ] - [ -0.0002737900000000, -0.0000981100000000, -0.0008001400000000 ] - [ 0.0006827700000000, -0.0007274300000000, -0.0002988500000000 ] - [ 0.0001701400000000, 0.0000641600000000, 0.0001577800000000 ] - [ 0.0001198100000000, 0.0001777000000000, 0.0001172800000000 ] - [ -0.0002988400000000, -0.0000383500000000, 0.0005577900000000 ] - [ -0.0001242900000000, -0.0001119100000000, -0.0001623000000000 ] - [ -0.0003238700000000, -0.0002943800000000, -0.0001586500000000 ] - [ 0.0000073200000000, 0.0000965500000000, 0.0009832700000000 ] - [ 0.0000776600000000, -0.0001900200000000, -0.0000984600000000 ] - [ -0.0001627600000000, 0.0001078500000000, 0.0001689300000000 ] - [ 0.0028999500000000, 0.0010611200000000, -0.0000804600000000 ] - [ 0.0006305000000000, 0.0010307200000000, 0.0003656300000000 ] - [ 0.0005008900000000, 0.0009998100000000, 0.0002094300000000 ] - [ 0.0003761500000000, 0.0004238000000000, 0.0000169200000000 ] - [ 0.0003036800000000, 0.0003178100000000, 0.0006409300000000 ] - [ -0.0000106500000000, 0.0000829400000000, -0.0001887100000000 ] - [ -0.0001878700000000, 0.0003473200000000, -0.0001481000000000 ] - [ -0.0000756700000000, -0.0001372700000000, -0.0000671800000000 ] - [ -0.0005538000000000, -0.0004521800000000, 0.0002256300000000 ] - [ 0.0001040000000000, 0.0005529500000000, 0.0001999400000000 ] - [ 0.0005606300000000, -0.0005480500000000, 0.0002438100000000 ] - [ -0.0004534700000000, 0.0000833600000000, 0.0000527700000000 ] - [ -0.0007645300000000, -0.0003903300000000, -0.0002522800000000 ] - [ -0.0003422300000000, 0.0003420600000000, -0.0001956300000000 ] - [ -0.0003963900000000, -0.0006734800000000, 0.0005970800000000 ] - [ 0.0001063400000000, 0.0004904500000000, 0.0008973800000000 ] - [ -0.0001002800000000, 0.0007058500000000, 0.0003872300000000 ] - [ -0.0004622800000000, 0.0006823300000000, 0.0001751300000000 ] - [ -0.0000296700000000, 0.0001122800000000, 0.0009636100000000 ] - [ 0.0004614500000000, -0.0007120400000000, 0.0005140800000000 ] - [ 0.0001058600000000, 0.0005427700000000, -0.0001960800000000 ] - [ -0.0009228700000000, 0.0007511500000000, -0.0002759500000000 ] - [ -0.0005864900000000, 0.0007154300000000, 0.0002270900000000 ] - [ 0.0002888100000000, -0.0000696600000000, 0.0005387100000000 ] - [ 0.0001163600000000, -0.0000912400000000, -0.0001377300000000 ] - [ 0.0003272900000000, -0.0002731000000000, -0.0001825400000000 ] - [ -0.0003132600000000, 0.0005848000000000, -0.0002034900000000 ] - [ 0.0001099000000000, -0.0003833600000000, 0.0002441400000000 ] - [ 0.0004556500000000, 0.0006486800000000, 0.0006308800000000 ] - [ -0.0003398300000000, 0.0004408800000000, -0.0007176100000000 ] - [ -0.0003124400000000, -0.0001987200000000, 0.0007010100000000 ] - [ 0.0003965500000000, -0.0006773300000000, -0.0006849800000000 ] - [ -0.0003365600000000, -0.0001705000000000, -0.0001045600000000 ] - [ -0.0001087600000000, 0.0004919000000000, -0.0001588400000000 ] - [ 0.0000168700000000, 0.0000925300000000, -0.0001973400000000 ] - [ -0.0000829200000000, 0.0004694000000000, 0.0008178400000000 ] - [ 0.0001438200000000, 0.0002741000000000, -0.0001245500000000 ] - [ 0.0002769200000000, 0.0007818400000000, 0.0002045500000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003593000000000, 0.0001008500000000, -0.0004216200000000 ] - [ 0.0007852900000000, -0.0007665600000000, 0.0000623800000000 ] - [ -0.0000856200000000, 0.0009477400000000, -0.0005224500000000 ] - [ -0.0008941100000000, 0.0001886700000000, -0.0006322400000000 ] - [ 0.0028035400000000, -0.0002815100000000, 0.0025715200000000 ] - [ 0.0027376200000000, -0.0037567500000000, 0.0017285000000000 ] - [ -0.0160374600000000, -0.0225912500000000, 0.0019068700000000 ] - [ 0.0000824700000000, -0.0002379600000000, 0.0002448000000000 ] - [ -0.0003178100000000, 0.0001702900000000, -0.0008864200000000 ] - [ 0.0006194600000000, 0.0007860700000000, 0.0000198600000000 ] - [ -0.0006908400000000, -0.0005599000000000, -0.0000502200000000 ] - [ 0.0001465300000000, 0.0000538400000000, -0.0001216200000000 ] - [ -0.0001554500000000, -0.0000942900000000, 0.0000225100000000 ] - [ -0.0001980800000000, -0.0002470700000000, 0.0001551800000000 ] - [ -0.0005547400000000, -0.0001677100000000, -0.0001316800000000 ] - [ 0.0003759700000000, 0.0002152800000000, -0.0004330300000000 ] - [ 0.0001328800000000, -0.0001286900000000, -0.0002978900000000 ] - [ 0.0007718100000000, -0.0005150900000000, 0.0000834600000000 ] - [ -0.0006141300000000, 0.0008265400000000, -0.0000020500000000 ] - [ -0.0003695500000000, 0.0002004700000000, -0.0005771200000000 ] - [ 0.0000519000000000, 0.0001455000000000, 0.0000159800000000 ] - [ 0.0000026900000000, 0.0001486300000000, 0.0002888500000000 ] - [ 0.0000157400000000, 0.0001476300000000, 0.0005412700000000 ] - [ -0.0000216400000000, 0.0002009000000000, 0.0005609100000000 ] - [ -0.0003484500000000, 0.0000999700000000, -0.0005834500000000 ] - [ -0.0012601400000000, -0.0024135300000000, -0.0009799600000000 ] - [ -0.0007530700000000, -0.0001274600000000, -0.0007654300000000 ] - [ -0.0000192100000000, 0.0001357400000000, -0.0001063200000000 ] - [ -0.0000064300000000, 0.0003047700000000, 0.0000885000000000 ] - [ 0.0000078200000000, 0.0002054900000000, 0.0003179000000000 ] - [ -0.0000624800000000, 0.0001936300000000, -0.0000141400000000 ] - [ 0.0007310900000000, 0.0000363600000000, -0.0001966600000000 ] - [ -0.0003346300000000, 0.0001364300000000, -0.0003942800000000 ] - [ -0.0005661700000000, -0.0021579900000000, -0.0002002200000000 ] - [ 0.0002598100000000, 0.0000180700000000, -0.0005874200000000 ] - [ 0.0029111900000000, 0.0006498000000000, 0.0020633800000000 ] - [ -0.0000408000000000, 0.0005182000000000, -0.0013784200000000 ] - [ 0.0003240900000000, -0.0001440200000000, -0.0006370900000000 ] - [ 0.0024827700000000, 0.0015007900000000, 0.0006246200000000 ] - [ -0.0002250600000000, 0.0010564100000000, -0.0007138900000000 ] - [ 0.0005551900000000, 0.0001763000000000, -0.0008461000000000 ] - [ -0.0005354900000000, -0.0005176800000000, -0.0006990900000000 ] - [ -0.0008619600000000, -0.0011263000000000, 0.0004167700000000 ] - [ -0.0769083000000000, -0.0347592000000000, 0.0512671400000000 ] - [ 0.0074852400000000, -0.0043822000000000, 0.0046052300000000 ] - [ -0.0054691000000000, -0.0045901000000000, -0.0051266700000000 ] - [ -0.0001094400000000, 0.0008892600000000, -0.0016821600000000 ] - [ -0.0002933300000000, 0.0002461300000000, -0.0004695700000000 ] - [ -0.0002569600000000, -0.0017392600000000, -0.0006337300000000 ] - [ 0.0007780800000000, -0.0004391500000000, 0.0000355500000000 ] - [ 0.0002633200000000, 0.0006458000000000, -0.0003209800000000 ] - [ 0.0007432600000000, 0.0012999800000000, 0.0000510600000000 ] - [ 0.0001861300000000, -0.0004761100000000, -0.0010892200000000 ] - [ 0.0004426300000000, 0.0008477400000000, -0.0006386100000000 ] - [ -0.0004611900000000, 0.0001942700000000, -0.0005557200000000 ] - [ -0.0001104300000000, -0.0001781700000000, -0.0012308600000000 ] - [ 0.0004530500000000, 0.0002929700000000, -0.0006541300000000 ] - [ -0.0004605000000000, 0.0003867200000000, -0.0004553800000000 ] - [ -0.0001673700000000, -0.0004172600000000, -0.0008358500000000 ] - [ 0.0004674400000000, 0.0002965100000000, -0.0005231000000000 ] - [ 0.0001988200000000, 0.0008871700000000, -0.0008360900000000 ] - [ -0.0007518300000000, -0.0005424100000000, 0.0000830100000000 ] - [ -0.0007473200000000, 0.0013367400000000, 0.0000135900000000 ] - [ 0.0013695800000000, 0.0046211600000000, 0.0020068400000000 ] - [ 0.0002834400000000, -0.0008631800000000, 0.0001278400000000 ] - [ -0.0006922200000000, -0.0009878500000000, -0.0005555400000000 ] - [ -0.0002212200000000, -0.0001543000000000, 0.0004420000000000 ] - [ -0.0004436700000000, -0.0007542800000000, 0.0006221200000000 ] - [ 0.1156779200000000, 0.0676216300000000, -0.0592591700000000 ] - [ -0.0030190300000000, 0.0000700200000000, 0.0026599000000000 ] - [ 0.0008853400000000, 0.0008145800000000, 0.0015006600000000 ] - [ -0.0007154300000000, 0.0000241500000000, 0.0008405500000000 ] - [ -0.0003821700000000, -0.0002778500000000, -0.0005306000000000 ] - [ 0.0003520000000000, -0.0004072100000000, -0.0001132000000000 ] - [ 0.0032454100000000, -0.0011578700000000, -0.0004659900000000 ] - [ 0.0000676300000000, 0.0002400300000000, 0.0002806700000000 ] - [ -0.0002943700000000, -0.0001858200000000, 0.0004553400000000 ] - [ -0.0174711700000000, -0.0013668400000000, -0.0017641200000000 ] - [ -0.0004741800000000, -0.0003548700000000, -0.0004204500000000 ] - [ -0.0015310700000000, 0.0005543100000000, 0.0018728100000000 ] - [ -0.0023744900000000, 0.0063305700000000, 0.0101912800000000 ] - [ -0.0002480900000000, 0.0000469200000000, 0.0002557900000000 ] - [ 0.0008659400000000, 0.0005179400000000, -0.0002515400000000 ] - [ 0.0005655300000000, 0.0006751900000000, 0.0002704000000000 ] - [ 0.0004599600000000, 0.0008106000000000, 0.0004862200000000 ] - [ 0.0005177900000000, 0.0003206900000000, -0.0003795600000000 ] - [ 0.0009458900000000, 0.0024688900000000, 0.0005739300000000 ] - [ 0.0016047200000000, -0.0003935400000000, -0.0026604900000000 ] - [ -0.0000526700000000, 0.0002119100000000, -0.0000216600000000 ] - [ 0.0001231000000000, 0.0002745500000000, -0.0000234400000000 ] - [ -0.0004948900000000, -0.0005252800000000, 0.0002825200000000 ] - [ 0.0003174200000000, 0.0004467600000000, 0.0004017200000000 ] - [ -0.0016330000000000, 0.0021916600000000, -0.0000723600000000 ] - [ 0.0008779200000000, -0.0006350500000000, -0.0002594200000000 ] - [ -0.0009644100000000, -0.0005656600000000, -0.0002053900000000 ] - [ -0.0004941900000000, 0.0001482400000000, 0.0002025600000000 ] - [ -0.0001105600000000, -0.0006529500000000, 0.0002915800000000 ] - [ 0.0004565000000000, 0.0007298000000000, 0.0008643000000000 ] - [ -0.0003312900000000, 0.0004646200000000, -0.0000374100000000 ] - [ -0.0002607500000000, 0.0001467400000000, 0.0005372400000000 ] - [ 0.0003571000000000, -0.0001882900000000, 0.0034996400000000 ] - [ -0.0010713800000000, -0.0124197100000000, -0.0043177900000000 ] - [ -0.0000139900000000, 0.0002622500000000, 0.0002893100000000 ] - [ -0.0007996900000000, 0.0006069200000000, -0.0002311200000000 ] - [ -0.0003699700000000, 0.0003604600000000, 0.0002165400000000 ] - [ 0.0001720800000000, -0.0019769100000000, 0.0015329100000000 ] - [ 0.0001961000000000, -0.0000369800000000, 0.0000676300000000 ] - [ 0.0000932100000000, -0.0004385100000000, 0.0000712900000000 ] - [ 0.0009150000000000, 0.0010906400000000, -0.0015861100000000 ] - [ -0.0089497900000000, 0.0010760500000000, -0.0027040200000000 ] - [ 0.0003074500000000, 0.0002088500000000, -0.0007006000000000 ] - [ -0.0003667500000000, 0.0001638900000000, -0.0004801900000000 ] - [ -0.0003026900000000, -0.0002468200000000, 0.0005603400000000 ] - [ 0.0003352300000000, -0.0003466800000000, -0.0006969600000000 ] - [ -0.0006178000000000, 0.0005786400000000, -0.0006803600000000 ] - [ -0.0019685000000000, 0.0004145200000000, -0.0016371700000000 ] - [ -0.0005455400000000, 0.0000240100000000, 0.0003213200000000 ] - [ 0.0005845600000000, 0.0007573500000000, 0.0007589400000000 ] - [ -0.0004687100000000, 0.0002863100000000, 0.0000539000000000 ] - [ 0.0006838800000000, 0.0025488100000000, 0.0000744000000000 ] - [ 0.0001583500000000, 0.0002068600000000, 0.0009100700000000 ] - [ -0.0002799400000000, -0.0008099900000000, 0.0001679600000000 ] - [ -0.0000995700000000, -0.0004776600000000, 0.0008618000000000 ] - [ -0.0004551800000000, -0.0011796500000000, 0.0002889300000000 ] - [ -0.0001803500000000, -0.0000929200000000, 0.0001675900000000 ] - [ 0.0000994700000000, -0.0004722200000000, 0.0008720500000000 ] - [ 0.0003055600000000, 0.0002539300000000, -0.0001641700000000 ] - [ -0.0004490700000000, 0.0008452100000000, 0.0005061100000000 ] - [ -0.0003694000000000, -0.0004615600000000, -0.0004898700000000 ] - [ 0.0000351300000000, 0.0001637700000000, 0.0001590700000000 ] - [ 0.0001347100000000, -0.0001254800000000, 0.0001173400000000 ] - [ 0.0001859600000000, -0.0001207400000000, 0.0001585500000000 ] - [ -0.0002979900000000, 0.0004471300000000, 0.0007312400000000 ] - [ -0.0001280900000000, -0.0003028600000000, -0.0001174000000000 ] - [ -0.0002996300000000, -0.0005597700000000, -0.0002144400000000 ] - [ -0.0000072000000000, -0.0000981700000000, 0.0009683400000000 ] - [ 0.0001134900000000, -0.0005181400000000, -0.0001667500000000 ] - [ -0.0001415100000000, -0.0001710000000000, 0.0001058300000000 ] - [ -0.0011736000000000, 0.0000934100000000, -0.0004352300000000 ] - [ 0.0005016800000000, 0.0002894800000000, 0.0001454900000000 ] - [ 0.0004158900000000, 0.0007968600000000, 0.0006564800000000 ] - [ 0.0003425700000000, 0.0001457100000000, -0.0001618500000000 ] - [ 0.0002937000000000, 0.0000848000000000, 0.0006452100000000 ] - [ 0.0000105400000000, -0.0000843600000000, -0.0001974200000000 ] - [ -0.0000643200000000, 0.0000626200000000, -0.0001321000000000 ] - [ -0.0001154000000000, -0.0005718800000000, -0.0001982400000000 ] - [ -0.0005784300000000, -0.0008745300000000, 0.0002881300000000 ] - [ 0.0001439000000000, 0.0004810800000000, 0.0003903800000000 ] - [ 0.0005716700000000, -0.0007772600000000, 0.0002698200000000 ] - [ 0.0022084500000000, -0.0012536900000000, -0.0005684400000000 ] - [ -0.0009789600000000, -0.0007727100000000, -0.0002585800000000 ] - [ -0.0003763800000000, 0.0002265000000000, 0.0000537000000000 ] - [ 0.0001506300000000, -0.0003593100000000, -0.0000137200000000 ] - [ 0.0000706400000000, 0.0002026600000000, 0.0008540200000000 ] - [ -0.0001473800000000, 0.0003281700000000, 0.0002003600000000 ] - [ -0.0000923200000000, 0.0004552300000000, 0.0003556200000000 ] - [ 0.0000299700000000, -0.0001145300000000, 0.0009888100000000 ] - [ 0.0004538000000000, -0.0010945200000000, 0.0003492300000000 ] - [ 0.0000847600000000, 0.0001581600000000, -0.0000671300000000 ] - [ -0.0008197100000000, 0.0004070300000000, -0.0002343000000000 ] - [ -0.0005458300000000, 0.0006063200000000, 0.0002870800000000 ] - [ 0.0003088200000000, -0.0003395700000000, 0.0007498000000000 ] - [ 0.0001362300000000, -0.0003236700000000, -0.0001420700000000 ] - [ 0.0002964700000000, -0.0005806600000000, -0.0001895000000000 ] - [ -0.0003102200000000, 0.0002629300000000, -0.0001690900000000 ] - [ 0.0001384400000000, -0.0006550600000000, 0.0003459800000000 ] - [ 0.0001870100000000, -0.0000885300000000, -0.0019405100000000 ] - [ -0.0003028100000000, 0.0001132400000000, -0.0005728100000000 ] - [ -0.0002850400000000, -0.0002065200000000, 0.0005849300000000 ] - [ 0.0002471300000000, 0.0001205800000000, -0.0006101900000000 ] - [ -0.0003828800000000, -0.0004027900000000, -0.0000388800000000 ] - [ -0.0000816300000000, 0.0002106600000000, -0.0001053400000000 ] - [ -0.0000171300000000, -0.0000946000000000, -0.0001878900000000 ] - [ -0.0000942800000000, 0.0002238900000000, 0.0009353500000000 ] - [ 0.0001085600000000, 0.0001375000000000, -0.0001554100000000 ] - [ 0.0002777000000000, 0.0003574500000000, 0.0003203000000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003103100000000, -0.0008256400000000, -0.0006648800000000 ] - [ 0.0005732200000000, -0.0009060400000000, -0.0004926400000000 ] - [ -0.0003656800000000, 0.0021970600000000, 0.0015958800000000 ] - [ -0.0002309300000000, -0.0008678000000000, 0.0004035500000000 ] - [ -0.0005619700000000, 0.0025829300000000, -0.0016960600000000 ] - [ 0.0007641600000000, 0.0023491800000000, 0.0005038100000000 ] - [ 0.0238313500000000, 0.1301087500000000, 0.0039957000000000 ] - [ -0.0001227100000000, 0.0008174500000000, 0.0005344800000000 ] - [ -0.0005481000000000, -0.0015616100000000, 0.0004800300000000 ] - [ 0.0007455000000000, 0.0000170300000000, -0.0000018900000000 ] - [ -0.0005388500000000, -0.0011529400000000, 0.0003224000000000 ] - [ 0.0001029000000000, -0.0009845400000000, 0.0004549500000000 ] - [ 0.0002086700000000, -0.0001505000000000, -0.0004970300000000 ] - [ 0.0000603900000000, 0.0008386100000000, 0.0002765100000000 ] - [ -0.0000767400000000, 0.0018595500000000, 0.0012332500000000 ] - [ 0.0004055600000000, -0.0007974000000000, -0.0006889600000000 ] - [ 0.0004844800000000, 0.0002030700000000, -0.0013478600000000 ] - [ 0.0005176300000000, -0.0013545800000000, -0.0002700000000000 ] - [ -0.0007553800000000, -0.0000356700000000, 0.0000621600000000 ] - [ -0.0004167100000000, -0.0005258200000000, -0.0003210200000000 ] - [ -0.0000154800000000, -0.0007112700000000, -0.0000821800000000 ] - [ 0.0000129000000000, -0.0006077800000000, 0.0003558600000000 ] - [ -0.0000730300000000, -0.0006081400000000, 0.0005916900000000 ] - [ 0.0001045800000000, -0.0008247400000000, 0.0005212900000000 ] - [ -0.0003570300000000, -0.0006437800000000, -0.0003083800000000 ] - [ 0.0012997100000000, 0.0061688100000000, 0.0038125000000000 ] - [ -0.0005809000000000, -0.0015201300000000, 0.0012780800000000 ] - [ -0.0000726600000000, -0.0005469000000000, 0.0003986800000000 ] - [ 0.0001189100000000, -0.0009135200000000, -0.0003074700000000 ] - [ -0.0000554000000000, -0.0008036300000000, 0.0002583000000000 ] - [ 0.0000326800000000, -0.0007943500000000, 0.0000024400000000 ] - [ -0.0000172500000000, 0.0002251900000000, -0.0013485300000000 ] - [ -0.0002197800000000, -0.0010957400000000, -0.0007632700000000 ] - [ 0.0025112600000000, 0.0029715300000000, 0.0036784500000000 ] - [ 0.0001422400000000, 0.0005941000000000, 0.0007881000000000 ] - [ -0.0017542400000000, 0.0051293300000000, -0.0026657700000000 ] - [ 0.0006431800000000, -0.0037213200000000, 0.0001958300000000 ] - [ 0.0003548100000000, 0.0000730400000000, 0.0008639100000000 ] - [ -0.0042494300000000, -0.0024341400000000, -0.0025838700000000 ] - [ -0.0000224600000000, -0.0010340800000000, -0.0013052700000000 ] - [ 0.0003865300000000, -0.0002545800000000, -0.0001942100000000 ] - [ -0.0004226600000000, 0.0023565400000000, -0.0001510500000000 ] - [ 0.0001963700000000, -0.0020919700000000, -0.0014604500000000 ] - [ 0.0343873600000000, 0.0479030900000000, -0.0310712300000000 ] - [ -0.0004167000000000, 0.0062824500000000, 0.0002675400000000 ] - [ 0.0002166900000000, 0.0006498900000000, -0.0050143200000000 ] - [ -0.0024174800000000, 0.0028673900000000, 0.0025096100000000 ] - [ -0.0004460400000000, -0.0011338100000000, -0.0004638900000000 ] - [ -0.0001962400000000, -0.0021188800000000, -0.0008028300000000 ] - [ 0.0006627300000000, -0.0028000600000000, 0.0001062900000000 ] - [ 0.0005607500000000, -0.0018881300000000, -0.0002872000000000 ] - [ 0.0007927600000000, -0.0006249500000000, -0.0000148900000000 ] - [ 0.0001799200000000, -0.0013916500000000, -0.0003616400000000 ] - [ -0.0000803900000000, -0.0025697400000000, 0.0001571800000000 ] - [ -0.0004804600000000, -0.0008852600000000, -0.0005280200000000 ] - [ -0.0005614400000000, 0.0029695200000000, -0.0003755400000000 ] - [ 0.0004202500000000, -0.0016889100000000, -0.0001319400000000 ] - [ -0.0005426400000000, -0.0015483700000000, -0.0009023600000000 ] - [ -0.0002436100000000, -0.0012526400000000, -0.0008920600000000 ] - [ 0.0005378100000000, -0.0012598200000000, -0.0007671200000000 ] - [ 0.0000878000000000, -0.0005790200000000, -0.0010738500000000 ] - [ -0.0007424600000000, -0.0024120200000000, -0.0001549000000000 ] - [ -0.0007554500000000, -0.0007574600000000, 0.0002341900000000 ] - [ -0.0015754300000000, -0.0063823200000000, -0.0053549900000000 ] - [ 0.0002540800000000, 0.0005949000000000, 0.0007538400000000 ] - [ -0.0000144900000000, -0.0054798800000000, -0.0018894500000000 ] - [ 0.0002083700000000, -0.0016777000000000, 0.0011917000000000 ] - [ -0.0004601000000000, -0.0022329500000000, -0.0004850600000000 ] - [ -0.0666488500000000, -0.1913759200000000, 0.0167423600000000 ] - [ 0.0027259400000000, -0.0021440800000000, -0.0013498800000000 ] - [ 0.0002491700000000, -0.0031856800000000, -0.0000757900000000 ] - [ -0.0001154700000000, 0.0031032900000000, -0.0006829400000000 ] - [ -0.0001876000000000, -0.0000845600000000, -0.0015763000000000 ] - [ 0.0003425400000000, 0.0002141400000000, 0.0000141200000000 ] - [ 0.0014068900000000, -0.0086854700000000, 0.0001727800000000 ] - [ 0.0003613700000000, -0.0009022900000000, 0.0002386400000000 ] - [ -0.0003482300000000, 0.0013757100000000, 0.0010388800000000 ] - [ 0.0032894500000000, -0.0056764600000000, 0.0051842400000000 ] - [ -0.0000917800000000, -0.0002847900000000, 0.0005100400000000 ] - [ -0.0005900700000000, -0.0005724000000000, 0.0020236600000000 ] - [ -0.0083260200000000, -0.0035004300000000, 0.0096711400000000 ] - [ -0.0000753500000000, -0.0001446600000000, 0.0001053000000000 ] - [ 0.0008292200000000, 0.0009221900000000, -0.0002311500000000 ] - [ 0.0006166800000000, 0.0010565200000000, 0.0003799900000000 ] - [ 0.0004116000000000, 0.0012439400000000, 0.0004221800000000 ] - [ 0.0004792900000000, 0.0007943800000000, 0.0004125500000000 ] - [ 0.0006050400000000, -0.0000207900000000, 0.0009896500000000 ] - [ 0.0001134700000000, -0.0000577900000000, 0.0053463500000000 ] - [ -0.0001242100000000, 0.0001316800000000, -0.0001677000000000 ] - [ -0.0005094200000000, -0.0018241100000000, -0.0006743300000000 ] - [ -0.0004901900000000, -0.0008205600000000, -0.0003414300000000 ] - [ -0.0001593600000000, 0.0011516200000000, 0.0000366200000000 ] - [ -0.0016733900000000, 0.0004636200000000, 0.0006730500000000 ] - [ 0.0009266700000000, -0.0002546800000000, -0.0001813500000000 ] - [ -0.0008774500000000, -0.0006487800000000, -0.0005424800000000 ] - [ -0.0001047400000000, 0.0009414600000000, -0.0006554600000000 ] - [ -0.0001190500000000, 0.0000478700000000, 0.0002468500000000 ] - [ -0.0003700400000000, -0.0001491000000000, 0.0016577600000000 ] - [ 0.0000777200000000, 0.0012430900000000, 0.0007940800000000 ] - [ -0.0003265700000000, 0.0020668200000000, -0.0005900300000000 ] - [ 0.0004580200000000, -0.0001540200000000, -0.0038042600000000 ] - [ 0.0112033100000000, 0.0233546900000000, 0.0058499900000000 ] - [ 0.0002974100000000, 0.0001810000000000, -0.0008404100000000 ] - [ -0.0008807400000000, 0.0004405600000000, -0.0005654800000000 ] - [ -0.0007776600000000, 0.0015570800000000, 0.0003054900000000 ] - [ 0.0003559800000000, 0.0038493300000000, -0.0012389600000000 ] - [ 0.0001672100000000, -0.0008705600000000, -0.0000580200000000 ] - [ 0.0005340300000000, -0.0008524000000000, -0.0007382800000000 ] - [ 0.0002147700000000, -0.0034702800000000, 0.0001022300000000 ] - [ 0.0044541500000000, 0.0010934000000000, -0.0019393300000000 ] - [ 0.0004017400000000, 0.0006808300000000, -0.0004483900000000 ] - [ -0.0003115500000000, 0.0002774500000000, -0.0019078900000000 ] - [ -0.0002533200000000, 0.0006107200000000, 0.0004624100000000 ] - [ 0.0002637100000000, 0.0001126300000000, -0.0003733300000000 ] - [ -0.0007441500000000, -0.0000841500000000, -0.0028632000000000 ] - [ 0.0015490400000000, 0.0000778600000000, 0.0021522100000000 ] - [ 0.0002855000000000, -0.0007846400000000, -0.0011005500000000 ] - [ -0.0025859800000000, 0.0006343200000000, -0.0025341900000000 ] - [ 0.0007426600000000, 0.0004147300000000, -0.0002296400000000 ] - [ 0.0002171900000000, 0.0006789700000000, 0.0005516000000000 ] - [ 0.0003855600000000, -0.0031435500000000, -0.0010457300000000 ] - [ -0.0002664800000000, 0.0004010900000000, 0.0006650600000000 ] - [ -0.0000424000000000, 0.0001866400000000, 0.0009307900000000 ] - [ -0.0004905900000000, 0.0002268400000000, 0.0009041400000000 ] - [ -0.0000305700000000, 0.0005389700000000, 0.0000308900000000 ] - [ 0.0000402600000000, 0.0001724000000000, 0.0008760600000000 ] - [ 0.0003382600000000, 0.0010962700000000, -0.0002631800000000 ] - [ -0.0004870700000000, 0.0012920500000000, -0.0000288800000000 ] - [ -0.0002219500000000, 0.0002319200000000, -0.0009766800000000 ] - [ 0.0007322700000000, -0.0012737800000000, 0.0003566000000000 ] - [ 0.0002476500000000, 0.0003693800000000, 0.0002111600000000 ] - [ 0.0000030700000000, 0.0006465900000000, 0.0000354500000000 ] - [ -0.0002956300000000, -0.0004736600000000, 0.0002968300000000 ] - [ -0.0001264200000000, 0.0001956500000000, -0.0002060200000000 ] - [ -0.0002937600000000, 0.0002462400000000, -0.0000349200000000 ] - [ -0.0000013600000000, 0.0003948100000000, 0.0010209500000000 ] - [ 0.0000240700000000, 0.0003275000000000, 0.0000288600000000 ] - [ -0.0002922100000000, 0.0006474300000000, 0.0002892300000000 ] - [ 0.0028937500000000, 0.0014594900000000, 0.0002428800000000 ] - [ 0.0006567100000000, 0.0015822800000000, 0.0007018300000000 ] - [ 0.0004110500000000, 0.0020493900000000, -0.0000413700000000 ] - [ 0.0005107800000000, 0.0006795400000000, 0.0002513200000000 ] - [ 0.0003272400000000, 0.0007714800000000, 0.0007595400000000 ] - [ 0.0000166000000000, 0.0003440400000000, -0.0001572100000000 ] - [ -0.0001957000000000, 0.0007706100000000, -0.0000935300000000 ] - [ -0.0000143800000000, 0.0005109500000000, 0.0001016200000000 ] - [ -0.0005215700000000, 0.0000793800000000, 0.0001215200000000 ] - [ 0.0001710800000000, 0.0007643100000000, 0.0001568700000000 ] - [ 0.0005435700000000, -0.0001040900000000, 0.0002088400000000 ] - [ -0.0002453300000000, 0.0003997700000000, 0.0004295100000000 ] - [ -0.0007466300000000, 0.0000114900000000, -0.0002895600000000 ] - [ -0.0003904600000000, 0.0005886600000000, -0.0003705300000000 ] - [ -0.0001913300000000, -0.0015279300000000, 0.0005995700000000 ] - [ 0.0001656000000000, 0.0009076400000000, 0.0009753500000000 ] - [ -0.0001769000000000, 0.0009517600000000, 0.0006068400000000 ] - [ -0.0003374700000000, 0.0010934600000000, -0.0007607100000000 ] - [ -0.0000722400000000, 0.0004501700000000, 0.0009229900000000 ] - [ 0.0004796300000000, -0.0000197100000000, 0.0008388100000000 ] - [ 0.0001659800000000, 0.0012280900000000, -0.0004165300000000 ] - [ -0.0009014700000000, 0.0011700000000000, -0.0003555300000000 ] - [ -0.0005638100000000, 0.0008681600000000, 0.0001004400000000 ] - [ 0.0002634700000000, 0.0004389000000000, 0.0004246400000000 ] - [ 0.0001029200000000, 0.0002589900000000, -0.0001616000000000 ] - [ 0.0003267700000000, 0.0002348800000000, -0.0001782000000000 ] - [ -0.0003270000000000, 0.0011023900000000, -0.0002722600000000 ] - [ 0.0000730200000000, -0.0000019200000000, 0.0001471400000000 ] - [ 0.0002595100000000, 0.0003463500000000, 0.0016814200000000 ] - [ -0.0003984800000000, 0.0008172500000000, -0.0008118400000000 ] - [ -0.0003195500000000, -0.0002731200000000, 0.0007039700000000 ] - [ 0.0002659500000000, 0.0002747000000000, 0.0002974000000000 ] - [ -0.0002850400000000, 0.0001569400000000, -0.0001399000000000 ] - [ -0.0001632500000000, 0.0009639900000000, -0.0002231200000000 ] - [ 0.0000367400000000, 0.0003904600000000, -0.0002270700000000 ] - [ -0.0000925500000000, 0.0008493700000000, 0.0006879100000000 ] - [ 0.0001570200000000, 0.0004891200000000, -0.0000991500000000 ] - [ 0.0002789800000000, 0.0013614300000000, 0.0000675600000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004280100000000, 0.0007229100000000, -0.0003216700000000 ] - [ 0.0007175900000000, -0.0003835700000000, 0.0005131100000000 ] - [ -0.0009263100000000, -0.0009024800000000, -0.0015565200000000 ] - [ -0.0005096100000000, 0.0009569900000000, -0.0013907200000000 ] - [ 0.0006273400000000, -0.0026124400000000, 0.0016593100000000 ] - [ -0.0007734200000000, -0.0023104500000000, 0.0001028400000000 ] - [ -0.0222570600000000, -0.1235474000000000, -0.0029136500000000 ] - [ 0.0001214000000000, -0.0008125200000000, 0.0005723700000000 ] - [ -0.0001863400000000, 0.0014387600000000, -0.0014624400000000 ] - [ 0.0005465000000000, 0.0012732800000000, 0.0000259700000000 ] - [ -0.0007529200000000, -0.0001438800000000, -0.0002980700000000 ] - [ -0.0001829000000000, 0.0010116600000000, -0.0004634200000000 ] - [ -0.0001280600000000, 0.0001810100000000, 0.0004774500000000 ] - [ -0.0000591400000000, -0.0008332900000000, 0.0003345500000000 ] - [ 0.0000018200000000, -0.0018840900000000, -0.0012410400000000 ] - [ 0.0003322600000000, 0.0008921300000000, -0.0002975200000000 ] - [ 0.0002500200000000, -0.0003068900000000, 0.0003662700000000 ] - [ 0.0007735700000000, 0.0000601500000000, 0.0002951100000000 ] - [ -0.0005363600000000, 0.0013250600000000, -0.0000365300000000 ] - [ -0.0003215100000000, 0.0006233700000000, -0.0006609100000000 ] - [ 0.0000942500000000, 0.0006827000000000, 0.0000664900000000 ] - [ -0.0000125000000000, 0.0006050600000000, 0.0002540600000000 ] - [ 0.0000723700000000, 0.0006052200000000, 0.0005145900000000 ] - [ -0.0001043800000000, 0.0008220500000000, 0.0005854800000000 ] - [ -0.0003816000000000, 0.0005436900000000, -0.0006738100000000 ] - [ 0.0000056800000000, -0.0048645600000000, -0.0039415200000000 ] - [ -0.0007099000000000, 0.0002227900000000, -0.0012303900000000 ] - [ -0.0000065900000000, 0.0005689500000000, -0.0004143100000000 ] - [ -0.0000396500000000, 0.0009389000000000, 0.0002938300000000 ] - [ 0.0000554200000000, 0.0008011100000000, 0.0003520700000000 ] - [ -0.0001114900000000, 0.0007648100000000, -0.0000163400000000 ] - [ 0.0007607600000000, -0.0001289300000000, 0.0003674400000000 ] - [ -0.0004022100000000, 0.0009684600000000, -0.0000998300000000 ] - [ -0.0010126500000000, -0.0047866600000000, -0.0035932200000000 ] - [ 0.0004804800000000, -0.0004768800000000, -0.0016373700000000 ] - [ 0.0032475000000000, -0.0032386500000000, 0.0027393200000000 ] - [ -0.0002913400000000, 0.0025118300000000, -0.0019281600000000 ] - [ 0.0002666500000000, -0.0002080000000000, -0.0017165300000000 ] - [ 0.0032175300000000, 0.0024202800000000, 0.0014215600000000 ] - [ -0.0003312600000000, 0.0022441700000000, -0.0004236400000000 ] - [ 0.0005689400000000, 0.0002575900000000, -0.0009175400000000 ] - [ -0.0005338400000000, -0.0023518900000000, -0.0009643900000000 ] - [ -0.0005385900000000, 0.0008704500000000, -0.0002832100000000 ] - [ -0.0344499300000000, -0.0479181300000000, 0.0306639400000000 ] - [ 0.0007288800000000, -0.0050613100000000, -0.0019842700000000 ] - [ -0.0016982100000000, -0.0024614300000000, 0.0051300800000000 ] - [ 0.0009196800000000, -0.0009853900000000, -0.0024293600000000 ] - [ -0.0001757200000000, 0.0012592100000000, -0.0003984000000000 ] - [ -0.0004228100000000, 0.0019575200000000, -0.0000663600000000 ] - [ 0.0008323900000000, 0.0009355900000000, -0.0000193300000000 ] - [ 0.0000628100000000, 0.0020055400000000, -0.0005714100000000 ] - [ 0.0007017300000000, 0.0024787700000000, 0.0001046300000000 ] - [ 0.0001743200000000, 0.0001778200000000, -0.0013639500000000 ] - [ 0.0006984300000000, 0.0024281100000000, -0.0010101700000000 ] - [ -0.0004743700000000, 0.0008756800000000, -0.0005824800000000 ] - [ 0.0002072200000000, -0.0017487400000000, -0.0013488600000000 ] - [ 0.0005349800000000, 0.0016806700000000, -0.0009815600000000 ] - [ -0.0004136400000000, 0.0015452400000000, -0.0002121700000000 ] - [ -0.0001113200000000, 0.0000295100000000, -0.0008314700000000 ] - [ 0.0004182500000000, 0.0012584500000000, -0.0003460800000000 ] - [ 0.0002663900000000, 0.0017931600000000, -0.0006528700000000 ] - [ -0.0007520000000000, 0.0005473400000000, 0.0002433900000000 ] - [ -0.0007397300000000, 0.0026099900000000, -0.0001466900000000 ] - [ 0.0009450800000000, 0.0064638700000000, 0.0044734900000000 ] - [ 0.0002999100000000, -0.0017339500000000, -0.0002272600000000 ] - [ -0.0005339200000000, 0.0043123600000000, 0.0024064300000000 ] - [ -0.0003853200000000, 0.0009739900000000, 0.0005609700000000 ] - [ -0.0004565100000000, 0.0004307600000000, 0.0013468100000000 ] - [ 0.0659330200000000, 0.1854603500000000, -0.0169560900000000 ] - [ -0.0025289500000000, 0.0014329400000000, 0.0031016500000000 ] - [ 0.0003719600000000, 0.0040162400000000, -0.0003080300000000 ] - [ -0.0007926900000000, -0.0012767000000000, 0.0015399400000000 ] - [ -0.0004523600000000, -0.0004685800000000, 0.0002802000000000 ] - [ 0.0003772800000000, -0.0007834900000000, -0.0001565000000000 ] - [ -0.0009832300000000, 0.0087099900000000, 0.0001125000000000 ] - [ -0.0000558000000000, 0.0009573500000000, 0.0000356400000000 ] - [ -0.0002487400000000, -0.0009636700000000, 0.0002507200000000 ] - [ -0.0034513100000000, 0.0052568800000000, -0.0054669800000000 ] - [ -0.0005327800000000, -0.0005706900000000, -0.0008777800000000 ] - [ 0.0005905400000000, 0.0005639100000000, -0.0000704200000000 ] - [ 0.0084609800000000, 0.0028001000000000, -0.0099128600000000 ] - [ -0.0002280000000000, 0.0000821500000000, 0.0001688700000000 ] - [ 0.0009134300000000, 0.0002386600000000, -0.0002788900000000 ] - [ 0.0005159300000000, 0.0002657800000000, 0.0001344900000000 ] - [ 0.0005047700000000, 0.0005550700000000, 0.0004446200000000 ] - [ 0.0002412900000000, -0.0002216100000000, -0.0005487500000000 ] - [ -0.0000062700000000, 0.0004514300000000, 0.0003106900000000 ] - [ -0.0001184500000000, 0.0000478500000000, -0.0056903900000000 ] - [ -0.0001285900000000, 0.0002784200000000, -0.0001128200000000 ] - [ 0.0003168900000000, 0.0011105600000000, 0.0004117600000000 ] - [ -0.0006390700000000, -0.0004996600000000, 0.0008506400000000 ] - [ 0.0004125100000000, -0.0001134800000000, 0.0005571700000000 ] - [ 0.0027985700000000, -0.0017661600000000, -0.0001665100000000 ] - [ 0.0008161500000000, -0.0009063600000000, -0.0003283300000000 ] - [ -0.0008656400000000, -0.0005093400000000, 0.0000302700000000 ] - [ -0.0006181600000000, -0.0003709900000000, 0.0005171800000000 ] - [ -0.0001296100000000, -0.0010819500000000, 0.0003429900000000 ] - [ 0.0005460100000000, 0.0008380400000000, 0.0000975600000000 ] - [ -0.0003225600000000, -0.0002029600000000, -0.0001979500000000 ] - [ -0.0002280100000000, -0.0009226900000000, 0.0011154500000000 ] - [ -0.0004592200000000, 0.0001500100000000, 0.0057258500000000 ] - [ -0.0105949600000000, -0.0257176000000000, -0.0050363400000000 ] - [ -0.0001073300000000, 0.0005196900000000, 0.0005730300000000 ] - [ -0.0008618500000000, 0.0007220700000000, 0.0000529300000000 ] - [ -0.0003589200000000, -0.0002293600000000, 0.0002072300000000 ] - [ 0.0002343800000000, -0.0042897600000000, 0.0025639000000000 ] - [ 0.0000852500000000, 0.0004556800000000, -0.0002236000000000 ] - [ 0.0000926500000000, -0.0000117500000000, 0.0003599100000000 ] - [ -0.0008267400000000, 0.0042866400000000, -0.0004491600000000 ] - [ -0.0041501100000000, -0.0021188500000000, 0.0025231400000000 ] - [ 0.0002411600000000, -0.0001235500000000, -0.0008398200000000 ] - [ -0.0003324200000000, 0.0002840900000000, 0.0006096800000000 ] - [ -0.0003440100000000, -0.0010134700000000, 0.0008235100000000 ] - [ 0.0003790300000000, -0.0006690700000000, -0.0009145400000000 ] - [ 0.0000450200000000, -0.0004860700000000, 0.0027466600000000 ] - [ -0.0017160600000000, 0.0006178800000000, -0.0023881200000000 ] - [ -0.0002830600000000, 0.0007758600000000, 0.0007126000000000 ] - [ 0.0023837700000000, 0.0000560300000000, 0.0042636800000000 ] - [ -0.0004724100000000, -0.0000068200000000, -0.0000568900000000 ] - [ 0.0003353800000000, 0.0004490800000000, -0.0000214200000000 ] - [ 0.0001683300000000, 0.0019935400000000, 0.0015686900000000 ] - [ -0.0002876200000000, -0.0015410100000000, -0.0001396000000000 ] - [ -0.0001344600000000, -0.0008810900000000, 0.0008212300000000 ] - [ -0.0004258500000000, -0.0020252200000000, -0.0000381000000000 ] - [ -0.0002733500000000, -0.0004786600000000, 0.0002436500000000 ] - [ 0.0001364000000000, -0.0008671900000000, 0.0008770300000000 ] - [ 0.0002855600000000, -0.0002434400000000, -0.0001102000000000 ] - [ -0.0004292000000000, 0.0005157500000000, 0.0008889500000000 ] - [ -0.0004200100000000, -0.0007874700000000, -0.0003184600000000 ] - [ -0.0000136800000000, 0.0007047000000000, -0.0005009800000000 ] - [ 0.0000577300000000, -0.0004264400000000, 0.0000638400000000 ] - [ 0.0003011300000000, -0.0005856300000000, 0.0002392200000000 ] - [ -0.0003020200000000, 0.0008800700000000, 0.0009876200000000 ] - [ -0.0001266600000000, -0.0006076900000000, -0.0000744200000000 ] - [ -0.0003294600000000, -0.0010955700000000, -0.0003374800000000 ] - [ 0.0000014300000000, -0.0003936000000000, 0.0009307400000000 ] - [ 0.0001663800000000, -0.0010306100000000, -0.0002928800000000 ] - [ -0.0000131200000000, -0.0007049600000000, -0.0000136800000000 ] - [ -0.0011973800000000, -0.0002952900000000, -0.0007562000000000 ] - [ 0.0004769500000000, -0.0002523700000000, -0.0001874600000000 ] - [ 0.0005063300000000, -0.0002419900000000, 0.0009073300000000 ] - [ 0.0002083700000000, -0.0001087000000000, -0.0003964200000000 ] - [ 0.0002701200000000, -0.0003660800000000, 0.0005266700000000 ] - [ -0.0000164500000000, -0.0003429800000000, -0.0002290700000000 ] - [ -0.0000564100000000, -0.0003570800000000, -0.0001857900000000 ] - [ -0.0001760100000000, -0.0012136100000000, -0.0003648400000000 ] - [ -0.0006102100000000, -0.0013997200000000, 0.0003908300000000 ] - [ 0.0000776500000000, 0.0002695600000000, 0.0004315400000000 ] - [ 0.0005885800000000, -0.0012176500000000, 0.0003046500000000 ] - [ 0.0020212200000000, -0.0015671400000000, -0.0009430200000000 ] - [ -0.0009949000000000, -0.0011699100000000, -0.0002220200000000 ] - [ -0.0003281600000000, -0.0000194700000000, 0.0002247100000000 ] - [ -0.0000587700000000, 0.0004947200000000, -0.0000066200000000 ] - [ 0.0000115500000000, -0.0002103900000000, 0.0007761600000000 ] - [ -0.0000715400000000, 0.0000839000000000, -0.0000185400000000 ] - [ -0.0002163100000000, 0.0000449800000000, 0.0012839700000000 ] - [ 0.0000723600000000, -0.0004492000000000, 0.0010296000000000 ] - [ 0.0004362500000000, -0.0017810200000000, 0.0000273600000000 ] - [ 0.0000251700000000, -0.0005209300000000, 0.0001520200000000 ] - [ -0.0008426200000000, -0.0000062000000000, -0.0001558900000000 ] - [ -0.0005685800000000, 0.0004598700000000, 0.0004126900000000 ] - [ 0.0003336200000000, -0.0008444800000000, 0.0008619200000000 ] - [ 0.0001498800000000, -0.0006703900000000, -0.0001185000000000 ] - [ 0.0002967400000000, -0.0010833300000000, -0.0001932400000000 ] - [ -0.0002967400000000, -0.0002495800000000, -0.0001007700000000 ] - [ 0.0001752200000000, -0.0010324100000000, 0.0004416800000000 ] - [ 0.0003866600000000, 0.0002170900000000, -0.0030064300000000 ] - [ -0.0002449500000000, -0.0002583700000000, -0.0004813000000000 ] - [ -0.0002774800000000, -0.0001290300000000, 0.0005785800000000 ] - [ 0.0003769200000000, -0.0008276000000000, -0.0015905500000000 ] - [ -0.0004338100000000, -0.0007267300000000, -0.0000047100000000 ] - [ -0.0000276800000000, -0.0002558100000000, -0.0000423800000000 ] - [ -0.0000370100000000, -0.0003896700000000, -0.0001582300000000 ] - [ -0.0000848500000000, -0.0001518000000000, 0.0010649100000000 ] - [ 0.0000957400000000, -0.0000746200000000, -0.0001812800000000 ] - [ 0.0002752400000000, -0.0002155800000000, 0.0004551300000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003369100000000, -0.0000390100000000, -0.0004663300000000 ] - [ 0.0006581900000000, -0.0010419800000000, -0.0001911800000000 ] - [ -0.0004964400000000, 0.0005850900000000, -0.0021529000000000 ] - [ -0.0000516500000000, 0.0017182700000000, -0.0004635500000000 ] - [ 0.0001069800000000, -0.0009121700000000, 0.0018332900000000 ] - [ 0.0006459900000000, -0.0012418200000000, 0.0032123500000000 ] - [ -0.0026341800000000, 0.0015996700000000, 0.0085657700000000 ] - [ -0.0000296300000000, -0.0001507100000000, -0.0005025000000000 ] - [ -0.0004840000000000, 0.0020175300000000, -0.0007357300000000 ] - [ 0.0006280000000000, 0.0007511100000000, -0.0000138900000000 ] - [ -0.0006603500000000, -0.0002923500000000, -0.0001103400000000 ] - [ -0.0002533600000000, 0.0009886200000000, 0.0001580700000000 ] - [ -0.0001091700000000, -0.0004815300000000, -0.0002672200000000 ] - [ 0.0001383000000000, -0.0001688300000000, -0.0009887300000000 ] - [ -0.0002229200000000, -0.0003039000000000, -0.0020152500000000 ] - [ 0.0003721500000000, 0.0001021300000000, -0.0004674500000000 ] - [ 0.0002113700000000, -0.0005100600000000, -0.0008940700000000 ] - [ 0.0007060800000000, -0.0007989600000000, 0.0001540900000000 ] - [ -0.0006233200000000, 0.0007847100000000, 0.0000320200000000 ] - [ -0.0003521800000000, 0.0002735400000000, -0.0005243800000000 ] - [ 0.0000422800000000, 0.0001147600000000, -0.0000204800000000 ] - [ -0.0000024700000000, 0.0001272500000000, 0.0002398100000000 ] - [ 0.0000167200000000, 0.0001254100000000, 0.0005072800000000 ] - [ -0.0000188200000000, 0.0001442100000000, 0.0006025700000000 ] - [ -0.0004051500000000, 0.0001958000000000, -0.0005311300000000 ] - [ -0.0001415800000000, 0.0005695300000000, 0.0054561300000000 ] - [ -0.0006932000000000, 0.0001164400000000, 0.0000139500000000 ] - [ 0.0000051700000000, 0.0003144400000000, -0.0001568700000000 ] - [ 0.0000629500000000, -0.0000245600000000, 0.0001014200000000 ] - [ 0.0000131700000000, 0.0001323900000000, 0.0003732700000000 ] - [ -0.0000614800000000, 0.0001328700000000, 0.0000159000000000 ] - [ 0.0006470700000000, -0.0004613000000000, -0.0007441100000000 ] - [ -0.0003558900000000, 0.0000851700000000, -0.0005958500000000 ] - [ 0.0009095900000000, 0.0047312300000000, -0.0037196500000000 ] - [ 0.0004190100000000, 0.0003497300000000, -0.0021100900000000 ] - [ 0.0003733000000000, -0.0013335600000000, -0.0000955900000000 ] - [ 0.0001707900000000, -0.0002118300000000, -0.0005938900000000 ] - [ 0.0002773400000000, 0.0004192900000000, -0.0023287600000000 ] - [ 0.0010252800000000, -0.0005530100000000, 0.0004902400000000 ] - [ -0.0002058800000000, 0.0008938300000000, -0.0007350000000000 ] - [ 0.0005827200000000, 0.0007704200000000, -0.0013211300000000 ] - [ -0.0006422600000000, -0.0016483800000000, -0.0030257700000000 ] - [ -0.0004541600000000, -0.0015453600000000, 0.0004204600000000 ] - [ -0.0475363200000000, -0.0277295600000000, 0.0605702700000000 ] - [ 0.0007834900000000, 0.0001692100000000, 0.0038332600000000 ] - [ -0.0020434000000000, -0.0048447000000000, -0.0048721700000000 ] - [ 0.0002115700000000, 0.0016346800000000, -0.0015023000000000 ] - [ -0.0002869800000000, 0.0001614900000000, -0.0007675000000000 ] - [ -0.0006634900000000, -0.0036504400000000, 0.0033901500000000 ] - [ 0.0007594300000000, -0.0004708600000000, 0.0000414200000000 ] - [ 0.0002521000000000, 0.0005853500000000, -0.0000664600000000 ] - [ 0.0007630600000000, 0.0011174500000000, -0.0000233600000000 ] - [ 0.0001596700000000, 0.0002044400000000, -0.0016074700000000 ] - [ 0.0003440200000000, 0.0004685200000000, -0.0002887400000000 ] - [ -0.0005286000000000, 0.0002537000000000, -0.0008302600000000 ] - [ -0.0005642800000000, -0.0007665800000000, -0.0026172800000000 ] - [ 0.0004636400000000, 0.0003124200000000, -0.0003798400000000 ] - [ -0.0004620500000000, 0.0002907200000000, -0.0004477800000000 ] - [ -0.0001675200000000, -0.0004952900000000, -0.0011742000000000 ] - [ 0.0004712300000000, 0.0002298500000000, -0.0005648300000000 ] - [ 0.0001911300000000, 0.0008418400000000, -0.0008750800000000 ] - [ -0.0007499700000000, -0.0007748400000000, 0.0000610800000000 ] - [ -0.0007248400000000, 0.0013276900000000, 0.0000690200000000 ] - [ 0.0003654500000000, -0.0000066500000000, 0.0005624300000000 ] - [ 0.0002778900000000, -0.0007757800000000, 0.0001672400000000 ] - [ -0.0003487000000000, 0.0006500300000000, 0.0007503000000000 ] - [ -0.0001605100000000, -0.0001007900000000, 0.0017950100000000 ] - [ -0.0003869500000000, -0.0001136200000000, 0.0015735400000000 ] - [ 0.0586227000000000, 0.0177229700000000, -0.0712049600000000 ] - [ -0.0017908100000000, -0.0003504000000000, 0.0013944900000000 ] - [ 0.0006626600000000, 0.0010754900000000, 0.0011086400000000 ] - [ -0.0005129400000000, 0.0006849100000000, 0.0004086600000000 ] - [ -0.0004063200000000, -0.0007063100000000, 0.0001437400000000 ] - [ 0.0003593300000000, -0.0003604000000000, -0.0000967800000000 ] - [ -0.0004436600000000, 0.0000078000000000, -0.0045797000000000 ] - [ 0.0002949200000000, 0.0001313100000000, 0.0008848600000000 ] - [ -0.0002899500000000, -0.0000040900000000, 0.0004990900000000 ] - [ -0.0016715200000000, 0.0045210600000000, -0.0109221300000000 ] - [ -0.0002049100000000, 0.0003086600000000, -0.0001424900000000 ] - [ -0.0008014600000000, 0.0007022700000000, 0.0019031800000000 ] - [ -0.0051291100000000, 0.0047290500000000, 0.0056423600000000 ] - [ -0.0002699200000000, 0.0000020500000000, 0.0005175300000000 ] - [ 0.0008680000000000, 0.0005299400000000, -0.0001987100000000 ] - [ 0.0005673900000000, 0.0007815100000000, 0.0003952100000000 ] - [ 0.0004348000000000, 0.0007085100000000, 0.0007057900000000 ] - [ 0.0004679400000000, 0.0004906900000000, -0.0003700700000000 ] - [ 0.0001103300000000, -0.0013419800000000, -0.0022569300000000 ] - [ 0.0009418600000000, 0.0014671300000000, 0.0005574400000000 ] - [ 0.0000511500000000, 0.0001933600000000, 0.0003555400000000 ] - [ -0.0003002900000000, 0.0001918100000000, 0.0019507200000000 ] - [ -0.0006893800000000, -0.0011926900000000, 0.0012024100000000 ] - [ 0.0000158100000000, 0.0002830800000000, 0.0001596300000000 ] - [ -0.0047368200000000, 0.0060322200000000, -0.0023673600000000 ] - [ 0.0008644500000000, -0.0006068800000000, -0.0001949200000000 ] - [ -0.0008435400000000, -0.0006728600000000, 0.0001342900000000 ] - [ -0.0002863700000000, 0.0001221000000000, -0.0001820800000000 ] - [ -0.0001142900000000, -0.0005991800000000, 0.0002904100000000 ] - [ 0.0002238300000000, 0.0010466900000000, 0.0017149800000000 ] - [ -0.0004261400000000, 0.0006131800000000, 0.0000077600000000 ] - [ -0.0002658400000000, 0.0001983900000000, 0.0003888800000000 ] - [ -0.0010841800000000, -0.0011079100000000, 0.0039689200000000 ] - [ 0.0041238200000000, 0.0020878300000000, -0.0062313000000000 ] - [ 0.0000465300000000, -0.0003404700000000, 0.0009004300000000 ] - [ -0.0008324800000000, 0.0004451800000000, 0.0002095900000000 ] - [ -0.0005597800000000, 0.0002636700000000, 0.0000711300000000 ] - [ 0.0003703500000000, -0.0000306100000000, -0.0002074800000000 ] - [ -0.0001533000000000, -0.0000276500000000, 0.0009432500000000 ] - [ 0.0002450000000000, -0.0011558200000000, -0.0001191600000000 ] - [ 0.0068995000000000, -0.0048661100000000, 0.0054880600000000 ] - [ -0.0057232000000000, -0.0029074400000000, 0.0017103400000000 ] - [ 0.0003086100000000, 0.0002518400000000, -0.0006352100000000 ] - [ -0.0002843300000000, -0.0002361600000000, 0.0006426000000000 ] - [ -0.0002912900000000, -0.0000585900000000, 0.0004106600000000 ] - [ 0.0003202600000000, -0.0002500500000000, -0.0005699300000000 ] - [ 0.0003746100000000, -0.0029228200000000, 0.0017469800000000 ] - [ -0.0008396500000000, 0.0014465300000000, -0.0014232600000000 ] - [ 0.0011501300000000, -0.0009641000000000, 0.0008500200000000 ] - [ 0.0015002000000000, -0.0014168800000000, 0.0008667700000000 ] - [ 0.0000781400000000, 0.0002905100000000, -0.0006396400000000 ] - [ 0.0004141700000000, 0.0024893400000000, -0.0000416400000000 ] - [ -0.0000402400000000, 0.0001631900000000, 0.0013543100000000 ] - [ -0.0002822400000000, -0.0007598600000000, 0.0001951100000000 ] - [ -0.0000903300000000, -0.0004128500000000, 0.0008327000000000 ] - [ -0.0004639500000000, -0.0010955600000000, 0.0002770900000000 ] - [ -0.0001821400000000, -0.0000765500000000, 0.0001806700000000 ] - [ 0.0001042100000000, -0.0004728400000000, 0.0009073900000000 ] - [ 0.0003068500000000, 0.0003202300000000, -0.0001699300000000 ] - [ -0.0004393200000000, 0.0006699300000000, 0.0009135700000000 ] - [ -0.0003546200000000, -0.0004916300000000, -0.0007080600000000 ] - [ 0.0004746800000000, 0.0004952400000000, 0.0013362100000000 ] - [ 0.0001324300000000, -0.0001036700000000, 0.0002081700000000 ] - [ 0.0001732800000000, -0.0000720300000000, 0.0001324100000000 ] - [ -0.0003290400000000, 0.0009197100000000, 0.0017370800000000 ] - [ -0.0001156500000000, -0.0002881900000000, -0.0000916400000000 ] - [ -0.0002972900000000, -0.0004307700000000, -0.0001746900000000 ] - [ -0.0000002900000000, -0.0000433500000000, 0.0009674700000000 ] - [ 0.0001131600000000, -0.0004392000000000, -0.0001179100000000 ] - [ -0.0001209800000000, -0.0001814700000000, 0.0000209900000000 ] - [ -0.0007507700000000, 0.0010867200000000, -0.0008874900000000 ] - [ 0.0004680900000000, 0.0008766900000000, 0.0000859500000000 ] - [ 0.0005428200000000, 0.0007670200000000, 0.0000567300000000 ] - [ 0.0004285100000000, 0.0003509300000000, 0.0000593100000000 ] - [ 0.0002914200000000, 0.0001014700000000, 0.0006984000000000 ] - [ -0.0000075100000000, -0.0000373500000000, -0.0001773700000000 ] - [ -0.0001323300000000, 0.0001054800000000, -0.0002957800000000 ] - [ -0.0001058900000000, -0.0005525200000000, -0.0002194800000000 ] - [ -0.0005754700000000, -0.0008345800000000, 0.0002477800000000 ] - [ 0.0000672700000000, 0.0003020900000000, 0.0004273000000000 ] - [ 0.0005717700000000, -0.0007379400000000, 0.0002981200000000 ] - [ 0.0013148800000000, -0.0006119600000000, -0.0007733300000000 ] - [ -0.0009043100000000, -0.0007331900000000, -0.0003291100000000 ] - [ -0.0002998900000000, 0.0000006900000000, 0.0001630000000000 ] - [ 0.0002496700000000, -0.0004487500000000, 0.0000746600000000 ] - [ 0.0000797900000000, 0.0002984600000000, 0.0008306600000000 ] - [ -0.0002065900000000, 0.0005601700000000, 0.0004090100000000 ] - [ -0.0002028300000000, -0.0003657400000000, 0.0010055100000000 ] - [ 0.0000115700000000, -0.0001090000000000, 0.0009858500000000 ] - [ 0.0004437600000000, -0.0010767400000000, 0.0004177100000000 ] - [ 0.0000803000000000, 0.0002383100000000, -0.0001556200000000 ] - [ -0.0008929900000000, 0.0004505000000000, -0.0003046600000000 ] - [ -0.0005728000000000, 0.0003056500000000, 0.0004393300000000 ] - [ 0.0003155700000000, -0.0005530200000000, 0.0009335300000000 ] - [ 0.0001417300000000, -0.0002846300000000, -0.0001733200000000 ] - [ 0.0003228200000000, -0.0006454900000000, -0.0002214100000000 ] - [ -0.0003086800000000, 0.0002840400000000, -0.0001724500000000 ] - [ 0.0001454500000000, -0.0006386400000000, 0.0003383800000000 ] - [ 0.0001996200000000, 0.0005314500000000, -0.0015706100000000 ] - [ -0.0003012800000000, 0.0001234300000000, -0.0006577500000000 ] - [ -0.0003007200000000, -0.0002927500000000, 0.0010431300000000 ] - [ 0.0002157700000000, 0.0007171200000000, -0.0003057200000000 ] - [ -0.0003791900000000, -0.0003834300000000, -0.0000445600000000 ] - [ -0.0000826900000000, 0.0001803300000000, -0.0000326200000000 ] - [ -0.0000153100000000, -0.0000968800000000, -0.0002042700000000 ] - [ -0.0000826900000000, 0.0002083800000000, 0.0009362800000000 ] - [ 0.0001226900000000, 0.0001449400000000, -0.0000223800000000 ] - [ 0.0002845300000000, 0.0005263700000000, 0.0003044400000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004015100000000, -0.0000599000000000, -0.0005179100000000 ] - [ 0.0006327700000000, -0.0002489300000000, 0.0002166200000000 ] - [ -0.0007957100000000, 0.0007053800000000, 0.0021838800000000 ] - [ -0.0006809200000000, -0.0016139900000000, -0.0005208000000000 ] - [ -0.0000215000000000, 0.0008936000000000, -0.0018580900000000 ] - [ -0.0006488400000000, 0.0012493300000000, -0.0026079700000000 ] - [ 0.0025853000000000, -0.0022700800000000, -0.0077081300000000 ] - [ 0.0000296000000000, 0.0001503400000000, 0.0016129200000000 ] - [ -0.0002549000000000, -0.0021249800000000, -0.0002468600000000 ] - [ 0.0006630600000000, 0.0005416000000000, 0.0000383100000000 ] - [ -0.0006308400000000, -0.0009999000000000, 0.0001352200000000 ] - [ 0.0001739300000000, -0.0009640700000000, -0.0001737600000000 ] - [ 0.0001885300000000, 0.0005092900000000, 0.0002527300000000 ] - [ -0.0001391900000000, 0.0001679900000000, 0.0016050600000000 ] - [ 0.0001456200000000, 0.0002737100000000, 0.0019966300000000 ] - [ 0.0003656600000000, -0.0000023800000000, -0.0005168000000000 ] - [ 0.0005263200000000, 0.0004056700000000, -0.0000868800000000 ] - [ 0.0005847700000000, -0.0004921400000000, -0.0001299100000000 ] - [ -0.0006675400000000, 0.0005077300000000, -0.0000077000000000 ] - [ -0.0003860900000000, -0.0001748300000000, -0.0004599600000000 ] - [ 0.0000367700000000, -0.0001406400000000, 0.0000057500000000 ] - [ 0.0000025900000000, -0.0001270300000000, 0.0003708300000000 ] - [ -0.0000169700000000, -0.0001252800000000, 0.0005992900000000 ] - [ 0.0000186300000000, -0.0001439200000000, 0.0005040000000000 ] - [ -0.0003326300000000, -0.0002955300000000, -0.0004533900000000 ] - [ 0.0014937400000000, 0.0004864800000000, -0.0059007400000000 ] - [ -0.0005972500000000, -0.0014111800000000, 0.0000073800000000 ] - [ -0.0000840500000000, -0.0002882600000000, 0.0001424700000000 ] - [ 0.0000159700000000, 0.0000518700000000, -0.0001163100000000 ] - [ -0.0000128600000000, -0.0001321300000000, 0.0002371400000000 ] - [ -0.0000176800000000, -0.0001587500000000, -0.0000307200000000 ] - [ 0.0000903900000000, 0.0005621600000000, -0.0002392300000000 ] - [ -0.0002656300000000, -0.0002119100000000, -0.0002636700000000 ] - [ 0.0005722800000000, -0.0066386700000000, 0.0038167100000000 ] - [ 0.0002022100000000, -0.0002234600000000, 0.0012530900000000 ] - [ 0.0011227300000000, 0.0031900900000000, 0.0001888700000000 ] - [ 0.0001848100000000, -0.0010049100000000, -0.0011323700000000 ] - [ 0.0003443000000000, -0.0005480400000000, 0.0014698800000000 ] - [ -0.0019812700000000, 0.0005641900000000, -0.0016041600000000 ] - [ -0.0001487500000000, 0.0003244200000000, -0.0009914100000000 ] - [ 0.0003727200000000, -0.0007763000000000, 0.0002106000000000 ] - [ -0.0003171300000000, 0.0016583500000000, 0.0019213700000000 ] - [ 0.0001001800000000, 0.0003303200000000, -0.0021481700000000 ] - [ 0.0467711400000000, 0.0266947400000000, -0.0611095500000000 ] - [ -0.0004548500000000, 0.0010295200000000, -0.0055381600000000 ] - [ 0.0005435100000000, 0.0029956200000000, 0.0049512300000000 ] - [ -0.0017046300000000, 0.0002248700000000, 0.0015905600000000 ] - [ -0.0003347800000000, -0.0000340300000000, -0.0000917100000000 ] - [ 0.0000465800000000, 0.0035354800000000, -0.0042639900000000 ] - [ 0.0007354800000000, -0.0013885700000000, 0.0000466700000000 ] - [ 0.0003696900000000, -0.0004577700000000, -0.0007946400000000 ] - [ 0.0007314800000000, 0.0007428200000000, 0.0001117400000000 ] - [ 0.0001948500000000, -0.0014237900000000, -0.0001175800000000 ] - [ 0.0002784200000000, -0.0005927000000000, -0.0005738000000000 ] - [ -0.0004269100000000, -0.0002561800000000, -0.0002822900000000 ] - [ 0.0002260200000000, 0.0019944300000000, 0.0008918300000000 ] - [ 0.0004919800000000, -0.0003139300000000, -0.0007343800000000 ] - [ -0.0004937900000000, -0.0002874800000000, -0.0006654600000000 ] - [ -0.0001869500000000, -0.0007219200000000, -0.0005518200000000 ] - [ 0.0004846300000000, -0.0002267700000000, -0.0005482300000000 ] - [ 0.0001633900000000, 0.0003758200000000, -0.0008514700000000 ] - [ -0.0007447900000000, -0.0010834100000000, 0.0000268400000000 ] - [ -0.0007700800000000, 0.0005318000000000, 0.0000187400000000 ] - [ -0.0009906100000000, 0.0001238900000000, -0.0014348300000000 ] - [ 0.0002767300000000, -0.0003672000000000, 0.0003561500000000 ] - [ -0.0001995000000000, -0.0017970600000000, -0.0002299800000000 ] - [ -0.0000175700000000, -0.0005935500000000, -0.0000468200000000 ] - [ -0.0005289800000000, -0.0016904200000000, -0.0007119900000000 ] - [ -0.0571080600000000, -0.0159822600000000, 0.0716735700000000 ] - [ 0.0019726700000000, -0.0003366400000000, 0.0003580400000000 ] - [ -0.0000417000000000, -0.0002329300000000, -0.0014971000000000 ] - [ -0.0004022500000000, 0.0011156900000000, 0.0004580500000000 ] - [ -0.0002337400000000, 0.0001494100000000, -0.0014363000000000 ] - [ 0.0003600900000000, -0.0002108500000000, -0.0000471100000000 ] - [ 0.0007706000000000, 0.0000685900000000, 0.0049142500000000 ] - [ 0.0000086100000000, -0.0000719300000000, -0.0006120100000000 ] - [ -0.0003073300000000, 0.0004083700000000, 0.0007870100000000 ] - [ 0.0014319500000000, -0.0048931000000000, 0.0105983400000000 ] - [ -0.0004185100000000, -0.0011611100000000, -0.0002315600000000 ] - [ 0.0008004800000000, -0.0007040100000000, 0.0000485300000000 ] - [ 0.0051957000000000, -0.0053570100000000, -0.0058842500000000 ] - [ -0.0000344400000000, -0.0000613600000000, -0.0002435600000000 ] - [ 0.0008747300000000, 0.0006306700000000, -0.0003124000000000 ] - [ 0.0005650100000000, 0.0005411600000000, 0.0001177500000000 ] - [ 0.0004808900000000, 0.0010943100000000, 0.0001579300000000 ] - [ 0.0002516700000000, 0.0000799300000000, 0.0002271300000000 ] - [ 0.0004900200000000, 0.0017589300000000, 0.0035621200000000 ] - [ -0.0009368400000000, -0.0014448600000000, -0.0009584000000000 ] - [ -0.0003041300000000, 0.0002203600000000, -0.0006373400000000 ] - [ 0.0001145600000000, -0.0008967400000000, -0.0022285500000000 ] - [ -0.0004403100000000, -0.0001295500000000, -0.0006901700000000 ] - [ 0.0002307900000000, 0.0007536800000000, 0.0004293700000000 ] - [ 0.0059275400000000, -0.0074157600000000, 0.0028967500000000 ] - [ 0.0008783100000000, -0.0005538300000000, -0.0003160300000000 ] - [ -0.0008995600000000, -0.0004871800000000, -0.0006454100000000 ] - [ -0.0004319000000000, 0.0004484800000000, 0.0000374900000000 ] - [ -0.0001333200000000, -0.0004371100000000, 0.0002982700000000 ] - [ -0.0000461600000000, -0.0003547400000000, 0.0000334900000000 ] - [ 0.0001783800000000, 0.0004227500000000, 0.0005812600000000 ] - [ -0.0002893900000000, 0.0009440800000000, 0.0001343100000000 ] - [ 0.0010945400000000, 0.0011242200000000, -0.0020285400000000 ] - [ -0.0031930300000000, -0.0039000300000000, 0.0071008900000000 ] - [ 0.0001433200000000, 0.0010483100000000, -0.0011683100000000 ] - [ -0.0009104300000000, 0.0007156100000000, -0.0007206900000000 ] - [ -0.0005720200000000, 0.0010591400000000, 0.0004425000000000 ] - [ 0.0002275700000000, -0.0003716700000000, 0.0014977500000000 ] - [ 0.0004080100000000, -0.0003867200000000, -0.0012276100000000 ] - [ 0.0003786400000000, 0.0003113400000000, -0.0002514900000000 ] - [ -0.0076431000000000, 0.0057929900000000, -0.0059472000000000 ] - [ 0.0059842600000000, 0.0018724100000000, -0.0011151500000000 ] - [ 0.0003341700000000, 0.0003049400000000, -0.0006562000000000 ] - [ -0.0003607100000000, 0.0007941100000000, -0.0019356000000000 ] - [ -0.0003061100000000, -0.0003474100000000, 0.0008760400000000 ] - [ 0.0003226200000000, -0.0003073200000000, -0.0007224400000000 ] - [ -0.0010724000000000, 0.0023026900000000, -0.0018547800000000 ] - [ 0.0006394200000000, -0.0007484700000000, 0.0011535400000000 ] - [ -0.0011644700000000, 0.0009752400000000, -0.0012413300000000 ] - [ -0.0016773100000000, 0.0021264500000000, 0.0009028400000000 ] - [ 0.0001729200000000, 0.0001240400000000, 0.0003608300000000 ] - [ 0.0001423900000000, -0.0013435000000000, 0.0005666100000000 ] - [ 0.0005934300000000, -0.0013091100000000, -0.0008348400000000 ] - [ -0.0002724000000000, -0.0003827700000000, 0.0003287100000000 ] - [ -0.0000870300000000, -0.0002831300000000, 0.0009196400000000 ] - [ -0.0004513100000000, -0.0007075400000000, 0.0005874300000000 ] - [ -0.0001224200000000, 0.0001360300000000, 0.0000944400000000 ] - [ 0.0000727300000000, -0.0002232900000000, 0.0008449600000000 ] - [ 0.0003167600000000, 0.0005303000000000, -0.0002033500000000 ] - [ -0.0004763300000000, 0.0011326300000000, -0.0000496800000000 ] - [ -0.0002882100000000, -0.0000654300000000, -0.0005828300000000 ] - [ 0.0002401400000000, -0.0010695500000000, -0.0014894300000000 ] - [ 0.0001724900000000, 0.0000438300000000, 0.0000667900000000 ] - [ 0.0001316800000000, 0.0001316100000000, 0.0001430300000000 ] - [ -0.0002701600000000, -0.0005144500000000, -0.0004508900000000 ] - [ -0.0001372100000000, -0.0001247700000000, -0.0001885500000000 ] - [ -0.0003263100000000, -0.0004210100000000, -0.0001982600000000 ] - [ 0.0000003900000000, 0.0000433300000000, 0.0009839800000000 ] - [ 0.0000777300000000, -0.0002660700000000, -0.0001468400000000 ] - [ -0.0001837800000000, 0.0001215600000000, 0.0002547500000000 ] - [ 0.0025056700000000, 0.0000709000000000, 0.0003786000000000 ] - [ 0.0006649200000000, 0.0004439700000000, 0.0004264600000000 ] - [ 0.0003718900000000, 0.0010341900000000, 0.0008109400000000 ] - [ 0.0002903700000000, 0.0002191500000000, -0.0002040300000000 ] - [ 0.0003059900000000, 0.0003036300000000, 0.0005877500000000 ] - [ 0.0000074200000000, 0.0000373400000000, -0.0002089800000000 ] - [ -0.0001203300000000, 0.0003073300000000, 0.0000162000000000 ] - [ -0.0000849300000000, -0.0001525500000000, -0.0000448800000000 ] - [ -0.0005567300000000, -0.0004889600000000, 0.0002656400000000 ] - [ 0.0001810700000000, 0.0007344400000000, 0.0001617500000000 ] - [ 0.0005605200000000, -0.0005851500000000, 0.0002150200000000 ] - [ 0.0004287400000000, -0.0005538100000000, 0.0002639000000000 ] - [ -0.0008384200000000, -0.0004271900000000, -0.0001814800000000 ] - [ -0.0004193700000000, 0.0005710800000000, -0.0003074600000000 ] - [ -0.0005206000000000, -0.0005773300000000, 0.0005552800000000 ] - [ 0.0000974400000000, 0.0003967200000000, 0.0009212100000000 ] - [ -0.0000406600000000, 0.0004755800000000, 0.0001790100000000 ] - [ -0.0003523500000000, 0.0015112100000000, -0.0004824100000000 ] - [ -0.0000117000000000, 0.0001088300000000, 0.0009657900000000 ] - [ 0.0004713000000000, -0.0007261700000000, 0.0004467000000000 ] - [ 0.0001106600000000, 0.0004661000000000, -0.0001086700000000 ] - [ -0.0008497900000000, 0.0007100600000000, -0.0002055100000000 ] - [ -0.0005596000000000, 0.0010179000000000, 0.0000735800000000 ] - [ 0.0002817500000000, 0.0001486000000000, 0.0003522900000000 ] - [ 0.0001108000000000, -0.0001284700000000, -0.0001064400000000 ] - [ 0.0003010200000000, -0.0002053400000000, -0.0001511200000000 ] - [ -0.0003149000000000, 0.0005667000000000, -0.0002010000000000 ] - [ 0.0001023200000000, -0.0003974100000000, 0.0002506300000000 ] - [ 0.0004578000000000, 0.0000404400000000, 0.0002664900000000 ] - [ -0.0003418000000000, 0.0004334500000000, -0.0006334200000000 ] - [ -0.0002963500000000, -0.0001124000000000, 0.0002419300000000 ] - [ 0.0004269200000000, -0.0012803500000000, -0.0009925500000000 ] - [ -0.0003400500000000, -0.0001877200000000, -0.0000994800000000 ] - [ -0.0001080500000000, 0.0005246900000000, -0.0002321500000000 ] - [ 0.0000153000000000, 0.0000966600000000, -0.0001815600000000 ] - [ -0.0000944600000000, 0.0004872300000000, 0.0008155000000000 ] - [ 0.0001299500000000, 0.0002678800000000, -0.0002579300000000 ] - [ 0.0002703700000000, 0.0006152200000000, 0.0002192900000000 ]- atom: 71 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003741700000000, -0.0000495100000000, -0.0004735900000000 ] - [ 0.0006415600000000, 0.0000137900000000, 0.0001146600000000 ] - [ 0.0477260300000000, 0.0251854300000000, -0.0135919100000000 ] - [ 0.0004848200000000, 0.0015996000000000, -0.0010150000000000 ] - [ 0.0000113100000000, 0.0000027800000000, -0.0000564900000000 ] - [ -0.0006472300000000, 0.0002297500000000, -0.0002074100000000 ] - [ 0.0003974100000000, 0.0001727800000000, 0.0015226800000000 ] - [ -0.0006546100000000, 0.0015419100000000, 0.0014684900000000 ] - [ -0.0004524800000000, -0.0010185300000000, -0.0002675500000000 ] - [ 0.0006504600000000, 0.0006142000000000, 0.0000140200000000 ] - [ -0.0005923100000000, -0.0006718000000000, -0.0000164800000000 ] - [ -0.0000730600000000, 0.0000549300000000, -0.0000257300000000 ] - [ -0.0003971700000000, -0.0006016200000000, 0.0001288600000000 ] - [ -0.0001817200000000, -0.0014289600000000, -0.0014379100000000 ] - [ 0.0171303600000000, -0.0085508200000000, 0.0054232700000000 ] - [ 0.0003697700000000, 0.0000174200000000, -0.0004890600000000 ] - [ 0.0004037600000000, 0.0000157200000000, -0.0004523800000000 ] - [ 0.0006243800000000, -0.0006392100000000, 0.0000467600000000 ] - [ -0.0006503400000000, 0.0006227500000000, 0.0000115400000000 ] - [ -0.0003706700000000, 0.0000174100000000, -0.0004988400000000 ] - [ 0.0000359300000000, -0.0000495200000000, -0.0000069400000000 ] - [ -0.0000023100000000, -0.0000366400000000, 0.0003103600000000 ] - [ -0.0000026600000000, -0.0000363800000000, 0.0005575300000000 ] - [ 0.0000021100000000, -0.0000153800000000, 0.0005553600000000 ] - [ -0.0003682600000000, -0.0000770100000000, -0.0004963000000000 ] - [ 0.0006598200000000, 0.0006602900000000, -0.0000241900000000 ] - [ -0.0006326200000000, -0.0006768600000000, 0.0000368900000000 ] - [ -0.0000752600000000, -0.0000910500000000, -0.0000058700000000 ] - [ 0.0000450100000000, 0.0000064300000000, 0.0000160100000000 ] - [ 0.0000032100000000, -0.0000200000000000, 0.0003059600000000 ] - [ -0.0000362400000000, -0.0000387900000000, -0.0000097100000000 ] - [ 0.0003226400000000, 0.0001065800000000, -0.0003991900000000 ] - [ -0.0002983600000000, -0.0001253500000000, -0.0004248800000000 ] - [ 0.0009540700000000, -0.0010112300000000, -0.0002300800000000 ] - [ 0.0013026100000000, -0.0007077700000000, -0.0002482400000000 ] - [ -0.0176337600000000, -0.0003529900000000, -0.0020677200000000 ] - [ 0.0002759100000000, -0.0006457700000000, -0.0009018000000000 ] - [ -0.0010691500000000, -0.0006716500000000, -0.0000974700000000 ] - [ -0.0008373300000000, -0.0001957400000000, -0.0004433700000000 ] - [ -0.0001708000000000, 0.0005566500000000, -0.0008756000000000 ] - [ 0.0001369900000000, -0.0000712600000000, -0.0005148300000000 ] - [ 0.0061969800000000, 0.0006315500000000, -0.0003366000000000 ] - [ -0.0001722400000000, -0.0006134700000000, -0.0008010600000000 ] - [ 0.0033936800000000, -0.0017021100000000, -0.0007111800000000 ] - [ -0.0063251900000000, -0.0001499400000000, -0.0001483500000000 ] - [ 0.0292495500000000, -0.0101856000000000, 0.0037804100000000 ] - [ -0.0009870400000000, 0.0010129000000000, -0.0000723500000000 ] - [ -0.0003584000000000, -0.0000402100000000, -0.0004409300000000 ] - [ -0.0001643800000000, 0.0000258000000000, -0.0002139900000000 ] - [ 0.0007446800000000, -0.0010180000000000, 0.0000266400000000 ] - [ 0.0003119400000000, 0.0000293600000000, -0.0004739400000000 ] - [ 0.0007461400000000, 0.0008786800000000, 0.0000540700000000 ] - [ 0.0002608100000000, -0.0006817800000000, -0.0009492400000000 ] - [ 0.0003050400000000, -0.0001174500000000, -0.0004330300000000 ] - [ -0.0004886500000000, -0.0000089300000000, -0.0005413700000000 ] - [ -0.0015649800000000, 0.0009653500000000, -0.0010447000000000 ] - [ 0.0004877000000000, 0.0000598800000000, -0.0006540900000000 ] - [ -0.0004824400000000, -0.0000444800000000, -0.0005648100000000 ] - [ -0.0002194000000000, -0.0007604500000000, -0.0007200700000000 ] - [ 0.0004798900000000, -0.0000627200000000, -0.0005702400000000 ] - [ 0.0001727400000000, 0.0005502400000000, -0.0008783600000000 ] - [ -0.0007380400000000, -0.0010133000000000, 0.0000549200000000 ] - [ -0.0007528700000000, 0.0008511200000000, 0.0000206800000000 ] - [ -0.0003443500000000, 0.0001776500000000, -0.0005111200000000 ] - [ 0.0002772300000000, -0.0005306900000000, 0.0002827400000000 ] - [ 0.0035924100000000, -0.0012224900000000, 0.0012442700000000 ] - [ 0.0058102400000000, 0.0043187100000000, 0.0008447000000000 ] - [ -0.0014350100000000, 0.0003831700000000, -0.0012093200000000 ] - [ -0.0007245900000000, -0.0000310500000000, 0.0004907800000000 ] - [ 0.0001000100000000, -0.0003491000000000, 0.0008924500000000 ] - [ -0.0992932900000000, -0.0044028300000000, 0.0006117200000000 ] - [ -0.0004393800000000, 0.0009488700000000, 0.0004238500000000 ] - [ 0.0000273100000000, -0.0003267300000000, -0.0006270200000000 ] - [ 0.0003593300000000, -0.0002694200000000, -0.0000716600000000 ] - [ 0.0003126100000000, 0.0001913300000000, 0.0000298300000000 ] - [ -0.0010513600000000, -0.0004865400000000, -0.0071176300000000 ] - [ -0.0003053000000000, 0.0002369000000000, 0.0006537700000000 ] - [ -0.0000005000000000, 0.0000435100000000, -0.0002620900000000 ] - [ 0.0024155300000000, -0.0003282000000000, -0.0000699700000000 ] - [ 0.0141745100000000, -0.0121162300000000, 0.0036824600000000 ] - [ -0.0029617700000000, -0.0031404000000000, 0.0059042800000000 ] - [ 0.0000649300000000, -0.0002474700000000, 0.0000735000000000 ] - [ 0.0008512100000000, 0.0006181100000000, -0.0002550100000000 ] - [ 0.0004684300000000, 0.0007567200000000, 0.0002541000000000 ] - [ 0.0004746400000000, 0.0009553400000000, 0.0004394500000000 ] - [ 0.0003754300000000, 0.0002054600000000, 0.0000971600000000 ] - [ 0.0013389500000000, 0.0001064300000000, -0.0000376500000000 ] - [ 0.0088058200000000, 0.0097694800000000, -0.0050998900000000 ] - [ -0.0000463000000000, 0.0004258300000000, -0.0001215700000000 ] - [ -0.0009923800000000, -0.0003485900000000, 0.0002756000000000 ] - [ -0.0099891600000000, -0.0006016100000000, 0.0015632800000000 ] - [ 0.0000355900000000, 0.0006660000000000, 0.0004157200000000 ] - [ 0.0005016600000000, -0.0006107700000000, 0.0002172000000000 ] - [ 0.0008818300000000, -0.0005593400000000, -0.0002617400000000 ] - [ -0.0007036300000000, -0.0003895900000000, -0.0002759800000000 ] - [ -0.0003589900000000, 0.0003065400000000, -0.0000722200000000 ] - [ -0.0001226500000000, -0.0004946300000000, 0.0002877700000000 ] - [ -0.0028272500000000, 0.0039915900000000, 0.0021269400000000 ] - [ -0.0000778200000000, 0.0005988000000000, 0.0002225000000000 ] - [ -0.0002871500000000, 0.0006158200000000, 0.0002587500000000 ] - [ -0.0000445000000000, -0.0000050300000000, 0.0009795800000000 ] - [ 0.0003650400000000, -0.0008373200000000, 0.0004463400000000 ] - [ 0.0002906800000000, 0.0004245400000000, 0.0000187800000000 ] - [ -0.0014582900000000, -0.0000710900000000, -0.0000764800000000 ] - [ -0.0005852600000000, 0.0006832100000000, 0.0002770500000000 ] - [ 0.0001241200000000, -0.0002108600000000, 0.0007479100000000 ] - [ -0.0031707900000000, -0.0006666300000000, 0.0091045600000000 ] - [ 0.0003541500000000, -0.0004333000000000, -0.0001490800000000 ] - [ -0.0002963400000000, 0.0003778200000000, -0.0000671700000000 ] - [ 0.0041941700000000, 0.0011617600000000, 0.0054605800000000 ] - [ 0.0003344400000000, 0.0003134500000000, -0.0006610900000000 ] - [ -0.0018407400000000, 0.0017497900000000, -0.0007209900000000 ] - [ -0.0002772400000000, -0.0002505400000000, 0.0006612500000000 ] - [ 0.0002963900000000, -0.0002464000000000, -0.0006480200000000 ] - [ 0.0036952300000000, -0.0042316800000000, -0.0089599500000000 ] - [ 0.0019448600000000, 0.0001283300000000, 0.0001722000000000 ] - [ -0.0000673700000000, -0.0000827200000000, -0.0003539400000000 ] - [ -0.0002008500000000, 0.0003058800000000, 0.0011030100000000 ] - [ 0.0002557900000000, 0.0002012400000000, -0.0002402100000000 ] - [ -0.0003982200000000, -0.0002148300000000, 0.0004085400000000 ] - [ 0.0003985900000000, -0.0006106100000000, 0.0003236600000000 ] - [ -0.0002764300000000, -0.0005277800000000, 0.0002802700000000 ] - [ -0.0000873200000000, -0.0003307000000000, 0.0008755400000000 ] - [ -0.0004555200000000, -0.0008778100000000, 0.0004512100000000 ] - [ -0.0001459900000000, 0.0000560800000000, 0.0001328500000000 ] - [ 0.0000863900000000, -0.0003215400000000, 0.0008774300000000 ] - [ 0.0003123800000000, 0.0004503400000000, -0.0001902500000000 ] - [ -0.0003942900000000, 0.0008404500000000, 0.0004117600000000 ] - [ -0.0003169200000000, -0.0002613500000000, -0.0006419500000000 ] - [ 0.0002779200000000, -0.0003770000000000, 0.0000369600000000 ] - [ 0.0001406800000000, -0.0000121100000000, 0.0001233300000000 ] - [ 0.0001513400000000, 0.0000450800000000, 0.0001347700000000 ] - [ -0.0001569400000000, 0.0001412900000000, 0.0006260300000000 ] - [ -0.0001248300000000, -0.0001860700000000, -0.0001412100000000 ] - [ -0.0003178100000000, -0.0004134400000000, -0.0001906600000000 ] - [ 0.0000098800000000, 0.0000176100000000, 0.0009699500000000 ] - [ 0.0000920800000000, -0.0003166600000000, -0.0001240500000000 ] - [ -0.0001367800000000, -0.0000451900000000, 0.0001487000000000 ] - [ 0.0011045700000000, 0.0005802500000000, -0.0002716400000000 ] - [ 0.0005836500000000, 0.0006548500000000, 0.0002639800000000 ] - [ 0.0004708700000000, 0.0006599400000000, 0.0004671900000000 ] - [ 0.0003285800000000, 0.0003158600000000, -0.0001292500000000 ] - [ 0.0003000700000000, 0.0002347300000000, 0.0006512300000000 ] - [ -0.0000071700000000, 0.0000139800000000, -0.0001967000000000 ] - [ -0.0001484600000000, 0.0002056900000000, -0.0001251100000000 ] - [ -0.0000918900000000, -0.0003213600000000, -0.0001205300000000 ] - [ -0.0005644000000000, -0.0006384600000000, 0.0002538300000000 ] - [ 0.0001519300000000, 0.0005489000000000, 0.0003225500000000 ] - [ 0.0005633500000000, -0.0006287100000000, 0.0002532400000000 ] - [ 0.0008186300000000, -0.0005759700000000, -0.0002320700000000 ] - [ -0.0008566700000000, -0.0005623500000000, -0.0002497600000000 ] - [ -0.0003787400000000, 0.0003033000000000, -0.0000415100000000 ] - [ -0.0003209600000000, -0.0007155700000000, 0.0004402300000000 ] - [ 0.0000856700000000, 0.0003642300000000, 0.0008590000000000 ] - [ -0.0000898500000000, 0.0005191000000000, 0.0002629900000000 ] - [ -0.0003077300000000, 0.0006363600000000, 0.0003324300000000 ] - [ -0.0000028100000000, 0.0000221600000000, 0.0009801900000000 ] - [ 0.0004594600000000, -0.0008550700000000, 0.0004529100000000 ] - [ 0.0000956900000000, 0.0003581200000000, -0.0001187700000000 ] - [ -0.0008816000000000, 0.0005939800000000, -0.0002527700000000 ] - [ -0.0006886500000000, 0.0008686300000000, 0.0001347100000000 ] - [ 0.0003007000000000, -0.0001660200000000, 0.0006540300000000 ] - [ 0.0001246800000000, -0.0001905800000000, -0.0001413900000000 ] - [ 0.0003185300000000, -0.0003896100000000, -0.0001718300000000 ] - [ -0.0003128100000000, 0.0004592900000000, -0.0001885700000000 ] - [ 0.0001231800000000, -0.0004956000000000, 0.0002916600000000 ] - [ 0.0003571700000000, 0.0002393700000000, -0.0006500300000000 ] - [ -0.0003242500000000, 0.0002943300000000, -0.0006387400000000 ] - [ -0.0004056400000000, 0.0001021400000000, 0.0005341600000000 ] - [ 0.0003184800000000, -0.0002950700000000, -0.0006659700000000 ] - [ -0.0003572800000000, -0.0002667200000000, -0.0000709100000000 ] - [ -0.0000957100000000, 0.0003753800000000, -0.0001492500000000 ] - [ 0.0000033900000000, 0.0000184100000000, -0.0001847000000000 ] - [ -0.0000920100000000, 0.0003853400000000, 0.0008796400000000 ] - [ 0.0001564500000000, 0.0002245800000000, -0.0001541900000000 ] - [ 0.0002815800000000, 0.0006543600000000, 0.0001962800000000 ]- atom: 71 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003644200000000, -0.0000495200000000, -0.0005109500000000 ] - [ 0.0006432300000000, -0.0013160500000000, -0.0000930400000000 ] - [ -0.0507122700000000, -0.0253256700000000, 0.0142929000000000 ] - [ -0.0012179700000000, -0.0014926400000000, 0.0000261300000000 ] - [ 0.0000642800000000, -0.0000311000000000, 0.0000351300000000 ] - [ 0.0006293100000000, -0.0002251400000000, 0.0008033400000000 ] - [ -0.0003913400000000, -0.0001697100000000, -0.0004126000000000 ] - [ 0.0006428600000000, -0.0015480100000000, -0.0003742300000000 ] - [ -0.0002867600000000, 0.0009219700000000, -0.0007179300000000 ] - [ 0.0006410000000000, 0.0006789100000000, 0.0000105200000000 ] - [ -0.0006986900000000, -0.0006192300000000, 0.0000412300000000 ] - [ -0.0000064300000000, -0.0000265300000000, 0.0000111700000000 ] - [ 0.0004959200000000, 0.0006436700000000, -0.0001498900000000 ] - [ 0.0002024700000000, 0.0014129000000000, 0.0020460100000000 ] - [ -0.0163511500000000, 0.0079834700000000, -0.0051301100000000 ] - [ 0.0003680600000000, 0.0000813800000000, -0.0004958400000000 ] - [ 0.0003347600000000, -0.0001141400000000, -0.0005327300000000 ] - [ 0.0006668700000000, -0.0006528500000000, -0.0000216700000000 ] - [ -0.0006405300000000, 0.0006699000000000, 0.0000135100000000 ] - [ -0.0003672900000000, 0.0000822100000000, -0.0004847400000000 ] - [ 0.0000432300000000, 0.0000242300000000, -0.0000079100000000 ] - [ 0.0000025900000000, 0.0000372400000000, 0.0002997900000000 ] - [ 0.0000025900000000, 0.0000368900000000, 0.0005489300000000 ] - [ -0.0000021500000000, 0.0000159600000000, 0.0005516200000000 ] - [ -0.0003698200000000, -0.0000213300000000, -0.0004874700000000 ] - [ 0.0006331800000000, 0.0006312300000000, 0.0000464800000000 ] - [ -0.0006583500000000, -0.0006150900000000, -0.0000119400000000 ] - [ -0.0000033800000000, 0.0001177700000000, -0.0000092100000000 ] - [ 0.0000343400000000, 0.0000197800000000, -0.0000306700000000 ] - [ -0.0000027500000000, 0.0000204800000000, 0.0003046700000000 ] - [ -0.0000428300000000, 0.0000132100000000, -0.0000045900000000 ] - [ 0.0004150400000000, -0.0000068800000000, -0.0005858200000000 ] - [ -0.0003234700000000, -0.0000011200000000, -0.0004361700000000 ] - [ 0.0005420700000000, -0.0008517400000000, 0.0003101300000000 ] - [ -0.0006760400000000, 0.0008359500000000, -0.0006103500000000 ] - [ 0.0191475200000000, 0.0021907400000000, 0.0022049500000000 ] - [ 0.0000789700000000, -0.0005712900000000, -0.0008236800000000 ] - [ 0.0016799000000000, 0.0005552600000000, -0.0007642100000000 ] - [ -0.0001208700000000, 0.0001866700000000, -0.0006622900000000 ] - [ -0.0001835200000000, 0.0006615400000000, -0.0008506700000000 ] - [ 0.0008263300000000, 0.0000671400000000, -0.0005992300000000 ] - [ -0.0071495500000000, -0.0006269200000000, -0.0007664300000000 ] - [ -0.0001816500000000, -0.0006063800000000, -0.0009220700000000 ] - [ -0.0024104600000000, 0.0016624600000000, -0.0003938600000000 ] - [ 0.0066662100000000, 0.0013773700000000, -0.0015596300000000 ] - [ -0.0305876100000000, 0.0078714500000000, -0.0035307500000000 ] - [ -0.0005082300000000, 0.0008459800000000, 0.0001546700000000 ] - [ -0.0002611800000000, 0.0001713500000000, -0.0004190200000000 ] - [ -0.0004574300000000, -0.0001541800000000, -0.0006405900000000 ] - [ 0.0007504300000000, -0.0008401000000000, 0.0000613600000000 ] - [ 0.0003102800000000, 0.0000982500000000, -0.0003841500000000 ] - [ 0.0007485500000000, 0.0009815800000000, 0.0000342600000000 ] - [ 0.0000929800000000, -0.0005336000000000, -0.0007752400000000 ] - [ 0.0003164700000000, -0.0000087800000000, -0.0004261100000000 ] - [ -0.0004669900000000, 0.0000072700000000, -0.0005719600000000 ] - [ 0.0012105400000000, 0.0002513200000000, -0.0006851700000000 ] - [ 0.0004685600000000, -0.0000609900000000, -0.0004588800000000 ] - [ -0.0004734000000000, 0.0000479200000000, -0.0005481500000000 ] - [ -0.0001348700000000, -0.0004562900000000, -0.0010065800000000 ] - [ 0.0004762100000000, 0.0000665200000000, -0.0005424800000000 ] - [ 0.0001818600000000, 0.0006681700000000, -0.0008479900000000 ] - [ -0.0007565000000000, -0.0008451700000000, 0.0000332000000000 ] - [ -0.0007417600000000, 0.0010092300000000, 0.0000673700000000 ] - [ -0.0002789600000000, -0.0000582400000000, -0.0003494400000000 ] - [ 0.0002776300000000, -0.0006120700000000, 0.0002410800000000 ] - [ -0.0041562200000000, 0.0000901100000000, -0.0007544400000000 ] - [ -0.0059301100000000, -0.0049422900000000, 0.0009348600000000 ] - [ 0.0005146500000000, -0.0021975500000000, 0.0020761900000000 ] - [ 0.0004127800000000, 0.0000914900000000, -0.0002140500000000 ] - [ 0.0000783400000000, -0.0003466900000000, 0.0008619000000000 ] - [ 0.1006205300000000, 0.0073975100000000, -0.0021080300000000 ] - [ -0.0004754400000000, 0.0008543000000000, 0.0004395800000000 ] - [ -0.0006684000000000, -0.0002320300000000, -0.0006634500000000 ] - [ 0.0003602000000000, -0.0003017000000000, -0.0000716700000000 ] - [ -0.0000078400000000, -0.0002492800000000, 0.0002430300000000 ] - [ 0.0013635300000000, 0.0005545300000000, 0.0074241200000000 ] - [ -0.0002919300000000, 0.0001683200000000, 0.0006323600000000 ] - [ -0.0002449900000000, -0.0004331200000000, -0.0000119700000000 ] - [ -0.0030620100000000, -0.0004832100000000, -0.0002993000000000 ] - [ -0.0144088800000000, 0.0123423200000000, -0.0017154000000000 ] - [ 0.0032104800000000, 0.0023902900000000, -0.0061425100000000 ] - [ -0.0003705500000000, 0.0001942700000000, 0.0002068000000000 ] - [ 0.0008927100000000, 0.0005416300000000, -0.0002555600000000 ] - [ 0.0006674400000000, 0.0005612700000000, 0.0002585700000000 ] - [ 0.0004410600000000, 0.0008471600000000, 0.0004261800000000 ] - [ 0.0003428100000000, 0.0003663200000000, -0.0002420000000000 ] - [ -0.0007405800000000, 0.0002905300000000, 0.0013149300000000 ] - [ -0.0086807100000000, -0.0096281700000000, 0.0045945500000000 ] - [ -0.0002149000000000, -0.0000139500000000, -0.0001629300000000 ] - [ 0.0008025300000000, -0.0003525400000000, -0.0005349700000000 ] - [ 0.0088164100000000, -0.0007184100000000, -0.0010591000000000 ] - [ 0.0002111300000000, 0.0003699900000000, 0.0001741600000000 ] - [ 0.0006304400000000, -0.0007089900000000, 0.0002944400000000 ] - [ 0.0008603600000000, -0.0006010500000000, -0.0002483900000000 ] - [ -0.0010411400000000, -0.0007662400000000, -0.0002348400000000 ] - [ -0.0003593600000000, 0.0002640200000000, -0.0000716100000000 ] - [ -0.0001250100000000, -0.0005413700000000, 0.0003015000000000 ] - [ 0.0029794400000000, -0.0033399800000000, -0.0003457200000000 ] - [ -0.0001691700000000, 0.0004383100000000, 0.0003656700000000 ] - [ -0.0002679900000000, 0.0005257800000000, 0.0002654500000000 ] - [ 0.0000434600000000, 0.0000054300000000, 0.0009732800000000 ] - [ 0.0005479900000000, -0.0009543800000000, 0.0004265500000000 ] - [ -0.0000995400000000, 0.0002828400000000, -0.0002803900000000 ] - [ -0.0002862100000000, 0.0012321500000000, -0.0004341100000000 ] - [ -0.0005471200000000, 0.0006390700000000, 0.0002355800000000 ] - [ 0.0004732400000000, -0.0001934300000000, 0.0005362000000000 ] - [ 0.0033994300000000, 0.0002604700000000, -0.0093169300000000 ] - [ 0.0002698100000000, -0.0004181000000000, -0.0002226800000000 ] - [ -0.0003276400000000, 0.0004739700000000, -0.0003036300000000 ] - [ -0.0039483700000000, -0.0022184500000000, -0.0049016700000000 ] - [ 0.0003085300000000, 0.0002427500000000, -0.0006290700000000 ] - [ 0.0011880700000000, -0.0012009100000000, -0.0005676500000000 ] - [ -0.0003197900000000, -0.0001532300000000, 0.0006242000000000 ] - [ 0.0003464400000000, -0.0003095800000000, -0.0006426500000000 ] - [ -0.0043960200000000, 0.0036002100000000, 0.0087322000000000 ] - [ -0.0021266400000000, 0.0005866100000000, -0.0004678500000000 ] - [ 0.0000675700000000, 0.0000833200000000, -0.0000291000000000 ] - [ 0.0000216400000000, 0.0003892000000000, 0.0006562900000000 ] - [ 0.0000014000000000, 0.0002081600000000, -0.0000428900000000 ] - [ 0.0009673100000000, 0.0013121600000000, 0.0001375200000000 ] - [ 0.0001564400000000, -0.0005287500000000, 0.0002034700000000 ] - [ -0.0002782000000000, -0.0006149000000000, 0.0002437500000000 ] - [ -0.0000899000000000, -0.0003650700000000, 0.0008767000000000 ] - [ -0.0004599400000000, -0.0009247200000000, 0.0004130100000000 ] - [ -0.0001585400000000, 0.0000032300000000, 0.0001424100000000 ] - [ 0.0000908200000000, -0.0003747300000000, 0.0008753400000000 ] - [ 0.0003113500000000, 0.0004004300000000, -0.0001826600000000 ] - [ -0.0005215400000000, 0.0009612000000000, 0.0004535900000000 ] - [ -0.0003256200000000, -0.0002958700000000, -0.0006498200000000 ] - [ 0.0004407200000000, -0.0001948900000000, -0.0001782100000000 ] - [ 0.0001644000000000, -0.0000474300000000, 0.0001520100000000 ] - [ 0.0001537600000000, 0.0000145500000000, 0.0001405900000000 ] - [ -0.0004396400000000, 0.0002633100000000, 0.0006620500000000 ] - [ -0.0001278300000000, -0.0002268100000000, -0.0001387700000000 ] - [ -0.0003054800000000, -0.0004377900000000, -0.0001817800000000 ] - [ -0.0000096500000000, -0.0000173500000000, 0.0009816100000000 ] - [ 0.0000989000000000, -0.0003885200000000, -0.0001403200000000 ] - [ -0.0001677600000000, -0.0000147800000000, 0.0001265600000000 ] - [ 0.0006411100000000, 0.0005826000000000, -0.0002393700000000 ] - [ 0.0005485600000000, 0.0006686500000000, 0.0002494000000000 ] - [ 0.0004450700000000, 0.0011406400000000, 0.0003972500000000 ] - [ 0.0003907000000000, 0.0002553500000000, -0.0000140400000000 ] - [ 0.0002974900000000, 0.0001705000000000, 0.0006353200000000 ] - [ 0.0000072200000000, -0.0000137300000000, -0.0001889300000000 ] - [ -0.0001041800000000, 0.0002071700000000, -0.0001551500000000 ] - [ -0.0000986900000000, -0.0003839000000000, -0.0001436600000000 ] - [ -0.0005674600000000, -0.0006848300000000, 0.0002594500000000 ] - [ 0.0000956600000000, 0.0004867100000000, 0.0002665900000000 ] - [ 0.0005690400000000, -0.0006941800000000, 0.0002603700000000 ] - [ 0.0009220300000000, -0.0005834900000000, -0.0002786800000000 ] - [ -0.0008861000000000, -0.0005978900000000, -0.0002610300000000 ] - [ -0.0003401300000000, 0.0002672400000000, -0.0001025900000000 ] - [ 0.0000733500000000, -0.0003211800000000, 0.0001510800000000 ] - [ 0.0000917800000000, 0.0003314700000000, 0.0008928300000000 ] - [ -0.0001575400000000, 0.0005170200000000, 0.0003260600000000 ] - [ -0.0002475200000000, 0.0005060800000000, 0.0001936900000000 ] - [ 0.0000028400000000, -0.0000223800000000, 0.0009717100000000 ] - [ 0.0004558100000000, -0.0009482800000000, 0.0004118000000000 ] - [ 0.0000952800000000, 0.0003466400000000, -0.0001455300000000 ] - [ -0.0008610300000000, 0.0005668700000000, -0.0002578400000000 ] - [ -0.0004435500000000, 0.0004537100000000, 0.0003785500000000 ] - [ 0.0002966500000000, -0.0002404800000000, 0.0006324100000000 ] - [ 0.0001280900000000, -0.0002221700000000, -0.0001384700000000 ] - [ 0.0003054900000000, -0.0004617000000000, -0.0002004000000000 ] - [ -0.0003105700000000, 0.0003914000000000, -0.0001843900000000 ] - [ 0.0001249700000000, -0.0005404700000000, 0.0002978100000000 ] - [ 0.0002863800000000, 0.0003186100000000, -0.0006387500000000 ] - [ -0.0003184700000000, 0.0002624000000000, -0.0006526300000000 ] - [ -0.0001917500000000, -0.0005077200000000, 0.0007520100000000 ] - [ 0.0003245500000000, -0.0002609300000000, -0.0006244800000000 ] - [ -0.0003616700000000, -0.0003044700000000, -0.0000729000000000 ] - [ -0.0000947700000000, 0.0003296100000000, -0.0001148800000000 ] - [ -0.0000035500000000, -0.0000187400000000, -0.0002005800000000 ] - [ -0.0000850600000000, 0.0003101900000000, 0.0008725900000000 ] - [ 0.0000964200000000, 0.0001883600000000, -0.0001255500000000 ] - [ 0.0002736000000000, 0.0004877400000000, 0.0003278300000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001658300000000, -0.0012474800000000, -0.0004013500000000 ] - [ 0.0008326400000000, -0.0023939400000000, -0.0005266700000000 ] - [ 0.0277768200000000, 0.0228434600000000, -0.0097826900000000 ] - [ 0.0002709800000000, -0.0019838400000000, -0.0017089000000000 ] - [ 0.0003121300000000, 0.0012440200000000, 0.0005303000000000 ] - [ 0.0014123400000000, 0.0012399200000000, 0.0033517900000000 ] - [ -0.0004988300000000, 0.0015520000000000, 0.0030221200000000 ] - [ 0.0005185600000000, 0.0036406300000000, -0.0023346200000000 ] - [ -0.0008312200000000, -0.0018581600000000, -0.0011768400000000 ] - [ 0.0007715700000000, -0.0002400700000000, 0.0000016400000000 ] - [ -0.0002433500000000, -0.0016748800000000, -0.0000511100000000 ] - [ -0.0002100300000000, 0.0002058700000000, 0.0004794600000000 ] - [ -0.0020299800000000, -0.0046890900000000, -0.0000824200000000 ] - [ -0.0021312300000000, 0.0043021900000000, -0.0040870300000000 ] - [ -0.0027811200000000, 0.0070608400000000, -0.0016391900000000 ] - [ 0.0004973500000000, -0.0010077800000000, -0.0004021500000000 ] - [ 0.0004402100000000, -0.0002163900000000, -0.0001592800000000 ] - [ 0.0005378200000000, -0.0011349900000000, -0.0000134700000000 ] - [ -0.0007534200000000, -0.0000543700000000, 0.0000670500000000 ] - [ -0.0004404800000000, -0.0005346200000000, -0.0005384400000000 ] - [ -0.0000470100000000, -0.0009848300000000, -0.0000616400000000 ] - [ 0.0000413900000000, -0.0008663500000000, 0.0003389000000000 ] - [ -0.0001130100000000, -0.0008825300000000, 0.0005749600000000 ] - [ 0.0001046600000000, -0.0008371100000000, 0.0005377500000000 ] - [ -0.0003338500000000, -0.0006226600000000, -0.0005320700000000 ] - [ 0.0003865900000000, 0.0017257100000000, 0.0003554500000000 ] - [ -0.0006885900000000, -0.0005274900000000, 0.0003668800000000 ] - [ -0.0003283600000000, -0.0011772900000000, 0.0000461900000000 ] - [ 0.0000625000000000, -0.0005914700000000, 0.0000254900000000 ] - [ -0.0000502100000000, -0.0008052300000000, 0.0002797000000000 ] - [ 0.0000215000000000, -0.0008099800000000, -0.0000133000000000 ] - [ 0.0002345100000000, -0.0000783700000000, -0.0000812800000000 ] - [ -0.0001829700000000, -0.0019923200000000, -0.0010769200000000 ] - [ 0.0005714700000000, 0.0021613600000000, 0.0019653600000000 ] - [ 0.0004936800000000, -0.0046357500000000, 0.0032254900000000 ] - [ -0.0008046900000000, 0.0109345400000000, -0.0003627300000000 ] - [ 0.0001893100000000, -0.0020474100000000, -0.0011065600000000 ] - [ 0.0009878900000000, -0.0008481400000000, 0.0007329700000000 ] - [ -0.0001118700000000, -0.0021055600000000, 0.0009925600000000 ] - [ -0.0000700400000000, -0.0010307000000000, -0.0011277100000000 ] - [ -0.0006013900000000, 0.0006036700000000, -0.0017615700000000 ] - [ -0.0000147000000000, 0.0034881200000000, 0.0029155900000000 ] - [ -0.0001792700000000, -0.0036548600000000, 0.0011480100000000 ] - [ -0.0012570500000000, 0.0117932400000000, -0.0039912800000000 ] - [ 0.0009157200000000, 0.0071794500000000, -0.0025905700000000 ] - [ -0.0074189600000000, 0.1138601000000000, -0.0274992500000000 ] - [ -0.0008028300000000, 0.0038735500000000, 0.0002564200000000 ] - [ -0.0007497600000000, -0.0026409200000000, -0.0012764700000000 ] - [ -0.0000793300000000, -0.0004504200000000, -0.0019624800000000 ] - [ 0.0007118300000000, -0.0030504900000000, -0.0000837900000000 ] - [ 0.0005247900000000, -0.0014865500000000, 0.0003995300000000 ] - [ 0.0007534800000000, -0.0008254000000000, 0.0002321500000000 ] - [ 0.0003502800000000, -0.0005520100000000, -0.0024257400000000 ] - [ 0.0001119000000000, -0.0015250800000000, -0.0001671700000000 ] - [ -0.0003585600000000, -0.0016767700000000, 0.0000641300000000 ] - [ -0.0001641000000000, 0.0023199900000000, 0.0009476900000000 ] - [ 0.0004924800000000, -0.0015089500000000, -0.0005779200000000 ] - [ -0.0005479200000000, -0.0017096500000000, -0.0008466400000000 ] - [ -0.0004228900000000, -0.0024327200000000, 0.0001268100000000 ] - [ 0.0005509000000000, -0.0016563600000000, -0.0009376200000000 ] - [ 0.0000509900000000, -0.0009666800000000, -0.0013092500000000 ] - [ -0.0007008700000000, -0.0027227600000000, -0.0000265800000000 ] - [ -0.0008063900000000, -0.0011446400000000, 0.0000308600000000 ] - [ -0.0004108800000000, 0.0003521200000000, -0.0009313500000000 ] - [ 0.0002606200000000, 0.0007435000000000, 0.0008069000000000 ] - [ 0.0010082200000000, -0.0077870000000000, -0.0009442500000000 ] - [ -0.0009916500000000, -0.0055113800000000, 0.0024811700000000 ] - [ -0.0018434800000000, 0.0013929600000000, -0.0044740300000000 ] - [ -0.0005396400000000, -0.0035782600000000, 0.0007925400000000 ] - [ 0.0001125800000000, -0.0013285000000000, 0.0003035500000000 ] - [ -0.0047769800000000, -0.1801663900000000, 0.0568835600000000 ] - [ -0.0004858400000000, 0.0019068300000000, -0.0002779700000000 ] - [ -0.0003605900000000, 0.0002183100000000, -0.0009321500000000 ] - [ 0.0002648200000000, 0.0003157000000000, -0.0001224300000000 ] - [ 0.0000819300000000, 0.0001134900000000, -0.0005999800000000 ] - [ 0.0008253400000000, -0.0038527300000000, -0.0052243500000000 ] - [ -0.0003442100000000, 0.0010434300000000, 0.0006998800000000 ] - [ 0.0000971500000000, -0.0045986200000000, 0.0007964000000000 ] - [ -0.0002320500000000, 0.0007676300000000, 0.0001385500000000 ] - [ -0.0127278300000000, 0.0032540600000000, -0.0014999800000000 ] - [ -0.0017057300000000, -0.0017688700000000, -0.0117640100000000 ] - [ -0.0001676200000000, -0.0004518200000000, 0.0008737400000000 ] - [ 0.0006543800000000, 0.0012911700000000, -0.0001275800000000 ] - [ 0.0002230800000000, 0.0026171000000000, 0.0008661000000000 ] - [ 0.0004214800000000, 0.0015289000000000, 0.0007372600000000 ] - [ 0.0006186000000000, 0.0014181000000000, -0.0007783700000000 ] - [ 0.0004644900000000, 0.0008913300000000, 0.0029204800000000 ] - [ 0.0092418200000000, 0.0045360300000000, -0.0032676900000000 ] - [ 0.0016741700000000, 0.0008590900000000, 0.0022780500000000 ] - [ -0.0005348800000000, -0.0035280700000000, -0.0013203500000000 ] - [ -0.0042402900000000, -0.0068750400000000, 0.0029702500000000 ] - [ 0.0002205800000000, 0.0015625900000000, 0.0007741700000000 ] - [ 0.0005793300000000, -0.0013561300000000, 0.0007668600000000 ] - [ 0.0010216700000000, 0.0001194900000000, -0.0000439800000000 ] - [ 0.0000854700000000, 0.0000469700000000, -0.0007287300000000 ] - [ -0.0004836000000000, 0.0010461400000000, 0.0002422900000000 ] - [ -0.0000300300000000, 0.0001838300000000, 0.0001270000000000 ] - [ 0.0027128700000000, 0.0143427600000000, 0.0053329100000000 ] - [ -0.0004601600000000, 0.0014312000000000, 0.0001198200000000 ] - [ -0.0002918200000000, 0.0019270100000000, -0.0001947000000000 ] - [ -0.0000571800000000, -0.0007469700000000, 0.0006129200000000 ] - [ 0.0006334800000000, -0.0014988600000000, 0.0007545900000000 ] - [ -0.0000159800000000, -0.0012398400000000, 0.0006092400000000 ] - [ -0.0026903200000000, 0.0017772500000000, -0.0011422300000000 ] - [ -0.0005550000000000, 0.0009999100000000, 0.0000245300000000 ] - [ 0.0002413900000000, 0.0000719700000000, 0.0013332100000000 ] - [ 0.0003131800000000, -0.0032209400000000, -0.0063275200000000 ] - [ 0.0003194800000000, -0.0012819000000000, -0.0002825600000000 ] - [ -0.0002639300000000, -0.0009192000000000, -0.0004736400000000 ] - [ 0.0042199500000000, 0.0001672200000000, 0.0065356200000000 ] - [ 0.0004536400000000, 0.0010750700000000, -0.0006344400000000 ] - [ -0.0020034500000000, 0.0067576500000000, -0.0021361000000000 ] - [ -0.0002595100000000, 0.0012519200000000, -0.0002058700000000 ] - [ 0.0002404800000000, 0.0005165500000000, -0.0004279800000000 ] - [ -0.0043236100000000, 0.0010706200000000, 0.0077309900000000 ] - [ 0.0006788000000000, 0.0005576400000000, -0.0015378400000000 ] - [ 0.0003375400000000, -0.0007576800000000, -0.0005341300000000 ] - [ 0.0002190700000000, -0.0004555300000000, -0.0002966700000000 ] - [ 0.0001065400000000, 0.0007694000000000, -0.0009534600000000 ] - [ -0.0014253300000000, 0.0088466000000000, -0.0048190200000000 ] - [ 0.0002780500000000, -0.0029026100000000, -0.0009423100000000 ] - [ -0.0002589600000000, 0.0006246000000000, 0.0007490100000000 ] - [ -0.0000368900000000, 0.0002263700000000, 0.0009070000000000 ] - [ -0.0005065500000000, 0.0003126200000000, 0.0008324100000000 ] - [ 0.0000178100000000, 0.0007016900000000, 0.0000324700000000 ] - [ 0.0000276100000000, 0.0003280500000000, 0.0009048100000000 ] - [ 0.0003367900000000, 0.0011660300000000, -0.0002809900000000 ] - [ -0.0005254900000000, 0.0022140200000000, -0.0005118000000000 ] - [ -0.0002849900000000, 0.0000272800000000, -0.0008109000000000 ] - [ 0.0004823300000000, -0.0005316700000000, -0.0007927000000000 ] - [ 0.0002857800000000, 0.0006426700000000, 0.0001429000000000 ] - [ -0.0000088100000000, 0.0007079600000000, -0.0000039000000000 ] - [ -0.0003037100000000, -0.0002763100000000, 0.0000801600000000 ] - [ -0.0001213500000000, 0.0003138700000000, -0.0001613800000000 ] - [ -0.0002994500000000, 0.0002473600000000, -0.0001371200000000 ] - [ 0.0000313300000000, 0.0004551400000000, 0.0009618900000000 ] - [ 0.0000012800000000, 0.0005342200000000, 0.0000751700000000 ] - [ -0.0003070600000000, 0.0006308600000000, 0.0003585900000000 ] - [ 0.0005404300000000, 0.0003645200000000, 0.0000170700000000 ] - [ 0.0006226100000000, 0.0009892000000000, 0.0004536300000000 ] - [ 0.0004283200000000, 0.0018149000000000, 0.0002537900000000 ] - [ 0.0002802300000000, 0.0006783000000000, -0.0003337900000000 ] - [ 0.0003402600000000, 0.0011041800000000, 0.0010751000000000 ] - [ 0.0000165000000000, 0.0003962900000000, -0.0002157900000000 ] - [ -0.0001455000000000, 0.0006892600000000, 0.0000780500000000 ] - [ -0.0000084100000000, 0.0005952100000000, 0.0001255500000000 ] - [ -0.0005327000000000, -0.0000043100000000, 0.0001035100000000 ] - [ 0.0001228200000000, 0.0007305600000000, 0.0006848700000000 ] - [ 0.0005292600000000, 0.0002183900000000, 0.0002040100000000 ] - [ 0.0010321900000000, -0.0004454800000000, 0.0000057200000000 ] - [ -0.0009609600000000, -0.0001339400000000, -0.0003657900000000 ] - [ -0.0002949400000000, 0.0003800200000000, 0.0003402000000000 ] - [ -0.0004076800000000, -0.0006010300000000, -0.0002427200000000 ] - [ 0.0001274600000000, 0.0009035500000000, 0.0008311800000000 ] - [ 0.0000046400000000, 0.0009035100000000, 0.0001650600000000 ] - [ -0.0002538200000000, -0.0007069000000000, 0.0004403900000000 ] - [ -0.0000357900000000, 0.0005392100000000, 0.0009893300000000 ] - [ 0.0004731800000000, 0.0003270500000000, 0.0010919400000000 ] - [ 0.0001809900000000, 0.0011923300000000, -0.0002816300000000 ] - [ -0.0008170800000000, 0.0010583500000000, -0.0003978900000000 ] - [ -0.0006860000000000, 0.0026155500000000, -0.0001210000000000 ] - [ 0.0003165000000000, 0.0002352900000000, 0.0010651300000000 ] - [ 0.0001136400000000, 0.0003087300000000, -0.0002165800000000 ] - [ 0.0002756200000000, 0.0004378600000000, -0.0000485100000000 ] - [ -0.0003459300000000, 0.0012951500000000, -0.0002838200000000 ] - [ 0.0001013700000000, 0.0000576100000000, 0.0002112200000000 ] - [ 0.0002729100000000, 0.0001640700000000, -0.0006504700000000 ] - [ -0.0003965700000000, 0.0007069200000000, -0.0006751700000000 ] - [ -0.0002753100000000, 0.0013783900000000, -0.0003925500000000 ] - [ 0.0002808400000000, -0.0001976400000000, -0.0007401000000000 ] - [ -0.0003076500000000, 0.0002108600000000, -0.0000485700000000 ] - [ -0.0001840100000000, 0.0012940500000000, -0.0004391200000000 ] - [ 0.0000288200000000, 0.0004750700000000, -0.0001694000000000 ] - [ -0.0001577500000000, 0.0010824000000000, 0.0008605800000000 ] - [ 0.0001670300000000, 0.0007348600000000, -0.0002311700000000 ] - [ 0.0002984300000000, 0.0017920400000000, -0.0003473600000000 ]- atom: 71 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005708400000000, 0.0011406700000000, -0.0005821100000000 ] - [ 0.0004627500000000, 0.0010898300000000, 0.0005485700000000 ] - [ -0.0300596500000000, -0.0222120000000000, 0.0101830600000000 ] - [ -0.0010175700000000, 0.0020744300000000, 0.0007279200000000 ] - [ -0.0002334100000000, -0.0012656500000000, -0.0005435300000000 ] - [ -0.0014045700000000, -0.0012430900000000, -0.0027249300000000 ] - [ 0.0005009500000000, -0.0015405600000000, -0.0018968300000000 ] - [ -0.0005138600000000, -0.0035960500000000, 0.0034257500000000 ] - [ 0.0000969700000000, 0.0017472000000000, 0.0001953300000000 ] - [ 0.0005202600000000, 0.0015267200000000, 0.0000227800000000 ] - [ -0.0010474000000000, 0.0003767500000000, 0.0000765500000000 ] - [ 0.0001294600000000, -0.0001748900000000, -0.0004923200000000 ] - [ 0.0020777500000000, 0.0046620500000000, 0.0000798000000000 ] - [ 0.0021034300000000, -0.0042462100000000, 0.0046701700000000 ] - [ 0.0028922500000000, -0.0071746600000000, 0.0017077800000000 ] - [ 0.0002415500000000, 0.0011002700000000, -0.0005813500000000 ] - [ 0.0002968700000000, 0.0001130000000000, -0.0008236900000000 ] - [ 0.0007526000000000, -0.0001613700000000, 0.0000377500000000 ] - [ -0.0005381600000000, 0.0013421900000000, -0.0000420500000000 ] - [ -0.0002982500000000, 0.0006300700000000, -0.0004460500000000 ] - [ 0.0001255300000000, 0.0009524800000000, 0.0000466700000000 ] - [ -0.0000409600000000, 0.0008610600000000, 0.0002716500000000 ] - [ 0.0001120000000000, 0.0008770900000000, 0.0005317200000000 ] - [ -0.0001041300000000, 0.0008317500000000, 0.0005691400000000 ] - [ -0.0004037800000000, 0.0005200500000000, -0.0004525800000000 ] - [ 0.0009029900000000, -0.0004281300000000, -0.0003282100000000 ] - [ -0.0006031500000000, -0.0007628100000000, -0.0003409300000000 ] - [ 0.0002490000000000, 0.0011971900000000, -0.0000602600000000 ] - [ 0.0000169400000000, 0.0006130300000000, -0.0000401100000000 ] - [ 0.0000501100000000, 0.0008000700000000, 0.0003308700000000 ] - [ -0.0001004400000000, 0.0007789400000000, -0.0000012700000000 ] - [ 0.0005048700000000, 0.0001741700000000, -0.0009017200000000 ] - [ -0.0004379600000000, 0.0018531900000000, 0.0002126700000000 ] - [ 0.0009232600000000, -0.0039986300000000, -0.0018676200000000 ] - [ 0.0001380200000000, 0.0047458500000000, -0.0040762900000000 ] - [ 0.0022633200000000, -0.0089715200000000, 0.0004124100000000 ] - [ 0.0001652200000000, 0.0008204000000000, -0.0006195800000000 ] - [ -0.0003712100000000, 0.0007205800000000, -0.0015858900000000 ] - [ -0.0008457300000000, 0.0020907000000000, -0.0020918200000000 ] - [ -0.0002838700000000, 0.0022382600000000, -0.0005998900000000 ] - [ 0.0015468600000000, -0.0005973200000000, 0.0006387000000000 ] - [ -0.0009260900000000, -0.0034979200000000, -0.0039911000000000 ] - [ -0.0001712200000000, 0.0024235600000000, -0.0028672600000000 ] - [ 0.0022127600000000, -0.0117659400000000, 0.0028425000000000 ] - [ -0.0005672700000000, -0.0059357100000000, 0.0008361600000000 ] - [ 0.0051834000000000, -0.1077717700000000, 0.0248583400000000 ] - [ -0.0006943600000000, -0.0019907500000000, -0.0001714400000000 ] - [ 0.0001245300000000, 0.0027494800000000, 0.0004096200000000 ] - [ -0.0005418100000000, 0.0003144900000000, 0.0010910800000000 ] - [ 0.0007827400000000, 0.0011781300000000, 0.0001716100000000 ] - [ 0.0000984900000000, 0.0016048100000000, -0.0012527300000000 ] - [ 0.0007411500000000, 0.0026736500000000, -0.0001429600000000 ] - [ 0.0000065700000000, -0.0006639900000000, 0.0006831600000000 ] - [ 0.0005087700000000, 0.0013913200000000, -0.0006909800000000 ] - [ -0.0005965600000000, 0.0016641400000000, -0.0011745900000000 ] - [ -0.0001905900000000, -0.0010999100000000, -0.0026596000000000 ] - [ 0.0004627400000000, 0.0014958200000000, -0.0005339300000000 ] - [ -0.0004083800000000, 0.0017018100000000, -0.0002678300000000 ] - [ 0.0000674900000000, 0.0012051900000000, -0.0018497600000000 ] - [ 0.0004054300000000, 0.0016486700000000, -0.0001779000000000 ] - [ 0.0003027300000000, 0.0021741400000000, -0.0004203000000000 ] - [ -0.0007935800000000, 0.0008522300000000, 0.0001139500000000 ] - [ -0.0006887400000000, 0.0029908800000000, 0.0000576300000000 ] - [ -0.0002103600000000, -0.0002301000000000, 0.0000677200000000 ] - [ 0.0002938800000000, -0.0018783800000000, -0.0002799500000000 ] - [ -0.0015458100000000, 0.0065874100000000, 0.0014713100000000 ] - [ 0.0007763900000000, 0.0047236600000000, -0.0007070000000000 ] - [ 0.0009325300000000, -0.0031995600000000, 0.0053615300000000 ] - [ 0.0002381900000000, 0.0036239000000000, -0.0005160600000000 ] - [ 0.0000673100000000, 0.0006278100000000, 0.0014488500000000 ] - [ 0.0069881600000000, 0.1733967100000000, -0.0548060000000000 ] - [ -0.0004286900000000, -0.0001008500000000, 0.0011389700000000 ] - [ -0.0002808300000000, -0.0007680300000000, -0.0003610300000000 ] - [ 0.0004537100000000, -0.0008833400000000, -0.0000214400000000 ] - [ 0.0002235900000000, -0.0001718700000000, 0.0008696700000000 ] - [ -0.0005117800000000, 0.0039044800000000, 0.0054342800000000 ] - [ -0.0002535100000000, -0.0006336300000000, 0.0005863200000000 ] - [ -0.0003603500000000, 0.0041793000000000, -0.0010803400000000 ] - [ -0.0003871600000000, -0.0016080200000000, -0.0005026900000000 ] - [ 0.0124319600000000, -0.0031913000000000, 0.0034421000000000 ] - [ 0.0018501000000000, 0.0009445400000000, 0.0113384200000000 ] - [ -0.0001384100000000, 0.0003892900000000, -0.0005935800000000 ] - [ 0.0010859200000000, -0.0001254200000000, -0.0003821600000000 ] - [ 0.0009054000000000, -0.0012778400000000, -0.0003482500000000 ] - [ 0.0004945100000000, 0.0002770900000000, 0.0001305000000000 ] - [ 0.0001043800000000, -0.0008381400000000, 0.0006293900000000 ] - [ 0.0001327100000000, -0.0004794000000000, -0.0016187400000000 ] - [ -0.0089472700000000, -0.0044292000000000, 0.0027681300000000 ] - [ -0.0019054200000000, -0.0004350000000000, -0.0025341500000000 ] - [ 0.0003390900000000, 0.0027998700000000, 0.0010466400000000 ] - [ 0.0030826500000000, 0.0055974700000000, -0.0024535600000000 ] - [ 0.0000287200000000, -0.0005223100000000, -0.0001834400000000 ] - [ 0.0005532400000000, 0.0000317700000000, -0.0002511400000000 ] - [ 0.0007226200000000, -0.0012755700000000, -0.0004654700000000 ] - [ -0.0018300900000000, -0.0012033700000000, 0.0002180000000000 ] - [ -0.0002359500000000, -0.0004722300000000, -0.0003854500000000 ] - [ -0.0002167600000000, -0.0012156900000000, 0.0004608400000000 ] - [ -0.0024598800000000, -0.0132791600000000, -0.0033735200000000 ] - [ 0.0002104300000000, -0.0003897200000000, 0.0004669300000000 ] - [ -0.0002634800000000, -0.0007762000000000, 0.0007152700000000 ] - [ 0.0000564500000000, 0.0007411100000000, 0.0013376400000000 ] - [ 0.0002828700000000, -0.0003121400000000, 0.0001088900000000 ] - [ 0.0002058800000000, 0.0019300300000000, -0.0008676600000000 ] - [ 0.0009504200000000, -0.0006278400000000, 0.0006366300000000 ] - [ -0.0005774400000000, 0.0003235800000000, 0.0004866700000000 ] - [ 0.0003553100000000, -0.0004745700000000, -0.0000431300000000 ] - [ -0.0000693000000000, 0.0028212600000000, 0.0060132400000000 ] - [ 0.0003044700000000, 0.0004237500000000, -0.0000896000000000 ] - [ -0.0003599100000000, 0.0017614500000000, 0.0001011700000000 ] - [ -0.0039524200000000, -0.0011978000000000, -0.0059320100000000 ] - [ 0.0001903300000000, -0.0005122600000000, -0.0006570600000000 ] - [ 0.0013685100000000, -0.0062400900000000, 0.0008337100000000 ] - [ -0.0003373700000000, -0.0016482200000000, 0.0014861700000000 ] - [ 0.0004015100000000, -0.0010688900000000, -0.0008620500000000 ] - [ 0.0036088000000000, -0.0016237600000000, -0.0078720400000000 ] - [ -0.0008486300000000, 0.0001512500000000, 0.0012448000000000 ] - [ -0.0003359200000000, 0.0007513100000000, 0.0001461500000000 ] - [ -0.0003971200000000, 0.0011446000000000, 0.0020478400000000 ] - [ 0.0001495400000000, -0.0003589400000000, 0.0006648900000000 ] - [ 0.0019628800000000, -0.0076936700000000, 0.0053330700000000 ] - [ 0.0002766700000000, 0.0017446800000000, 0.0014593000000000 ] - [ -0.0002956600000000, -0.0017600800000000, -0.0002218600000000 ] - [ -0.0001404200000000, -0.0009186500000000, 0.0008458800000000 ] - [ -0.0004092000000000, -0.0021075500000000, 0.0000345100000000 ] - [ -0.0003217200000000, -0.0006378700000000, 0.0002423800000000 ] - [ 0.0001492300000000, -0.0010201400000000, 0.0008483100000000 ] - [ 0.0002868700000000, -0.0003109300000000, -0.0000923600000000 ] - [ -0.0003895500000000, -0.0004055800000000, 0.0013719900000000 ] - [ -0.0003576400000000, -0.0005831600000000, -0.0004810000000000 ] - [ 0.0002367600000000, -0.0000378800000000, 0.0006430000000000 ] - [ 0.0000204100000000, -0.0006986500000000, 0.0001329700000000 ] - [ 0.0003129900000000, -0.0006438300000000, 0.0002785500000000 ] - [ -0.0002934000000000, 0.0006820500000000, 0.0012020300000000 ] - [ -0.0001312700000000, -0.0007234900000000, -0.0001185600000000 ] - [ -0.0003237500000000, -0.0010939300000000, -0.0002346800000000 ] - [ -0.0000311600000000, -0.0004521900000000, 0.0009898700000000 ] - [ 0.0001890100000000, -0.0012339200000000, -0.0003383200000000 ] - [ 0.0000008500000000, -0.0006868400000000, -0.0000817900000000 ] - [ 0.0011996800000000, 0.0007972200000000, -0.0005258500000000 ] - [ 0.0005097100000000, 0.0003369500000000, 0.0000610700000000 ] - [ 0.0004868100000000, -0.0000058400000000, 0.0006096200000000 ] - [ 0.0004389300000000, -0.0001045700000000, 0.0001897600000000 ] - [ 0.0002573800000000, -0.0006930300000000, 0.0002148700000000 ] - [ -0.0000164500000000, -0.0003936900000000, -0.0001703500000000 ] - [ -0.0001069200000000, -0.0002734200000000, -0.0003571300000000 ] - [ -0.0001818300000000, -0.0012947600000000, -0.0003886000000000 ] - [ -0.0005991200000000, -0.0013152300000000, 0.0004087200000000 ] - [ 0.0001253300000000, 0.0003067200000000, -0.0000916400000000 ] - [ 0.0006026500000000, -0.0015355300000000, 0.0003088600000000 ] - [ 0.0007130600000000, -0.0007143800000000, -0.0005150200000000 ] - [ -0.0007828000000000, -0.0010243900000000, -0.0001457000000000 ] - [ -0.0004239100000000, 0.0001913200000000, -0.0004795300000000 ] - [ 0.0001567700000000, -0.0004316800000000, 0.0008246600000000 ] - [ 0.0000503900000000, -0.0002043500000000, 0.0009209500000000 ] - [ -0.0002523500000000, 0.0001354700000000, 0.0004239700000000 ] - [ -0.0003012700000000, 0.0018375700000000, 0.0000888500000000 ] - [ 0.0000355700000000, -0.0005361700000000, 0.0009627000000000 ] - [ 0.0004419300000000, -0.0021219800000000, -0.0002225900000000 ] - [ 0.0000105100000000, -0.0004816900000000, 0.0000157700000000 ] - [ -0.0009251000000000, 0.0001049500000000, -0.0001135900000000 ] - [ -0.0004470100000000, -0.0012891900000000, 0.0006330200000000 ] - [ 0.0002811300000000, -0.0006386900000000, 0.0002260600000000 ] - [ 0.0001386800000000, -0.0007184700000000, -0.0000637900000000 ] - [ 0.0003479000000000, -0.0012830700000000, -0.0003228100000000 ] - [ -0.0002778000000000, -0.0004392000000000, -0.0000898100000000 ] - [ 0.0001462400000000, -0.0010904200000000, 0.0003778100000000 ] - [ 0.0003696900000000, 0.0003930500000000, -0.0006435100000000 ] - [ -0.0002468100000000, -0.0001479200000000, -0.0006159700000000 ] - [ -0.0003225200000000, -0.0017780400000000, 0.0016762400000000 ] - [ 0.0003614900000000, -0.0003571600000000, -0.0005520300000000 ] - [ -0.0004111200000000, -0.0007792600000000, -0.0000947400000000 ] - [ -0.0000073100000000, -0.0005832700000000, 0.0001729600000000 ] - [ -0.0000291600000000, -0.0004725600000000, -0.0002163800000000 ] - [ -0.0000201400000000, -0.0003825900000000, 0.0008916700000000 ] - [ 0.0000856100000000, -0.0003190400000000, -0.0000488000000000 ] - [ 0.0002566200000000, -0.0006421900000000, 0.0008679300000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003934500000000, 0.0001346400000000, -0.0003559600000000 ] - [ 0.0007770800000000, -0.0005778800000000, 0.0006033100000000 ] - [ -0.0128517200000000, -0.0069535200000000, 0.0047925100000000 ] - [ -0.0006256100000000, -0.0000184500000000, 0.0003714600000000 ] - [ -0.0004441700000000, -0.0004827500000000, -0.0018869200000000 ] - [ -0.0026246000000000, 0.0012545600000000, -0.0027512900000000 ] - [ 0.0009935300000000, 0.0007543000000000, -0.0007227200000000 ] - [ 0.0011852200000000, -0.0023835700000000, -0.0000262100000000 ] - [ -0.0002230800000000, -0.0002059800000000, 0.0002287700000000 ] - [ 0.0006261200000000, 0.0007211900000000, 0.0000605900000000 ] - [ -0.0007273300000000, -0.0004024700000000, 0.0001781600000000 ] - [ -0.0000229700000000, 0.0003544800000000, -0.0005766100000000 ] - [ -0.0008089000000000, -0.0011968700000000, 0.0007842200000000 ] - [ -0.0015040500000000, -0.0019869800000000, -0.0010055900000000 ] - [ 0.0031255900000000, -0.0026519600000000, 0.0022175600000000 ] - [ 0.0003746100000000, 0.0002947600000000, -0.0003312500000000 ] - [ 0.0004096900000000, 0.0002729400000000, -0.0010696300000000 ] - [ 0.0006411300000000, -0.0006934100000000, -0.0001377600000000 ] - [ -0.0006307400000000, 0.0007568200000000, -0.0000428900000000 ] - [ -0.0003681600000000, 0.0000418900000000, -0.0006267300000000 ] - [ 0.0000459300000000, 0.0000689900000000, 0.0000560600000000 ] - [ -0.0000105200000000, 0.0001394900000000, 0.0003173300000000 ] - [ 0.0000191500000000, 0.0001446800000000, 0.0005639700000000 ] - [ -0.0000067500000000, 0.0000644900000000, 0.0005417600000000 ] - [ -0.0003423300000000, -0.0000283900000000, -0.0006283100000000 ] - [ 0.0009066600000000, 0.0004974000000000, -0.0014688700000000 ] - [ -0.0006851400000000, -0.0005092300000000, -0.0004799500000000 ] - [ 0.0000399300000000, 0.0003030200000000, 0.0001462700000000 ] - [ 0.0000603500000000, -0.0000766300000000, -0.0001832200000000 ] - [ -0.0000010400000000, 0.0000618200000000, 0.0002917600000000 ] - [ -0.0000535300000000, 0.0001148300000000, -0.0000578800000000 ] - [ 0.0002126600000000, 0.0002899000000000, -0.0011058000000000 ] - [ -0.0002571300000000, -0.0001872500000000, -0.0001616800000000 ] - [ 0.0010893400000000, -0.0019800200000000, -0.0033695500000000 ] - [ 0.0001588200000000, 0.0028113900000000, -0.0001608800000000 ] - [ 0.0037312400000000, -0.0011195900000000, 0.0053171500000000 ] - [ 0.0002465800000000, -0.0009386200000000, -0.0004852300000000 ] - [ -0.0001014100000000, 0.0006799300000000, -0.0004752800000000 ] - [ -0.0006248200000000, 0.0014082300000000, -0.0005402200000000 ] - [ -0.0002091100000000, 0.0009237700000000, -0.0007503100000000 ] - [ 0.0004864900000000, -0.0006728800000000, -0.0008507400000000 ] - [ -0.0005701300000000, 0.0014327600000000, -0.0048407000000000 ] - [ 0.0000987000000000, 0.0005188000000000, -0.0009583500000000 ] - [ 0.0015774700000000, -0.0080450500000000, -0.0070522100000000 ] - [ -0.0004323200000000, -0.0006228600000000, -0.0000954200000000 ] - [ 0.0024884600000000, -0.0317504500000000, 0.0308836400000000 ] - [ -0.0008312400000000, 0.0006744400000000, -0.0022356600000000 ] - [ -0.0004029900000000, -0.0000860100000000, -0.0003751400000000 ] - [ -0.0001500200000000, -0.0007096800000000, -0.0005473000000000 ] - [ 0.0007259500000000, -0.0007224900000000, 0.0001801000000000 ] - [ 0.0002582300000000, 0.0004899400000000, -0.0005995100000000 ] - [ 0.0007700100000000, 0.0011217500000000, -0.0001074400000000 ] - [ 0.0002646300000000, -0.0008446300000000, -0.0011683400000000 ] - [ 0.0004272100000000, 0.0005877700000000, -0.0006957500000000 ] - [ -0.0005357300000000, 0.0004459600000000, -0.0008295300000000 ] - [ -0.0005468200000000, 0.0011644100000000, -0.0026349000000000 ] - [ 0.0004427600000000, -0.0000690600000000, -0.0003518900000000 ] - [ -0.0004544000000000, 0.0002524600000000, -0.0004695700000000 ] - [ -0.0000665400000000, 0.0001059800000000, -0.0013314900000000 ] - [ 0.0004818600000000, 0.0001588700000000, -0.0005633200000000 ] - [ 0.0001828000000000, 0.0007024700000000, -0.0008823600000000 ] - [ -0.0007784800000000, -0.0006629200000000, -0.0000634000000000 ] - [ -0.0007149600000000, 0.0012085400000000, 0.0001776900000000 ] - [ -0.0011458100000000, -0.0024216600000000, -0.0012105700000000 ] - [ 0.0002803900000000, -0.0007495900000000, 0.0001433800000000 ] - [ -0.0005145300000000, 0.0002569000000000, -0.0008127100000000 ] - [ 0.0012976800000000, 0.0019326400000000, -0.0010227100000000 ] - [ 0.0000790400000000, -0.0032747700000000, 0.0016897800000000 ] - [ -0.0018321800000000, 0.0001481500000000, 0.0014394300000000 ] - [ 0.0002942100000000, -0.0006837200000000, 0.0021167900000000 ] - [ 0.0016831100000000, 0.0559428600000000, -0.0509205100000000 ] - [ -0.0003969700000000, 0.0001444600000000, 0.0009112400000000 ] - [ -0.0002910200000000, -0.0005442200000000, -0.0011714700000000 ] - [ 0.0003463900000000, -0.0003644700000000, -0.0001337300000000 ] - [ -0.0000791200000000, -0.0007217900000000, 0.0001838400000000 ] - [ -0.0012628600000000, 0.0003045100000000, 0.0058644800000000 ] - [ -0.0002813600000000, -0.0000792800000000, 0.0005435100000000 ] - [ 0.0023348500000000, 0.0014868700000000, 0.0025668400000000 ] - [ -0.0004227100000000, -0.0007476700000000, -0.0011477800000000 ] - [ -0.0001231500000000, 0.0004444900000000, -0.0019952400000000 ] - [ 0.0049489900000000, -0.0099224700000000, 0.0169437100000000 ] - [ -0.0004085200000000, 0.0005192000000000, 0.0002020100000000 ] - [ 0.0008416800000000, 0.0006397200000000, -0.0002944100000000 ] - [ 0.0004043300000000, 0.0009931000000000, 0.0002486100000000 ] - [ 0.0004867400000000, 0.0012466600000000, 0.0001437300000000 ] - [ 0.0002902500000000, 0.0000797600000000, -0.0004243000000000 ] - [ 0.0002846000000000, 0.0002669500000000, 0.0003358200000000 ] - [ -0.0049339200000000, -0.0043418100000000, -0.0012148400000000 ] - [ 0.0002075600000000, 0.0005709300000000, 0.0003004200000000 ] - [ -0.0001548000000000, 0.0010682800000000, 0.0019816100000000 ] - [ 0.0000458600000000, 0.0007577800000000, -0.0017076400000000 ] - [ 0.0000484200000000, 0.0003477000000000, 0.0000341600000000 ] - [ 0.0004876700000000, -0.0002397600000000, 0.0003829300000000 ] - [ 0.0008596400000000, -0.0005512000000000, -0.0003119300000000 ] - [ -0.0012174300000000, -0.0009691400000000, -0.0003234000000000 ] - [ -0.0002625700000000, 0.0001860800000000, -0.0003582000000000 ] - [ -0.0001136000000000, -0.0006016300000000, 0.0002661000000000 ] - [ 0.0018664300000000, 0.0089979700000000, -0.0003357900000000 ] - [ -0.0000935800000000, 0.0001103700000000, 0.0000893800000000 ] - [ -0.0002847700000000, 0.0005315000000000, 0.0001607700000000 ] - [ 0.0000034000000000, 0.0001039200000000, 0.0017873700000000 ] - [ 0.0001133900000000, 0.0026953100000000, 0.0035366200000000 ] - [ 0.0001964100000000, 0.0006388700000000, 0.0005420700000000 ] - [ -0.0002424300000000, -0.0002628800000000, -0.0001336200000000 ] - [ -0.0005742900000000, 0.0004597900000000, 0.0003152700000000 ] - [ 0.0002959500000000, 0.0004736200000000, 0.0001186100000000 ] - [ 0.0016653200000000, -0.0007588500000000, 0.0064372800000000 ] - [ 0.0003483400000000, -0.0003273300000000, 0.0002824000000000 ] - [ -0.0004294800000000, 0.0001402700000000, 0.0008631400000000 ] - [ -0.0001282100000000, -0.0001495600000000, -0.0014140600000000 ] - [ 0.0003209800000000, 0.0002797700000000, -0.0008300000000000 ] - [ 0.0001568200000000, -0.0013659900000000, -0.0013392900000000 ] - [ -0.0003236100000000, -0.0004388800000000, 0.0007155500000000 ] - [ 0.0003355200000000, -0.0003408100000000, -0.0009048900000000 ] - [ -0.0002607900000000, 0.0002670000000000, -0.0028096600000000 ] - [ -0.0000600800000000, -0.0001928700000000, -0.0011088800000000 ] - [ -0.0001249600000000, 0.0001892600000000, 0.0007334500000000 ] - [ -0.0004269700000000, 0.0002784700000000, 0.0026341700000000 ] - [ 0.0003431600000000, -0.0006474700000000, -0.0000022300000000 ] - [ 0.0004181200000000, -0.0021582800000000, -0.0001351700000000 ] - [ 0.0003483900000000, 0.0001806200000000, 0.0013206500000000 ] - [ -0.0002791400000000, -0.0007031800000000, 0.0002505300000000 ] - [ -0.0001018100000000, -0.0004158800000000, 0.0009120400000000 ] - [ -0.0004486800000000, -0.0011143800000000, 0.0003752100000000 ] - [ -0.0001745700000000, -0.0000476700000000, 0.0001545900000000 ] - [ 0.0000886200000000, -0.0004326400000000, 0.0008333000000000 ] - [ 0.0003079700000000, 0.0003301100000000, -0.0001500100000000 ] - [ -0.0004367600000000, 0.0004143900000000, 0.0006394100000000 ] - [ -0.0003436200000000, -0.0003694200000000, -0.0003844800000000 ] - [ 0.0004882100000000, -0.0008007600000000, 0.0010119000000000 ] - [ 0.0001243100000000, -0.0001818900000000, 0.0001495000000000 ] - [ 0.0001697900000000, -0.0000567100000000, 0.0001523500000000 ] - [ -0.0002827800000000, 0.0000767500000000, 0.0006189800000000 ] - [ -0.0001294600000000, -0.0002513700000000, -0.0001283300000000 ] - [ -0.0003072900000000, -0.0004752000000000, -0.0001377800000000 ] - [ -0.0000147600000000, -0.0000571700000000, 0.0010175300000000 ] - [ 0.0001104400000000, -0.0004583400000000, -0.0001300100000000 ] - [ -0.0001487400000000, -0.0000380800000000, 0.0001025300000000 ] - [ 0.0012674200000000, 0.0010388500000000, -0.0001404900000000 ] - [ 0.0005936100000000, 0.0009007700000000, 0.0003384700000000 ] - [ 0.0004302600000000, 0.0010882500000000, 0.0003763900000000 ] - [ 0.0004596200000000, 0.0002370800000000, 0.0002035400000000 ] - [ 0.0002983700000000, 0.0002380600000000, 0.0006844000000000 ] - [ 0.0000028600000000, -0.0000491000000000, -0.0001533000000000 ] - [ -0.0001260700000000, 0.0002290300000000, -0.0002108900000000 ] - [ -0.0001020200000000, -0.0004689300000000, -0.0001908800000000 ] - [ -0.0005749900000000, -0.0008092700000000, 0.0003078600000000 ] - [ 0.0001174100000000, 0.0006598100000000, 0.0004941300000000 ] - [ 0.0005616800000000, -0.0007031300000000, 0.0002298400000000 ] - [ 0.0005033500000000, -0.0000715800000000, -0.0000819300000000 ] - [ -0.0009244900000000, -0.0007578100000000, -0.0001976800000000 ] - [ -0.0004081800000000, 0.0003677500000000, 0.0001859700000000 ] - [ 0.0000952700000000, -0.0012464400000000, 0.0013712000000000 ] - [ 0.0001040300000000, 0.0003083000000000, 0.0009570100000000 ] - [ -0.0002034500000000, 0.0005100000000000, 0.0004953000000000 ] - [ -0.0003656500000000, 0.0007398800000000, 0.0009240400000000 ] - [ -0.0000038400000000, -0.0000644900000000, 0.0009339700000000 ] - [ 0.0004597200000000, -0.0009824300000000, 0.0003673100000000 ] - [ 0.0000841500000000, 0.0003280200000000, -0.0001918500000000 ] - [ -0.0008377800000000, 0.0004183600000000, -0.0001927200000000 ] - [ -0.0005381600000000, 0.0000585300000000, 0.0002382600000000 ] - [ 0.0003133600000000, -0.0002239200000000, 0.0006951200000000 ] - [ 0.0001257600000000, -0.0002862000000000, -0.0001366400000000 ] - [ 0.0003262400000000, -0.0005636300000000, -0.0002571500000000 ] - [ -0.0003096400000000, 0.0003272200000000, -0.0002009200000000 ] - [ 0.0001402100000000, -0.0005917700000000, 0.0003505700000000 ] - [ 0.0004742600000000, 0.0005555700000000, 0.0005784600000000 ] - [ -0.0003129600000000, 0.0001778800000000, -0.0005029600000000 ] - [ -0.0003308600000000, -0.0011902600000000, 0.0012081400000000 ] - [ 0.0003239500000000, -0.0001489500000000, -0.0001393300000000 ] - [ -0.0003860900000000, -0.0003440700000000, -0.0000140800000000 ] - [ -0.0000844200000000, 0.0001611200000000, -0.0000188200000000 ] - [ -0.0000005700000000, -0.0000570400000000, -0.0002335600000000 ] - [ -0.0000599500000000, 0.0002268800000000, 0.0008032100000000 ] - [ 0.0001221000000000, 0.0000677500000000, -0.0000923800000000 ] - [ 0.0002649400000000, 0.0002956200000000, 0.0004945400000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003455300000000, -0.0002301600000000, -0.0006295900000000 ] - [ 0.0005128300000000, -0.0007044600000000, -0.0005791500000000 ] - [ 0.0116563700000000, 0.0082043100000000, -0.0049236800000000 ] - [ -0.0001150600000000, 0.0001171600000000, -0.0013535700000000 ] - [ 0.0005258600000000, 0.0004549100000000, 0.0018789300000000 ] - [ 0.0026586100000000, -0.0012762000000000, 0.0033825100000000 ] - [ -0.0010020400000000, -0.0007611600000000, 0.0018274400000000 ] - [ -0.0011846100000000, 0.0023731400000000, 0.0011459300000000 ] - [ -0.0005135900000000, 0.0001043800000000, -0.0012101000000000 ] - [ 0.0006648300000000, 0.0005741200000000, -0.0000361300000000 ] - [ -0.0005649700000000, -0.0008868200000000, -0.0001529600000000 ] - [ -0.0000554000000000, -0.0003318700000000, 0.0005637900000000 ] - [ 0.0008976000000000, 0.0012465100000000, -0.0008031800000000 ] - [ 0.0015108300000000, 0.0019683100000000, 0.0016429800000000 ] - [ -0.0032393700000000, 0.0025869200000000, -0.0022803200000000 ] - [ 0.0003627400000000, -0.0001931600000000, -0.0006545000000000 ] - [ 0.0003279900000000, -0.0003708800000000, 0.0000853500000000 ] - [ 0.0006504800000000, -0.0005970300000000, 0.0001624400000000 ] - [ -0.0006601200000000, 0.0005371400000000, 0.0000677300000000 ] - [ -0.0003699300000000, 0.0000587800000000, -0.0003562200000000 ] - [ 0.0000332800000000, -0.0000919300000000, -0.0000708900000000 ] - [ 0.0000105000000000, -0.0001369100000000, 0.0002929800000000 ] - [ -0.0000191200000000, -0.0001421100000000, 0.0005425300000000 ] - [ 0.0000063100000000, -0.0000621600000000, 0.0005650800000000 ] - [ -0.0003958200000000, -0.0000691200000000, -0.0003547900000000 ] - [ 0.0003844000000000, 0.0007933300000000, 0.0014960600000000 ] - [ -0.0006058000000000, -0.0007853200000000, 0.0005052900000000 ] - [ -0.0001180200000000, -0.0002736600000000, -0.0001610400000000 ] - [ 0.0000185200000000, 0.0001050600000000, 0.0001684100000000 ] - [ 0.0000014100000000, -0.0000595400000000, 0.0003188200000000 ] - [ -0.0000257000000000, -0.0001389600000000, 0.0000435700000000 ] - [ 0.0005260700000000, -0.0001896900000000, 0.0001217800000000 ] - [ -0.0003650700000000, 0.0000685900000000, -0.0006969100000000 ] - [ 0.0004036900000000, 0.0001157100000000, 0.0034673500000000 ] - [ 0.0004689700000000, -0.0026799100000000, -0.0007046300000000 ] - [ -0.0022823900000000, 0.0029677000000000, -0.0052768900000000 ] - [ 0.0001076200000000, -0.0002741100000000, -0.0012416100000000 ] - [ 0.0007175700000000, -0.0007922400000000, -0.0003900000000000 ] - [ -0.0003300800000000, -0.0014089600000000, -0.0005807600000000 ] - [ -0.0001455600000000, 0.0002975700000000, -0.0009760100000000 ] - [ 0.0004743600000000, 0.0006693900000000, -0.0002538000000000 ] - [ -0.0003796100000000, -0.0014333400000000, 0.0037153800000000 ] - [ -0.0004554400000000, -0.0017300100000000, -0.0007785600000000 ] - [ -0.0006347400000000, 0.0080677100000000, 0.0059141100000000 ] - [ 0.0007796100000000, 0.0018369700000000, -0.0016522600000000 ] - [ -0.0040061000000000, 0.0304404700000000, -0.0307042900000000 ] - [ -0.0006629000000000, 0.0011745500000000, 0.0023333800000000 ] - [ -0.0002170500000000, 0.0002241300000000, -0.0004811600000000 ] - [ -0.0004723800000000, 0.0005850200000000, -0.0003162800000000 ] - [ 0.0007691600000000, -0.0011308700000000, -0.0000918300000000 ] - [ 0.0003632300000000, -0.0003605900000000, -0.0002631100000000 ] - [ 0.0007244900000000, 0.0007427000000000, 0.0001954600000000 ] - [ 0.0000889500000000, -0.0003737300000000, -0.0005486600000000 ] - [ 0.0001944700000000, -0.0007137800000000, -0.0001637300000000 ] - [ -0.0004201600000000, -0.0004438300000000, -0.0002848100000000 ] - [ 0.0001907700000000, 0.0000497200000000, 0.0009033200000000 ] - [ 0.0005127800000000, 0.0000703500000000, -0.0007611600000000 ] - [ -0.0005014400000000, -0.0002452800000000, -0.0006430600000000 ] - [ -0.0002876200000000, -0.0013189200000000, -0.0003966800000000 ] - [ 0.0004738000000000, -0.0001510600000000, -0.0005481700000000 ] - [ 0.0001721000000000, 0.0005200400000000, -0.0008423100000000 ] - [ -0.0007163000000000, -0.0011912200000000, 0.0001518100000000 ] - [ -0.0007798000000000, 0.0006563000000000, -0.0000896500000000 ] - [ 0.0005271900000000, 0.0025554300000000, 0.0003517100000000 ] - [ 0.0002739800000000, -0.0003964600000000, 0.0003794100000000 ] - [ -0.0000344300000000, -0.0013880000000000, 0.0013550300000000 ] - [ -0.0014782400000000, -0.0026214900000000, 0.0027718100000000 ] - [ -0.0009960200000000, 0.0014726100000000, -0.0008110300000000 ] - [ 0.0015414800000000, -0.0000841600000000, -0.0011667400000000 ] - [ -0.0001169700000000, -0.0000039500000000, -0.0003651800000000 ] - [ -0.0010265700000000, -0.0556828000000000, 0.0509555700000000 ] - [ -0.0005189300000000, 0.0016592200000000, -0.0000465800000000 ] - [ -0.0003509500000000, -0.0000153900000000, -0.0001222000000000 ] - [ 0.0003735400000000, -0.0002080400000000, -0.0000091600000000 ] - [ 0.0003862900000000, 0.0006660500000000, 0.0000944400000000 ] - [ 0.0015364600000000, -0.0002469500000000, -0.0055711800000000 ] - [ -0.0003159600000000, 0.0004833900000000, 0.0007434300000000 ] - [ -0.0026101800000000, -0.0019084300000000, -0.0028702400000000 ] - [ -0.0001933100000000, -0.0001065700000000, 0.0007817400000000 ] - [ 0.0001800900000000, -0.0004869800000000, 0.0039898900000000 ] - [ -0.0049141600000000, 0.0094395900000000, -0.0176280000000000 ] - [ 0.0001049100000000, -0.0005790400000000, 0.0000693700000000 ] - [ 0.0009017200000000, 0.0005183600000000, -0.0002166000000000 ] - [ 0.0007295800000000, 0.0003211900000000, 0.0002625000000000 ] - [ 0.0004290800000000, 0.0005517400000000, 0.0007208100000000 ] - [ 0.0004291500000000, 0.0004883700000000, 0.0002859900000000 ] - [ 0.0003143300000000, 0.0001407500000000, 0.0009547700000000 ] - [ 0.0050124000000000, 0.0043991100000000, 0.0008264800000000 ] - [ -0.0004696200000000, -0.0001630000000000, -0.0005931500000000 ] - [ -0.0000354000000000, -0.0017671700000000, -0.0022496900000000 ] - [ -0.0012316400000000, -0.0021104700000000, 0.0022271200000000 ] - [ 0.0001997100000000, 0.0006854800000000, 0.0005545800000000 ] - [ 0.0006445300000000, -0.0010847900000000, 0.0001309100000000 ] - [ 0.0008827000000000, -0.0006123900000000, -0.0001992400000000 ] - [ -0.0005262000000000, -0.0001912200000000, -0.0001864100000000 ] - [ -0.0004563500000000, 0.0003826500000000, 0.0002138400000000 ] - [ -0.0001348200000000, -0.0004361100000000, 0.0003238600000000 ] - [ -0.0016912800000000, -0.0083304700000000, 0.0020851300000000 ] - [ -0.0001535500000000, 0.0009249000000000, 0.0005020300000000 ] - [ -0.0002701900000000, 0.0006073100000000, 0.0003647800000000 ] - [ -0.0000014800000000, -0.0001015400000000, 0.0001619800000000 ] - [ 0.0008044700000000, -0.0045125000000000, -0.0026852400000000 ] - [ -0.0000058600000000, 0.0000726900000000, -0.0008130000000000 ] - [ -0.0015049700000000, 0.0014139100000000, -0.0003729000000000 ] - [ -0.0005579900000000, 0.0008637100000000, 0.0001989100000000 ] - [ 0.0003009400000000, -0.0008809900000000, 0.0011687600000000 ] - [ -0.0013751400000000, 0.0003433000000000, -0.0066435800000000 ] - [ 0.0002748200000000, -0.0005203700000000, -0.0006567000000000 ] - [ -0.0001930600000000, 0.0007150900000000, -0.0012393000000000 ] - [ 0.0003819700000000, -0.0008808500000000, 0.0020256400000000 ] - [ 0.0003214100000000, 0.0002743500000000, -0.0004598000000000 ] - [ -0.0008007500000000, 0.0019099200000000, 0.0000437500000000 ] - [ -0.0002737800000000, 0.0000290300000000, 0.0005741000000000 ] - [ 0.0003075300000000, -0.0002190700000000, -0.0003857200000000 ] - [ -0.0004512300000000, -0.0008444200000000, 0.0026605700000000 ] - [ -0.0001338300000000, 0.0008985700000000, 0.0008611800000000 ] - [ 0.0001222700000000, -0.0001873100000000, -0.0011228200000000 ] - [ 0.0002524000000000, 0.0004215700000000, -0.0008923100000000 ] - [ -0.0000946500000000, 0.0010679500000000, -0.0002748800000000 ] - [ 0.0001442600000000, 0.0032530700000000, 0.0006963500000000 ] - [ 0.0002058500000000, -0.0013172800000000, -0.0007956900000000 ] - [ -0.0002753500000000, -0.0004426900000000, 0.0002722900000000 ] - [ -0.0000755200000000, -0.0002813500000000, 0.0008403200000000 ] - [ -0.0004669000000000, -0.0006908500000000, 0.0004885400000000 ] - [ -0.0001304700000000, 0.0001052500000000, 0.0001208500000000 ] - [ 0.0000883900000000, -0.0002653100000000, 0.0009195200000000 ] - [ 0.0003156300000000, 0.0005188100000000, -0.0002227600000000 ] - [ -0.0004786000000000, 0.0013845400000000, 0.0002271200000000 ] - [ -0.0002990700000000, -0.0001878600000000, -0.0009073800000000 ] - [ 0.0002309400000000, 0.0002306000000000, -0.0011525900000000 ] - [ 0.0001801900000000, 0.0001207000000000, 0.0001256100000000 ] - [ 0.0001354800000000, 0.0001146800000000, 0.0001234600000000 ] - [ -0.0003139600000000, 0.0003289600000000, 0.0006688300000000 ] - [ -0.0001235000000000, -0.0001629000000000, -0.0001517300000000 ] - [ -0.0003162600000000, -0.0003777100000000, -0.0002348100000000 ] - [ 0.0000147400000000, 0.0000562400000000, 0.0009342800000000 ] - [ 0.0000805700000000, -0.0002491500000000, -0.0001351100000000 ] - [ -0.0001558100000000, -0.0000230200000000, 0.0001725000000000 ] - [ 0.0004737300000000, 0.0001202100000000, -0.0003695800000000 ] - [ 0.0005385000000000, 0.0004205800000000, 0.0001747700000000 ] - [ 0.0004851700000000, 0.0007125100000000, 0.0004897800000000 ] - [ 0.0002596400000000, 0.0003325700000000, -0.0003469200000000 ] - [ 0.0002988600000000, 0.0001638400000000, 0.0006000900000000 ] - [ -0.0000029700000000, 0.0000483100000000, -0.0002328200000000 ] - [ -0.0001263600000000, 0.0001827100000000, -0.0000692700000000 ] - [ -0.0000889300000000, -0.0002383800000000, -0.0000738500000000 ] - [ -0.0005571800000000, -0.0005150000000000, 0.0002057900000000 ] - [ 0.0001312900000000, 0.0003751300000000, 0.0000925700000000 ] - [ 0.0005706600000000, -0.0006225100000000, 0.0002837800000000 ] - [ 0.0012415700000000, -0.0010917100000000, -0.0004286300000000 ] - [ -0.0008176600000000, -0.0004026400000000, -0.0003126700000000 ] - [ -0.0003113200000000, 0.0002029100000000, -0.0003331800000000 ] - [ -0.0003439200000000, 0.0002095200000000, -0.0007800800000000 ] - [ 0.0000729600000000, 0.0003859800000000, 0.0007951700000000 ] - [ -0.0000445800000000, 0.0005243500000000, 0.0000935900000000 ] - [ -0.0001883000000000, 0.0004104600000000, -0.0004060300000000 ] - [ 0.0000038100000000, 0.0000630000000000, 0.0010181200000000 ] - [ 0.0004556300000000, -0.0008240200000000, 0.0004953400000000 ] - [ 0.0001065000000000, 0.0003747900000000, -0.0000720500000000 ] - [ -0.0009054400000000, 0.0007421900000000, -0.0003174000000000 ] - [ -0.0005941100000000, 0.0012600000000000, 0.0002752200000000 ] - [ 0.0002837800000000, -0.0001817800000000, 0.0005890900000000 ] - [ 0.0001268600000000, -0.0001278300000000, -0.0001428000000000 ] - [ 0.0002977300000000, -0.0002894200000000, -0.0001153900000000 ] - [ -0.0003139100000000, 0.0005212900000000, -0.0001718200000000 ] - [ 0.0001078700000000, -0.0004454400000000, 0.0002388100000000 ] - [ 0.0001682100000000, 0.0000005600000000, -0.0018723700000000 ] - [ -0.0003297000000000, 0.0003783800000000, -0.0007886700000000 ] - [ -0.0002673900000000, 0.0007826900000000, 0.0000797900000000 ] - [ 0.0003190800000000, -0.0004087100000000, -0.0011518700000000 ] - [ -0.0003332100000000, -0.0002281500000000, -0.0001301500000000 ] - [ -0.0001060200000000, 0.0005416100000000, -0.0002448300000000 ] - [ 0.0000001700000000, 0.0000555800000000, -0.0001522400000000 ] - [ -0.0001169600000000, 0.0004669800000000, 0.0009491200000000 ] - [ 0.0001305700000000, 0.0003438200000000, -0.0001873700000000 ] - [ 0.0002897000000000, 0.0008435600000000, 0.0000310000000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003608700000000, -0.0001502500000000, -0.0004944400000000 ] - [ 0.0006234600000000, -0.0007465200000000, 0.0000028300000000 ] - [ -0.0019496800000000, -0.0002245100000000, -0.0003749600000000 ] - [ 0.0049091400000000, -0.0033377900000000, 0.0004838000000000 ] - [ 0.0000973200000000, 0.0000217500000000, 0.0000130000000000 ] - [ 0.0000075500000000, -0.0001145900000000, 0.0003283100000000 ] - [ 0.0000066100000000, -0.0000842600000000, 0.0005393500000000 ] - [ -0.0000035900000000, -0.0001349800000000, 0.0005397200000000 ] - [ 0.0085297900000000, 0.0054229800000000, -0.0044926100000000 ] - [ 0.0006493600000000, 0.0005332600000000, 0.0000082700000000 ] - [ -0.0004939200000000, -0.0011526700000000, 0.0004173100000000 ] - [ -0.0000490600000000, -0.0000782000000000, 0.0000030500000000 ] - [ 0.0000574000000000, -0.0000935200000000, -0.0000076500000000 ] - [ 0.0000410000000000, -0.0000475800000000, 0.0002589500000000 ] - [ 0.0009687200000000, 0.0011008300000000, 0.0005701000000000 ] - [ 0.0003773900000000, -0.0000521700000000, -0.0004982700000000 ] - [ 0.0003086800000000, 0.0000508300000000, -0.0004144100000000 ] - [ 0.0007331300000000, -0.0004700800000000, 0.0000703900000000 ] - [ -0.0006468700000000, 0.0005810700000000, 0.0000237700000000 ] - [ -0.0003779000000000, -0.0000449500000000, -0.0004879700000000 ] - [ 0.0000620600000000, -0.0001677800000000, -0.0000191100000000 ] - [ 0.0001005700000000, 0.0000309500000000, 0.0003217600000000 ] - [ -0.0000807000000000, -0.0002253500000000, 0.0006330300000000 ] - [ 0.0000098200000000, 0.0000040600000000, 0.0005232600000000 ] - [ -0.0003616100000000, -0.0001457500000000, -0.0004849800000000 ] - [ 0.0006524500000000, 0.0007067300000000, -0.0000141100000000 ] - [ -0.0006326500000000, -0.0007273900000000, 0.0000155300000000 ] - [ -0.0014829900000000, 0.0029103900000000, -0.0011832000000000 ] - [ -0.0000565700000000, 0.0001534700000000, -0.0000276400000000 ] - [ -0.0000426700000000, -0.0000035600000000, 0.0002512900000000 ] - [ -0.0000364700000000, -0.0000812800000000, -0.0000016100000000 ] - [ 0.0003810400000000, 0.0001589500000000, -0.0007702400000000 ] - [ -0.0002816000000000, -0.0002978200000000, -0.0004382300000000 ] - [ 0.0007578100000000, -0.0010821800000000, 0.0000077100000000 ] - [ -0.0180411500000000, -0.0037439600000000, 0.0017017100000000 ] - [ 0.0006887100000000, 0.0006870300000000, 0.0001761600000000 ] - [ -0.0071808400000000, -0.0011682400000000, 0.0000960300000000 ] - [ 0.0280137300000000, 0.0063344900000000, 0.0117041000000000 ] - [ -0.0004635800000000, -0.0002175900000000, -0.0005002500000000 ] - [ -0.0001633000000000, 0.0004003300000000, -0.0009413300000000 ] - [ 0.0004718000000000, -0.0001838000000000, -0.0005361800000000 ] - [ -0.0008380200000000, 0.0001632900000000, -0.0004441100000000 ] - [ -0.0001925500000000, -0.0007957100000000, -0.0008196100000000 ] - [ -0.0011842400000000, -0.0000141600000000, -0.0001743400000000 ] - [ 0.0054748200000000, 0.0002299300000000, -0.0008188900000000 ] - [ -0.0007297700000000, -0.0010847000000000, 0.0000270500000000 ] - [ -0.0007574100000000, 0.0007488600000000, 0.0000572800000000 ] - [ -0.0003369100000000, -0.0001610800000000, -0.0004227900000000 ] - [ -0.0001582200000000, 0.0001837500000000, -0.0003461300000000 ] - [ 0.0009245600000000, -0.0006834200000000, -0.0002138600000000 ] - [ 0.0003338200000000, -0.0001306700000000, -0.0004132300000000 ] - [ 0.0006529000000000, 0.0007801400000000, 0.0004929200000000 ] - [ 0.0001902700000000, -0.0007887000000000, -0.0008288300000000 ] - [ 0.0002843000000000, -0.0002706700000000, -0.0004446300000000 ] - [ 0.0003823900000000, -0.0016184800000000, -0.0006288400000000 ] - [ 0.0001361900000000, 0.0006870400000000, -0.0012920900000000 ] - [ 0.0019516100000000, 0.0001237900000000, -0.0010806300000000 ] - [ -0.0004937100000000, -0.0001790700000000, -0.0006184600000000 ] - [ -0.0004132200000000, 0.0002191500000000, -0.0009628400000000 ] - [ 0.0004703400000000, -0.0001534200000000, -0.0005301500000000 ] - [ 0.0001600000000000, 0.0004000800000000, -0.0008926700000000 ] - [ -0.0007668300000000, -0.0008379900000000, 0.0000931600000000 ] - [ -0.0011599000000000, -0.0000291400000000, -0.0004411300000000 ] - [ -0.0005596300000000, 0.0003190500000000, -0.0009519800000000 ] - [ 0.0002847900000000, -0.0003927600000000, 0.0003828700000000 ] - [ -0.0007970700000000, -0.0003636500000000, 0.0003283600000000 ] - [ -0.0001174500000000, -0.0001082900000000, 0.0008590800000000 ] - [ 0.0016558200000000, -0.0000974300000000, 0.0006601700000000 ] - [ -0.0000928600000000, 0.0001631300000000, 0.0000510400000000 ] - [ 0.0000822200000000, -0.0002982600000000, 0.0008625300000000 ] - [ 0.0006603000000000, 0.0003868200000000, -0.0001562700000000 ] - [ -0.0004547600000000, 0.0010432600000000, 0.0003667200000000 ] - [ -0.0623340700000000, -0.0099750200000000, -0.0124109400000000 ] - [ 0.0003483900000000, -0.0002174500000000, -0.0000586300000000 ] - [ 0.0001663300000000, 0.0000503800000000, 0.0001506200000000 ] - [ 0.0002244700000000, 0.0000851100000000, 0.0002397900000000 ] - [ -0.0003050100000000, 0.0003157700000000, 0.0006800700000000 ] - [ -0.0001321200000000, -0.0000364000000000, -0.0004620100000000 ] - [ -0.0002991400000000, -0.0002942600000000, -0.0001856800000000 ] - [ 0.0000679000000000, 0.0000439500000000, 0.0009493400000000 ] - [ 0.0000992100000000, -0.0003290300000000, -0.0000989900000000 ] - [ -0.0001706300000000, 0.0000466600000000, 0.0001578500000000 ] - [ 0.0008678500000000, 0.0006490000000000, -0.0002586600000000 ] - [ 0.0005705200000000, 0.0007535900000000, 0.0002704900000000 ] - [ 0.0004529200000000, 0.0010392500000000, 0.0003778700000000 ] - [ 0.0003663600000000, 0.0003498100000000, -0.0000706200000000 ] - [ -0.0006926300000000, -0.0000048200000000, 0.0005704000000000 ] - [ -0.0001069200000000, 0.0000373600000000, -0.0002116500000000 ] - [ -0.0001250600000000, 0.0002779200000000, -0.0001242000000000 ] - [ -0.0000537000000000, -0.0002069200000000, -0.0001040200000000 ] - [ -0.0033658200000000, 0.0036447400000000, 0.0029540600000000 ] - [ 0.0056468800000000, 0.0064941800000000, 0.0057184300000000 ] - [ 0.0006221700000000, -0.0007632200000000, 0.0002606800000000 ] - [ 0.0008756900000000, -0.0005111500000000, -0.0002510900000000 ] - [ 0.0168628900000000, 0.0026275700000000, 0.0115396200000000 ] - [ 0.0059378700000000, -0.0068073500000000, -0.0045555900000000 ] - [ -0.0001137900000000, -0.0004425900000000, 0.0002918400000000 ] - [ 0.0000862800000000, 0.0004127600000000, 0.0008822700000000 ] - [ -0.0001281300000000, 0.0005943500000000, 0.0003079900000000 ] - [ 0.0006699800000000, 0.0000381800000000, 0.0003968100000000 ] - [ -0.0000213900000000, 0.0000410700000000, 0.0009745900000000 ] - [ 0.0006091900000000, -0.0011194200000000, 0.0006356200000000 ] - [ 0.0001038700000000, 0.0004363300000000, -0.0001388500000000 ] - [ 0.0082351400000000, -0.0058230800000000, -0.0103102800000000 ] - [ -0.0005699800000000, 0.0007443300000000, 0.0002665300000000 ] - [ 0.0007062000000000, -0.0001521800000000, 0.0013099800000000 ] - [ 0.0001040200000000, -0.0004688200000000, -0.0000958200000000 ] - [ 0.0003086300000000, -0.0003508400000000, -0.0001779600000000 ] - [ -0.0003150900000000, 0.0004661400000000, -0.0001892300000000 ] - [ -0.0002335500000000, 0.0058663200000000, -0.0034739700000000 ] - [ 0.0003331500000000, 0.0003475000000000, -0.0006407700000000 ] - [ 0.0037968100000000, -0.0000253800000000, -0.0006826200000000 ] - [ -0.0002929900000000, -0.0000999500000000, 0.0006154400000000 ] - [ 0.0003091500000000, -0.0002068100000000, -0.0006423900000000 ] - [ -0.0018990500000000, -0.0051755600000000, 0.0022071200000000 ] - [ -0.0000963400000000, 0.0005049100000000, -0.0001978900000000 ] - [ 0.0000109300000000, 0.0000360600000000, -0.0001868800000000 ] - [ -0.0000879200000000, 0.0004041900000000, 0.0008530600000000 ] - [ 0.0001363900000000, 0.0002644800000000, -0.0001479400000000 ] - [ 0.0002768900000000, 0.0007160600000000, 0.0001972500000000 ] - [ 0.0002785500000000, -0.0004274200000000, 0.0003766000000000 ] - [ -0.0002612800000000, -0.0003860900000000, 0.0002538900000000 ] - [ -0.0000883800000000, -0.0003238100000000, 0.0008712800000000 ] - [ -0.0004610800000000, -0.0007834700000000, 0.0004827300000000 ] - [ -0.0001042600000000, 0.0001291000000000, 0.0001046800000000 ] - [ 0.0000707300000000, -0.0000707900000000, 0.0007627500000000 ] - [ 0.0003159500000000, 0.0004618600000000, -0.0002092200000000 ] - [ -0.0046669600000000, 0.0029670400000000, -0.0040853500000000 ] - [ -0.0003112100000000, -0.0002185300000000, -0.0006549700000000 ] - [ 0.0004123600000000, -0.0004108600000000, -0.0000095900000000 ] - [ 0.0002890400000000, -0.0000891000000000, 0.0002673500000000 ] - [ 0.0001387600000000, 0.0000869600000000, 0.0001388000000000 ] - [ -0.0009044500000000, 0.0002076100000000, 0.0015907000000000 ] - [ -0.0001606600000000, -0.0001212700000000, -0.0001830200000000 ] - [ -0.0002765600000000, -0.0004736100000000, -0.0003419800000000 ] - [ -0.0000634800000000, 0.0000006700000000, 0.0009373300000000 ] - [ 0.0000861600000000, -0.0003334600000000, -0.0001753500000000 ] - [ -0.0001047800000000, -0.0000426500000000, 0.0001728700000000 ] - [ 0.0008289100000000, 0.0004683900000000, -0.0003249300000000 ] - [ 0.0004530500000000, 0.0005398800000000, 0.0002338600000000 ] - [ 0.0003810300000000, 0.0006373800000000, 0.0004969700000000 ] - [ 0.0004322300000000, -0.0001044700000000, 0.0000209000000000 ] - [ 0.0003034000000000, 0.0003095000000000, 0.0006670100000000 ] - [ 0.0000804900000000, 0.0000076500000000, -0.0002613500000000 ] - [ 0.0001317400000000, 0.0002184700000000, 0.0001234500000000 ] - [ -0.0001482300000000, -0.0002774500000000, -0.0000317100000000 ] - [ -0.0005628800000000, -0.0005809100000000, 0.0002465900000000 ] - [ 0.0001275900000000, 0.0005872800000000, 0.0003085700000000 ] - [ 0.0005653200000000, -0.0005522400000000, 0.0002408200000000 ] - [ 0.0009923400000000, -0.0006824000000000, -0.0001501500000000 ] - [ -0.0008754400000000, -0.0005188100000000, -0.0002523000000000 ] - [ -0.0003657200000000, 0.0003448400000000, -0.0000709700000000 ] - [ -0.0002655300000000, -0.0004959900000000, 0.0003029600000000 ] - [ 0.0000941100000000, 0.0003089000000000, 0.0008923300000000 ] - [ -0.0001531400000000, 0.0002935900000000, 0.0002730800000000 ] - [ -0.0002811000000000, 0.0006986600000000, 0.0002094100000000 ] - [ 0.0001086200000000, 0.0002540400000000, 0.0011691000000000 ] - [ 0.0004629500000000, -0.0007607200000000, 0.0004830400000000 ] - [ 0.0001532100000000, 0.0002876300000000, 0.0000779900000000 ] - [ -0.0008670200000000, 0.0006411300000000, -0.0002591300000000 ] - [ 0.0053542100000000, -0.0006546300000000, -0.0017448000000000 ] - [ 0.0002936200000000, -0.0000952600000000, 0.0006122100000000 ] - [ 0.0001236500000000, -0.0001584300000000, -0.0001233200000000 ] - [ -0.0012026600000000, 0.0012565900000000, 0.0002937500000000 ] - [ -0.0003369700000000, 0.0005049200000000, -0.0002000400000000 ] - [ 0.0001127700000000, -0.0004403900000000, 0.0002713700000000 ] - [ 0.0003225200000000, 0.0002295400000000, -0.0006170100000000 ] - [ -0.0003297400000000, 0.0003357000000000, -0.0006494100000000 ] - [ 0.0018847500000000, -0.0002121200000000, 0.0013072600000000 ] - [ 0.0003337300000000, -0.0003906900000000, -0.0006400200000000 ] - [ -0.0003441600000000, -0.0002209100000000, -0.0000876400000000 ] - [ -0.0002580000000000, 0.0011916500000000, -0.0003730900000000 ] - [ -0.0002603200000000, 0.0001759400000000, -0.0000373100000000 ] - [ 0.0000724300000000, 0.0003062400000000, 0.0009020300000000 ] - [ -0.0003100200000000, -0.0000629300000000, 0.0002448200000000 ] - [ 0.0002519400000000, 0.0003995300000000, 0.0003132000000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003774900000000, 0.0000520200000000, -0.0004899900000000 ] - [ 0.0006675600000000, -0.0005447900000000, 0.0000217700000000 ] - [ 0.0006802300000000, 0.0015140800000000, 0.0003896000000000 ] - [ -0.0059314100000000, 0.0035924200000000, -0.0017294900000000 ] - [ -0.0000185300000000, -0.0000485100000000, -0.0000263300000000 ] - [ -0.0000073100000000, 0.0001140400000000, 0.0002817700000000 ] - [ -0.0000068900000000, 0.0000835500000000, 0.0005670800000000 ] - [ 0.0000029300000000, 0.0001370600000000, 0.0005671700000000 ] - [ -0.0087873000000000, -0.0053130900000000, 0.0030386700000000 ] - [ 0.0006417400000000, 0.0007602500000000, 0.0000152200000000 ] - [ -0.0008213300000000, -0.0002232900000000, -0.0004016100000000 ] - [ -0.0000300700000000, 0.0001048200000000, -0.0000173600000000 ] - [ 0.0000215600000000, 0.0001206000000000, -0.0000076900000000 ] - [ -0.0000414100000000, 0.0000484300000000, 0.0003528000000000 ] - [ -0.0010633900000000, -0.0011188500000000, -0.0005906300000000 ] - [ 0.0003602900000000, 0.0001521200000000, -0.0004862200000000 ] - [ 0.0004257400000000, -0.0001485700000000, -0.0005690200000000 ] - [ 0.0005593100000000, -0.0008215200000000, -0.0000405000000000 ] - [ -0.0006439900000000, 0.0007112500000000, 0.0000022600000000 ] - [ -0.0003605700000000, 0.0001439000000000, -0.0004956400000000 ] - [ 0.0000167500000000, 0.0001429200000000, 0.0000033800000000 ] - [ -0.0000976800000000, -0.0000323800000000, 0.0002838300000000 ] - [ 0.0000782300000000, 0.0002214500000000, 0.0004702500000000 ] - [ -0.0000103600000000, -0.0000007900000000, 0.0005852700000000 ] - [ -0.0003763600000000, 0.0000466700000000, -0.0004987900000000 ] - [ 0.0006389600000000, 0.0005851300000000, 0.0000401700000000 ] - [ -0.0006583900000000, -0.0005647700000000, 0.0000092900000000 ] - [ 0.0014122700000000, -0.0028693900000000, 0.0011622600000000 ] - [ 0.0001355400000000, -0.0001272600000000, 0.0000177200000000 ] - [ 0.0000431700000000, 0.0000064500000000, 0.0003618100000000 ] - [ -0.0000430800000000, 0.0000554000000000, -0.0000116200000000 ] - [ 0.0003596100000000, -0.0000596400000000, -0.0002147700000000 ] - [ -0.0003401900000000, 0.0001721600000000, -0.0004226100000000 ] - [ 0.0007370500000000, -0.0007770600000000, 0.0000813200000000 ] - [ 0.0186271900000000, 0.0038336400000000, -0.0025901500000000 ] - [ 0.0008063600000000, 0.0011741400000000, -0.0000925600000000 ] - [ 0.0075485100000000, -0.0000559600000000, -0.0018061700000000 ] - [ -0.0275860300000000, -0.0066010500000000, -0.0129771500000000 ] - [ -0.0004924200000000, 0.0002159300000000, -0.0006133900000000 ] - [ -0.0001914600000000, 0.0008197400000000, -0.0007841100000000 ] - [ 0.0004837500000000, 0.0001822900000000, -0.0005762800000000 ] - [ -0.0001179800000000, -0.0001712400000000, -0.0006701800000000 ] - [ -0.0001618800000000, -0.0004205000000000, -0.0009075600000000 ] - [ 0.0021402900000000, 0.0000147400000000, -0.0009394200000000 ] - [ -0.0051262000000000, 0.0009937300000000, -0.0009163400000000 ] - [ -0.0007643900000000, -0.0007731500000000, 0.0000585900000000 ] - [ -0.0007372900000000, 0.0011116700000000, 0.0000325000000000 ] - [ -0.0002849400000000, 0.0002887900000000, -0.0004378000000000 ] - [ -0.0004633400000000, -0.0003135000000000, -0.0005073300000000 ] - [ 0.0005692000000000, -0.0011673400000000, 0.0002965600000000 ] - [ 0.0002877200000000, 0.0002590000000000, -0.0004460400000000 ] - [ 0.0008388400000000, 0.0010743400000000, -0.0003895400000000 ] - [ 0.0001641600000000, -0.0004279400000000, -0.0008974300000000 ] - [ 0.0003374400000000, 0.0001446700000000, -0.0004143400000000 ] - [ -0.0013041500000000, 0.0015454500000000, -0.0004637600000000 ] - [ -0.0004944800000000, 0.0005280200000000, -0.0004216800000000 ] - [ -0.0010013600000000, -0.0001169200000000, -0.0000185400000000 ] - [ -0.0004621700000000, 0.0001859100000000, -0.0004932200000000 ] - [ 0.0000569600000000, -0.0014274800000000, -0.0007729700000000 ] - [ 0.0004850700000000, 0.0001551400000000, -0.0005829000000000 ] - [ 0.0001941700000000, 0.0008155900000000, -0.0008350600000000 ] - [ -0.0007281900000000, -0.0010193700000000, -0.0000009000000000 ] - [ -0.0003333200000000, 0.0018928000000000, 0.0005245100000000 ] - [ -0.0000622600000000, -0.0001909600000000, 0.0000895300000000 ] - [ 0.0002695300000000, -0.0007520300000000, 0.0001412400000000 ] - [ 0.0002451100000000, -0.0007752700000000, 0.0002006700000000 ] - [ -0.0000597600000000, -0.0005909200000000, 0.0008956700000000 ] - [ -0.0025721400000000, -0.0016726100000000, 0.0002178300000000 ] - [ -0.0002123100000000, -0.0001017000000000, 0.0002234900000000 ] - [ 0.0000944200000000, -0.0003968100000000, 0.0008884300000000 ] - [ -0.0000349300000000, 0.0004666100000000, -0.0002161900000000 ] - [ -0.0004606200000000, 0.0007589800000000, 0.0004980700000000 ] - [ 0.0616103000000000, 0.0091767500000000, 0.0121397100000000 ] - [ 0.0003712300000000, -0.0003542200000000, -0.0000847300000000 ] - [ 0.0001387200000000, -0.0001098500000000, 0.0001248900000000 ] - [ 0.0000750100000000, -0.0000261600000000, 0.0000285000000000 ] - [ -0.0002923500000000, 0.0000884300000000, 0.0006057000000000 ] - [ -0.0001193400000000, -0.0003750000000000, 0.0001804300000000 ] - [ -0.0003246100000000, -0.0005576900000000, -0.0001862200000000 ] - [ -0.0000679400000000, -0.0000446200000000, 0.0010038700000000 ] - [ 0.0000917100000000, -0.0003750800000000, -0.0001637300000000 ] - [ -0.0001334800000000, -0.0001064100000000, 0.0001173000000000 ] - [ 0.0008748100000000, 0.0005114700000000, -0.0002517000000000 ] - [ 0.0005617700000000, 0.0005690200000000, 0.0002431300000000 ] - [ 0.0004628400000000, 0.0007624400000000, 0.0004874300000000 ] - [ 0.0003531800000000, 0.0002207800000000, -0.0000725700000000 ] - [ 0.0012925200000000, 0.0004156100000000, 0.0007066600000000 ] - [ 0.0001070300000000, -0.0000374300000000, -0.0001737000000000 ] - [ -0.0001273200000000, 0.0001347800000000, -0.0001557200000000 ] - [ -0.0001370000000000, -0.0004964700000000, -0.0001611600000000 ] - [ 0.0021879100000000, -0.0049925200000000, -0.0024759700000000 ] - [ -0.0054478500000000, -0.0055382200000000, -0.0052054300000000 ] - [ 0.0005097500000000, -0.0005574000000000, 0.0002509700000000 ] - [ 0.0008669700000000, -0.0006496700000000, -0.0002591400000000 ] - [ -0.0183609500000000, -0.0037888800000000, -0.0118086400000000 ] - [ -0.0066233600000000, 0.0073148500000000, 0.0043725200000000 ] - [ -0.0001342300000000, -0.0005941700000000, 0.0002974900000000 ] - [ 0.0000908100000000, 0.0002825000000000, 0.0008705300000000 ] - [ -0.0001200300000000, 0.0004413800000000, 0.0002811300000000 ] - [ -0.0012221700000000, 0.0010884100000000, 0.0001348500000000 ] - [ 0.0000217400000000, -0.0000411800000000, 0.0009762300000000 ] - [ 0.0003062700000000, -0.0006795600000000, 0.0002294800000000 ] - [ 0.0000867500000000, 0.0002682700000000, -0.0001253900000000 ] - [ -0.0100463900000000, 0.0071098800000000, 0.0099290900000000 ] - [ -0.0005625500000000, 0.0005784700000000, 0.0002469500000000 ] - [ -0.0001255000000000, -0.0002256200000000, -0.0000034200000000 ] - [ 0.0001525700000000, 0.0000576000000000, -0.0001867400000000 ] - [ 0.0003148300000000, -0.0005005400000000, -0.0001946800000000 ] - [ -0.0003086200000000, 0.0003856800000000, -0.0001843800000000 ] - [ 0.0004860900000000, -0.0068599600000000, 0.0040478000000000 ] - [ 0.0003095700000000, 0.0002090600000000, -0.0006493900000000 ] - [ -0.0044456100000000, 0.0006062500000000, -0.0005840800000000 ] - [ -0.0003045400000000, -0.0003058500000000, 0.0006711300000000 ] - [ 0.0003337200000000, -0.0003505200000000, -0.0006486800000000 ] - [ 0.0011929300000000, 0.0046494600000000, -0.0023612600000000 ] - [ -0.0000944200000000, 0.0001997900000000, -0.0000657000000000 ] - [ -0.0000112100000000, -0.0000363400000000, -0.0001997200000000 ] - [ -0.0000891500000000, 0.0002914400000000, 0.0008987900000000 ] - [ 0.0001162400000000, 0.0001484100000000, -0.0001319800000000 ] - [ 0.0002776200000000, 0.0004255100000000, 0.0003275700000000 ] - [ 0.0002759200000000, -0.0007166400000000, 0.0001453300000000 ] - [ -0.0002929000000000, -0.0007528500000000, 0.0002686800000000 ] - [ -0.0000885700000000, -0.0003717000000000, 0.0008785600000000 ] - [ -0.0004545800000000, -0.0010208700000000, 0.0003805900000000 ] - [ -0.0001997400000000, -0.0000691600000000, 0.0001710000000000 ] - [ 0.0001064800000000, -0.0006276700000000, 0.0009944800000000 ] - [ 0.0003076900000000, 0.0003892500000000, -0.0001646500000000 ] - [ 0.0037682700000000, -0.0011226800000000, 0.0048533800000000 ] - [ -0.0003315900000000, -0.0003387300000000, -0.0006363900000000 ] - [ 0.0003045400000000, -0.0001589500000000, -0.0001368600000000 ] - [ 0.0000203400000000, 0.0000383900000000, 0.0000091000000000 ] - [ 0.0001661700000000, -0.0000286200000000, 0.0001363000000000 ] - [ 0.0003042200000000, 0.0001886500000000, -0.0003476500000000 ] - [ -0.0000921700000000, -0.0002912200000000, -0.0000960100000000 ] - [ -0.0003469200000000, -0.0003769700000000, -0.0000359200000000 ] - [ 0.0000616900000000, -0.0000002600000000, 0.0010121800000000 ] - [ 0.0001040800000000, -0.0003706300000000, -0.0000896300000000 ] - [ -0.0001991400000000, -0.0000215500000000, 0.0000963700000000 ] - [ 0.0009130100000000, 0.0006935100000000, -0.0001870500000000 ] - [ 0.0006793300000000, 0.0007832500000000, 0.0002790800000000 ] - [ 0.0005347900000000, 0.0011689400000000, 0.0003633500000000 ] - [ 0.0002899400000000, 0.0006720600000000, -0.0001640600000000 ] - [ 0.0002940000000000, 0.0000957900000000, 0.0006197400000000 ] - [ -0.0000783600000000, -0.0000070400000000, -0.0001267600000000 ] - [ -0.0003842000000000, 0.0001901700000000, -0.0004117000000000 ] - [ -0.0000424500000000, -0.0004318400000000, -0.0002343900000000 ] - [ -0.0005692500000000, -0.0007424100000000, 0.0002665900000000 ] - [ 0.0001207500000000, 0.0004482900000000, 0.0002807000000000 ] - [ 0.0005668500000000, -0.0007711600000000, 0.0002730700000000 ] - [ 0.0007499400000000, -0.0004777400000000, -0.0003614500000000 ] - [ -0.0008675100000000, -0.0006416600000000, -0.0002583600000000 ] - [ -0.0003535300000000, 0.0002258900000000, -0.0000730200000000 ] - [ 0.0000203900000000, -0.0005364700000000, 0.0002842400000000 ] - [ 0.0000826100000000, 0.0003854800000000, 0.0008569500000000 ] - [ -0.0001002100000000, 0.0007395600000000, 0.0003159800000000 ] - [ -0.0002736600000000, 0.0004433000000000, 0.0003150600000000 ] - [ -0.0001076400000000, -0.0002552600000000, 0.0007858000000000 ] - [ 0.0004522100000000, -0.0010417300000000, 0.0003823800000000 ] - [ 0.0000369300000000, 0.0004138000000000, -0.0003418700000000 ] - [ -0.0008757200000000, 0.0005195000000000, -0.0002513400000000 ] - [ -0.0065238900000000, 0.0019761500000000, 0.0022748300000000 ] - [ 0.0003039300000000, -0.0003097400000000, 0.0006742800000000 ] - [ 0.0001295400000000, -0.0002551700000000, -0.0001573600000000 ] - [ 0.0018266900000000, -0.0021152400000000, -0.0006637700000000 ] - [ -0.0002864900000000, 0.0003441700000000, -0.0001721700000000 ] - [ 0.0001350600000000, -0.0005949400000000, 0.0003179700000000 ] - [ 0.0003203200000000, 0.0003283600000000, -0.0006766100000000 ] - [ -0.0003131100000000, 0.0002211200000000, -0.0006421900000000 ] - [ -0.0024651500000000, -0.0001995900000000, 0.0000098300000000 ] - [ 0.0003089400000000, -0.0001659300000000, -0.0006547000000000 ] - [ -0.0003747700000000, -0.0003496300000000, -0.0000563400000000 ] - [ 0.0000638700000000, -0.0004657700000000, 0.0001019600000000 ] - [ 0.0002601300000000, -0.0001783400000000, -0.0003475900000000 ] - [ -0.0002499700000000, 0.0003888700000000, 0.0008561800000000 ] - [ 0.0005489700000000, 0.0004784600000000, -0.0005110100000000 ] - [ 0.0003023600000000, 0.0007410200000000, 0.0002114200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003188300000000, -0.0006877300000000, -0.0004859800000000 ] - [ 0.0005215200000000, -0.0012965200000000, -0.0000078500000000 ] - [ -0.0042785200000000, -0.0006466500000000, 0.0014932600000000 ] - [ -0.0051838700000000, 0.0051194900000000, -0.0019451300000000 ] - [ 0.0001754900000000, 0.0002616100000000, -0.0000222200000000 ] - [ 0.0000233300000000, -0.0004135000000000, 0.0004899700000000 ] - [ -0.0000544200000000, -0.0004143200000000, 0.0006759400000000 ] - [ 0.0001079800000000, -0.0008612400000000, 0.0003598700000000 ] - [ 0.0056362300000000, 0.0032408400000000, -0.0027508200000000 ] - [ 0.0007334700000000, -0.0000578200000000, 0.0000712400000000 ] - [ -0.0025126900000000, -0.0003980900000000, 0.0002380100000000 ] - [ -0.0000988900000000, -0.0004964900000000, 0.0000209500000000 ] - [ 0.0001050400000000, -0.0007200200000000, 0.0000105100000000 ] - [ 0.0000502900000000, -0.0007622000000000, -0.0000148000000000 ] - [ 0.0026810200000000, -0.0029335400000000, 0.0003845400000000 ] - [ 0.0004261400000000, -0.0005903900000000, -0.0005064100000000 ] - [ 0.0004456500000000, 0.0012407800000000, -0.0006868900000000 ] - [ 0.0007718800000000, -0.0000266200000000, -0.0000770800000000 ] - [ -0.0006982000000000, 0.0002400500000000, 0.0000040300000000 ] - [ -0.0004095800000000, -0.0005085900000000, -0.0004990100000000 ] - [ 0.0000926400000000, -0.0009390800000000, -0.0000058200000000 ] - [ 0.0002120900000000, -0.0005812000000000, 0.0008581400000000 ] - [ -0.0001915600000000, -0.0006832100000000, 0.0010399500000000 ] - [ 0.0000810800000000, -0.0003114700000000, 0.0002296700000000 ] - [ -0.0003282400000000, -0.0006131500000000, -0.0004809400000000 ] - [ 0.0006694500000000, 0.0009932300000000, -0.0000978600000000 ] - [ -0.0005751500000000, -0.0011139400000000, 0.0000005400000000 ] - [ 0.0024428800000000, -0.0005391300000000, 0.0010096100000000 ] - [ -0.0001884900000000, 0.0005613500000000, -0.0002380000000000 ] - [ -0.0001426800000000, -0.0003046800000000, -0.0001278300000000 ] - [ 0.0000249700000000, -0.0004475800000000, -0.0000599400000000 ] - [ 0.0001940300000000, 0.0011847900000000, -0.0007665100000000 ] - [ -0.0001357100000000, -0.0014901300000000, -0.0004240300000000 ] - [ 0.0007955400000000, -0.0017694600000000, -0.0003985100000000 ] - [ 0.0041546500000000, 0.0092596800000000, 0.0005267300000000 ] - [ 0.0006915400000000, -0.0011683000000000, 0.0007459800000000 ] - [ -0.0001979500000000, 0.0006867400000000, -0.0023691000000000 ] - [ 0.0069757500000000, 0.0484479000000000, 0.0450020500000000 ] - [ -0.0003906300000000, -0.0012264500000000, -0.0001792800000000 ] - [ -0.0000937300000000, -0.0006889000000000, -0.0013233600000000 ] - [ 0.0004763400000000, -0.0011081900000000, -0.0004672100000000 ] - [ -0.0006883500000000, -0.0003402800000000, -0.0017761400000000 ] - [ -0.0002587100000000, -0.0017826100000000, -0.0005379700000000 ] - [ 0.0000858000000000, 0.0002609100000000, 0.0008146200000000 ] - [ 0.0004281800000000, 0.0009031000000000, 0.0022557700000000 ] - [ -0.0006628100000000, -0.0027162500000000, 0.0005858000000000 ] - [ -0.0007746400000000, 0.0001994600000000, -0.0000957400000000 ] - [ -0.0004678600000000, -0.0013148100000000, -0.0003471500000000 ] - [ -0.0006404000000000, 0.0024615700000000, 0.0001104000000000 ] - [ 0.0008666600000000, -0.0022839400000000, -0.0005100700000000 ] - [ 0.0004707800000000, -0.0011657000000000, -0.0003586100000000 ] - [ 0.0006348500000000, 0.0003410300000000, 0.0007876300000000 ] - [ 0.0002651500000000, -0.0016977900000000, -0.0006961200000000 ] - [ 0.0001497400000000, -0.0012990900000000, -0.0005674100000000 ] - [ 0.0004530200000000, -0.0027904200000000, 0.0014031700000000 ] - [ 0.0000736000000000, 0.0006017000000000, -0.0036172700000000 ] - [ 0.0008609400000000, 0.0009811300000000, -0.0031808900000000 ] - [ -0.0005649200000000, -0.0012609700000000, -0.0009980900000000 ] - [ -0.0002341100000000, 0.0012508100000000, -0.0003698900000000 ] - [ 0.0005007500000000, -0.0009279100000000, -0.0005143000000000 ] - [ 0.0000800500000000, -0.0004206600000000, -0.0009428100000000 ] - [ -0.0008164800000000, -0.0008811600000000, 0.0000948800000000 ] - [ -0.0016902000000000, -0.0038721100000000, -0.0018755100000000 ] - [ -0.0000167700000000, 0.0024552200000000, -0.0013337600000000 ] - [ 0.0002884400000000, 0.0005472800000000, 0.0008859900000000 ] - [ -0.0003495600000000, 0.0004301900000000, -0.0001634500000000 ] - [ -0.0000203100000000, 0.0008067100000000, 0.0007197200000000 ] - [ -0.0008038700000000, -0.0018516900000000, 0.0011019100000000 ] - [ -0.0001433500000000, 0.0002160400000000, -0.0002941200000000 ] - [ 0.0000734900000000, -0.0001661800000000, 0.0008911500000000 ] - [ 0.0002655700000000, 0.0009173600000000, -0.0004542000000000 ] - [ -0.0004384600000000, 0.0017367100000000, 0.0000605200000000 ] - [ -0.0098435700000000, -0.0650757600000000, -0.0506726800000000 ] - [ 0.0003055500000000, 0.0001619200000000, 0.0000060800000000 ] - [ 0.0002110900000000, 0.0003769300000000, 0.0001596000000000 ] - [ 0.0005435700000000, 0.0005758600000000, 0.0011345700000000 ] - [ -0.0003332800000000, 0.0009028900000000, 0.0008784000000000 ] - [ -0.0000154500000000, -0.0000326300000000, -0.0007497400000000 ] - [ -0.0002763400000000, 0.0003680000000000, -0.0001920400000000 ] - [ 0.0000836900000000, 0.0005253700000000, 0.0008283300000000 ] - [ 0.0000653600000000, -0.0001837500000000, -0.0004479700000000 ] - [ -0.0003060100000000, 0.0005128700000000, 0.0002883100000000 ] - [ 0.0008538800000000, 0.0009917700000000, -0.0002886200000000 ] - [ 0.0005920300000000, 0.0012484200000000, 0.0003430500000000 ] - [ 0.0004308700000000, 0.0017684700000000, 0.0000776700000000 ] - [ 0.0004091400000000, 0.0006923600000000, -0.0001080200000000 ] - [ 0.0001624500000000, -0.0017128800000000, -0.0001725500000000 ] - [ -0.0001654800000000, 0.0004324600000000, -0.0003813200000000 ] - [ -0.0001147600000000, 0.0005913400000000, -0.0000145200000000 ] - [ -0.0000306200000000, 0.0002955800000000, 0.0004712900000000 ] - [ 0.0033224000000000, 0.0128665200000000, 0.0096935300000000 ] - [ 0.0027020000000000, 0.0002871000000000, 0.0028696600000000 ] - [ 0.0005939300000000, -0.0013706900000000, 0.0002153600000000 ] - [ 0.0008922300000000, -0.0001474100000000, -0.0002387200000000 ] - [ -0.0015635900000000, -0.0051015400000000, -0.0007568400000000 ] - [ -0.0019770600000000, -0.0000376900000000, 0.0015905000000000 ] - [ -0.0000737300000000, -0.0000345600000000, 0.0002560300000000 ] - [ 0.0001336700000000, 0.0009359900000000, 0.0008787700000000 ] - [ -0.0001638000000000, 0.0009789900000000, 0.0003548600000000 ] - [ -0.0001839600000000, 0.0005478400000000, 0.0008125900000000 ] - [ -0.0000099400000000, 0.0002058300000000, 0.0010258100000000 ] - [ 0.0003425800000000, -0.0021316400000000, -0.0001101800000000 ] - [ 0.0001755800000000, 0.0008173000000000, -0.0000502100000000 ] - [ -0.0082922100000000, -0.0014005300000000, 0.0052984700000000 ] - [ -0.0005904900000000, 0.0011526900000000, 0.0003200200000000 ] - [ 0.0003619400000000, -0.0022638800000000, 0.0016531500000000 ] - [ -0.0003071600000000, 0.0001632200000000, 0.0007066100000000 ] - [ 0.0002958800000000, 0.0000013300000000, -0.0000886800000000 ] - [ -0.0002946400000000, 0.0005052400000000, -0.0000593700000000 ] - [ -0.0001801700000000, 0.0017802700000000, -0.0024033800000000 ] - [ 0.0003913700000000, 0.0007186800000000, -0.0006559500000000 ] - [ -0.0000030600000000, -0.0016041300000000, -0.0006487600000000 ] - [ -0.0002638100000000, 0.0004604100000000, 0.0004507700000000 ] - [ 0.0002503600000000, 0.0001567300000000, -0.0006585200000000 ] - [ -0.0005023200000000, 0.0014806500000000, -0.0027340300000000 ] - [ -0.0001371500000000, 0.0011358600000000, -0.0005139000000000 ] - [ -0.0000548600000000, 0.0001796700000000, -0.0000440500000000 ] - [ -0.0000975600000000, 0.0006270200000000, 0.0008224100000000 ] - [ 0.0001749000000000, 0.0005420300000000, -0.0001866800000000 ] - [ 0.0002845000000000, 0.0014981100000000, -0.0002229200000000 ] - [ 0.0002692400000000, -0.0001061300000000, 0.0006816100000000 ] - [ -0.0002487500000000, 0.0001617800000000, 0.0004494200000000 ] - [ -0.0001022600000000, -0.0001850900000000, 0.0010208300000000 ] - [ -0.0004760600000000, -0.0000923900000000, 0.0008206900000000 ] - [ 0.0000392200000000, 0.0005344400000000, -0.0000793700000000 ] - [ -0.0000965600000000, 0.0010344100000000, 0.0003666800000000 ] - [ 0.0003291100000000, 0.0007316200000000, -0.0002803100000000 ] - [ -0.0002936600000000, 0.0005936600000000, -0.0122457000000000 ] - [ -0.0002619800000000, 0.0000765300000000, -0.0006695700000000 ] - [ 0.0006886400000000, -0.0006657600000000, 0.0005970700000000 ] - [ 0.0005102900000000, 0.0000441200000000, -0.0001139300000000 ] - [ 0.0000752800000000, 0.0004150300000000, 0.0001614000000000 ] - [ -0.0000998400000000, -0.0011322400000000, 0.0040171200000000 ] - [ -0.0002598900000000, 0.0001796500000000, -0.0004091500000000 ] - [ -0.0003512200000000, -0.0005393600000000, -0.0004676300000000 ] - [ -0.0001243600000000, 0.0000631000000000, 0.0009323300000000 ] - [ 0.0000155900000000, -0.0001278200000000, -0.0003407400000000 ] - [ -0.0002550100000000, -0.0000279900000000, 0.0006465000000000 ] - [ 0.0010907300000000, -0.0001500200000000, -0.0002199000000000 ] - [ 0.0005243500000000, -0.0002378500000000, 0.0003330400000000 ] - [ 0.0005101700000000, -0.0009062300000000, 0.0013615600000000 ] - [ 0.0004790900000000, -0.0003423100000000, -0.0003872300000000 ] - [ 0.0003267600000000, 0.0008147700000000, 0.0007683900000000 ] - [ 0.0001854000000000, 0.0000673600000000, -0.0003414800000000 ] - [ 0.0000563900000000, 0.0001204800000000, 0.0005608000000000 ] - [ -0.0001352000000000, 0.0003880100000000, 0.0003593000000000 ] - [ -0.0005431500000000, -0.0001886700000000, 0.0002236000000000 ] - [ 0.0001483600000000, 0.0009521600000000, 0.0004027100000000 ] - [ 0.0005570400000000, -0.0000128800000000, 0.0001447300000000 ] - [ 0.0006733700000000, -0.0013014800000000, -0.0002534100000000 ] - [ -0.0008888500000000, -0.0001950000000000, -0.0002257600000000 ] - [ -0.0004063700000000, 0.0006445300000000, -0.0000352500000000 ] - [ -0.0004892000000000, -0.0011475900000000, 0.0009737000000000 ] - [ 0.0001401800000000, 0.0003842800000000, 0.0010781600000000 ] - [ -0.0003153500000000, -0.0005080200000000, -0.0000301400000000 ] - [ -0.0002952700000000, 0.0013498400000000, -0.0000090200000000 ] - [ 0.0006461300000000, 0.0009493500000000, 0.0011963600000000 ] - [ 0.0004904800000000, -0.0000868000000000, 0.0007218900000000 ] - [ 0.0002943100000000, 0.0004762000000000, 0.0010433500000000 ] - [ -0.0008517700000000, 0.0009416200000000, -0.0002659500000000 ] - [ 0.0032530300000000, -0.0035858100000000, -0.0020758100000000 ] - [ 0.0002669000000000, 0.0004377800000000, 0.0004620400000000 ] - [ 0.0000906600000000, 0.0001201400000000, -0.0000327200000000 ] - [ -0.0011466000000000, 0.0060202400000000, 0.0014380700000000 ] - [ -0.0003431500000000, 0.0012173300000000, -0.0002496900000000 ] - [ 0.0001025100000000, -0.0000971100000000, 0.0001701000000000 ] - [ 0.0002727500000000, -0.0003245500000000, -0.0005420000000000 ] - [ -0.0003793800000000, 0.0006310400000000, -0.0006167900000000 ] - [ -0.0006999600000000, -0.0023818800000000, 0.0009367400000000 ] - [ 0.0004342800000000, -0.0009412200000000, -0.0004261300000000 ] - [ -0.0003229800000000, 0.0000578100000000, -0.0001366700000000 ] - [ -0.0002139900000000, 0.0016540000000000, -0.0009042100000000 ] - [ -0.0008744500000000, 0.0007854700000000, 0.0003376200000000 ] - [ -0.0001287700000000, 0.0009348300000000, 0.0007486600000000 ] - [ -0.0001636700000000, 0.0002846300000000, -0.0011331900000000 ] - [ 0.0002457600000000, 0.0000538300000000, 0.0004966300000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004206000000000, 0.0005886700000000, -0.0004996100000000 ] - [ 0.0007699500000000, 0.0000037200000000, 0.0000358100000000 ] - [ 0.0029561300000000, 0.0019416800000000, -0.0014460400000000 ] - [ 0.0044129200000000, -0.0050840800000000, 0.0009058600000000 ] - [ -0.0000990200000000, -0.0002854100000000, 0.0000053200000000 ] - [ -0.0000233500000000, 0.0004153800000000, 0.0001192500000000 ] - [ 0.0000546400000000, 0.0004164600000000, 0.0004294800000000 ] - [ -0.0001082700000000, 0.0008607700000000, 0.0007453500000000 ] - [ -0.0063893800000000, -0.0034485100000000, 0.0017479500000000 ] - [ 0.0005582100000000, 0.0013543600000000, -0.0000443700000000 ] - [ 0.0010671300000000, -0.0010995400000000, -0.0001619900000000 ] - [ 0.0000224900000000, 0.0005226300000000, -0.0000360900000000 ] - [ -0.0000283200000000, 0.0007460900000000, -0.0000259000000000 ] - [ -0.0000492300000000, 0.0007629200000000, 0.0006241500000000 ] - [ -0.0027353100000000, 0.0029042600000000, -0.0003945200000000 ] - [ 0.0003125800000000, 0.0006928400000000, -0.0004791300000000 ] - [ 0.0002953200000000, -0.0013405600000000, -0.0002965700000000 ] - [ 0.0005193800000000, -0.0012690600000000, 0.0001085000000000 ] - [ -0.0005930600000000, 0.0010542500000000, 0.0000248600000000 ] - [ -0.0003294200000000, 0.0006099900000000, -0.0004863100000000 ] - [ -0.0000174700000000, 0.0009186800000000, -0.0000100700000000 ] - [ -0.0002124100000000, 0.0005799400000000, -0.0002550100000000 ] - [ 0.0001910400000000, 0.0006809000000000, 0.0000607200000000 ] - [ -0.0000814600000000, 0.0003124400000000, 0.0008795100000000 ] - [ -0.0004106600000000, 0.0005132300000000, -0.0005045300000000 ] - [ 0.0006221900000000, 0.0003019800000000, 0.0001243800000000 ] - [ -0.0007162900000000, -0.0001790900000000, 0.0000272300000000 ] - [ -0.0025464500000000, 0.0005612800000000, -0.0010355900000000 ] - [ 0.0002655800000000, -0.0005387800000000, 0.0002269700000000 ] - [ 0.0001444800000000, 0.0003055700000000, 0.0007419100000000 ] - [ -0.0001018200000000, 0.0004230100000000, 0.0000458300000000 ] - [ 0.0005436800000000, -0.0010822300000000, -0.0002164800000000 ] - [ -0.0004867000000000, 0.0013672300000000, -0.0004345000000000 ] - [ 0.0007007400000000, -0.0000874900000000, 0.0004857500000000 ] - [ -0.0035094400000000, -0.0091389700000000, -0.0013889500000000 ] - [ 0.0008039500000000, 0.0030311400000000, -0.0006545600000000 ] - [ 0.0005500800000000, -0.0019149600000000, 0.0006306500000000 ] - [ -0.0062261900000000, -0.0487130600000000, -0.0447904900000000 ] - [ -0.0005668300000000, 0.0012283100000000, -0.0009319100000000 ] - [ -0.0002584900000000, 0.0019106400000000, -0.0004044300000000 ] - [ 0.0004814900000000, 0.0011089100000000, -0.0006438500000000 ] - [ -0.0002702400000000, 0.0003533700000000, 0.0006706400000000 ] - [ -0.0000931500000000, 0.0005679000000000, -0.0011926800000000 ] - [ 0.0008728700000000, -0.0002538100000000, -0.0019269400000000 ] - [ -0.0000768400000000, 0.0003158800000000, -0.0039819700000000 ] - [ -0.0008329700000000, 0.0008584400000000, -0.0004971300000000 ] - [ -0.0007217500000000, 0.0016619200000000, 0.0001819000000000 ] - [ -0.0001540700000000, 0.0014432600000000, -0.0005112000000000 ] - [ 0.0000198000000000, -0.0025963000000000, -0.0009703500000000 ] - [ 0.0006245600000000, 0.0004213700000000, 0.0005956100000000 ] - [ 0.0001512000000000, 0.0012941700000000, -0.0004983000000000 ] - [ 0.0008595400000000, 0.0015140000000000, -0.0006922200000000 ] - [ 0.0000869700000000, 0.0004826100000000, -0.0010346100000000 ] - [ 0.0004728000000000, 0.0011755400000000, -0.0002889500000000 ] - [ -0.0013908400000000, 0.0027521800000000, -0.0025044000000000 ] - [ -0.0004206200000000, 0.0006168000000000, 0.0018721100000000 ] - [ 0.0000976400000000, -0.0009855900000000, 0.0020854300000000 ] - [ -0.0003926700000000, 0.0012666100000000, -0.0001107300000000 ] - [ -0.0001195200000000, -0.0024808300000000, -0.0013584700000000 ] - [ 0.0004567000000000, 0.0009285800000000, -0.0005975600000000 ] - [ 0.0002721300000000, 0.0016375700000000, -0.0007890700000000 ] - [ -0.0006791300000000, -0.0009820500000000, -0.0000055500000000 ] - [ 0.0002096000000000, 0.0057692700000000, 0.0019761400000000 ] - [ -0.0006056100000000, -0.0023340600000000, 0.0004760900000000 ] - [ 0.0002642700000000, -0.0016869600000000, -0.0003611000000000 ] - [ -0.0002044900000000, -0.0015715600000000, 0.0006839800000000 ] - [ -0.0001527800000000, -0.0015027500000000, 0.0010343500000000 ] - [ -0.0001081800000000, 0.0000303500000000, -0.0002423100000000 ] - [ -0.0001514700000000, -0.0001632300000000, 0.0005658900000000 ] - [ 0.0000994400000000, -0.0005338400000000, 0.0008653800000000 ] - [ 0.0003604400000000, -0.0000694400000000, 0.0000773600000000 ] - [ -0.0004785800000000, 0.0000698700000000, 0.0008042000000000 ] - [ 0.0093173400000000, 0.0647549100000000, 0.0481783000000000 ] - [ 0.0004208000000000, -0.0007319400000000, -0.0001497100000000 ] - [ 0.0000835600000000, -0.0004319400000000, 0.0001107700000000 ] - [ -0.0002449900000000, -0.0005219000000000, -0.0008588700000000 ] - [ -0.0002633300000000, -0.0005022800000000, 0.0004027200000000 ] - [ -0.0002441300000000, -0.0003823700000000, 0.0004695700000000 ] - [ -0.0003472900000000, -0.0012190700000000, -0.0001837900000000 ] - [ -0.0000835600000000, -0.0005255600000000, 0.0011094800000000 ] - [ 0.0001250100000000, -0.0005198200000000, 0.0001895000000000 ] - [ 0.0000118900000000, -0.0005670300000000, -0.0000177100000000 ] - [ 0.0008892100000000, 0.0001575800000000, -0.0002203000000000 ] - [ 0.0005406700000000, 0.0000733400000000, 0.0001736600000000 ] - [ 0.0004866600000000, 0.0000383600000000, 0.0007873200000000 ] - [ 0.0003168600000000, -0.0001242600000000, -0.0000351000000000 ] - [ 0.0004333000000000, 0.0021237300000000, 0.0014585300000000 ] - [ 0.0001654200000000, -0.0004329400000000, 0.0000032300000000 ] - [ -0.0001443700000000, -0.0001779900000000, -0.0002672200000000 ] - [ -0.0001591900000000, -0.0009993300000000, -0.0007285400000000 ] - [ -0.0043556000000000, -0.0138653900000000, -0.0090092300000000 ] - [ -0.0024782700000000, 0.0007765200000000, -0.0023077800000000 ] - [ 0.0005387700000000, 0.0000479300000000, 0.0003030500000000 ] - [ 0.0008505800000000, -0.0010029900000000, -0.0002701500000000 ] - [ -0.0002431800000000, 0.0039303100000000, 0.0002027100000000 ] - [ 0.0012656800000000, 0.0006321500000000, -0.0017531400000000 ] - [ -0.0001788800000000, -0.0010016900000000, 0.0003338000000000 ] - [ 0.0000388100000000, -0.0002370800000000, 0.0008764300000000 ] - [ -0.0000886200000000, 0.0000553400000000, 0.0002347600000000 ] - [ -0.0003677600000000, 0.0005951300000000, -0.0002847600000000 ] - [ 0.0000095300000000, -0.0002060900000000, 0.0009128600000000 ] - [ 0.0005752900000000, 0.0003239400000000, 0.0009764100000000 ] - [ 0.0000144700000000, -0.0001163000000000, -0.0002066800000000 ] - [ 0.0064943300000000, 0.0025298400000000, -0.0057799700000000 ] - [ -0.0005420700000000, 0.0001691500000000, 0.0001965000000000 ] - [ 0.0002343000000000, 0.0018733000000000, -0.0003710300000000 ] - [ 0.0005638800000000, -0.0005793000000000, -0.0009865500000000 ] - [ 0.0003278900000000, -0.0008536100000000, -0.0002864900000000 ] - [ -0.0003287600000000, 0.0003454000000000, -0.0003163800000000 ] - [ 0.0004353800000000, -0.0028290400000000, 0.0029888200000000 ] - [ 0.0002521300000000, -0.0001589800000000, -0.0006367700000000 ] - [ -0.0006337200000000, 0.0021637100000000, -0.0006407500000000 ] - [ -0.0003330600000000, -0.0008638100000000, 0.0008316200000000 ] - [ 0.0003933900000000, -0.0007179400000000, -0.0006351100000000 ] - [ -0.0002371100000000, -0.0020585200000000, 0.0025799900000000 ] - [ -0.0000526100000000, -0.0004361800000000, 0.0002571500000000 ] - [ 0.0000553400000000, -0.0001800300000000, -0.0003330200000000 ] - [ -0.0000748900000000, 0.0000718200000000, 0.0009334200000000 ] - [ 0.0000843000000000, -0.0001289000000000, -0.0000950700000000 ] - [ 0.0002688700000000, -0.0003636000000000, 0.0007500700000000 ] - [ 0.0002837500000000, -0.0010283500000000, -0.0001530900000000 ] - [ -0.0003040900000000, -0.0012954900000000, 0.0000766800000000 ] - [ -0.0000696900000000, -0.0005134200000000, 0.0007322200000000 ] - [ -0.0004411900000000, -0.0017175400000000, 0.0000420100000000 ] - [ -0.0003336200000000, -0.0004804500000000, 0.0003509500000000 ] - [ 0.0002709600000000, -0.0017468100000000, 0.0013991200000000 ] - [ 0.0002946500000000, 0.0001205700000000, -0.0000959600000000 ] - [ -0.0006366200000000, 0.0012518900000000, 0.0131648100000000 ] - [ -0.0003814400000000, -0.0006375700000000, -0.0006241100000000 ] - [ 0.0000402100000000, 0.0000956000000000, -0.0007380000000000 ] - [ -0.0002175000000000, -0.0000896200000000, 0.0003813000000000 ] - [ 0.0002196600000000, -0.0003620100000000, 0.0001083800000000 ] - [ -0.0005004500000000, 0.0015207000000000, -0.0027600600000000 ] - [ 0.0000018200000000, -0.0005930800000000, 0.0001296800000000 ] - [ -0.0002721100000000, -0.0003103800000000, 0.0000901200000000 ] - [ 0.0001238500000000, -0.0000617700000000, 0.0010046800000000 ] - [ 0.0001741500000000, -0.0005716500000000, 0.0000842100000000 ] - [ -0.0000372500000000, -0.0000258400000000, -0.0003796200000000 ] - [ 0.0006524300000000, 0.0013012500000000, -0.0002882400000000 ] - [ 0.0006086300000000, 0.0015636400000000, 0.0001840300000000 ] - [ 0.0004074100000000, 0.0027222900000000, -0.0005026600000000 ] - [ 0.0002472500000000, 0.0009136800000000, 0.0002424800000000 ] - [ 0.0002702000000000, -0.0004126700000000, 0.0005143700000000 ] - [ -0.0001844500000000, -0.0000661100000000, -0.0000366600000000 ] - [ -0.0003190700000000, 0.0002948900000000, -0.0008470500000000 ] - [ -0.0000535200000000, -0.0010916600000000, -0.0006186000000000 ] - [ -0.0005891800000000, -0.0011342800000000, 0.0002927300000000 ] - [ 0.0001045100000000, 0.0000823200000000, 0.0001874800000000 ] - [ 0.0005753700000000, -0.0013113000000000, 0.0003726400000000 ] - [ 0.0010688300000000, 0.0001533600000000, -0.0002553700000000 ] - [ -0.0008540100000000, -0.0009551300000000, -0.0002835900000000 ] - [ -0.0003192200000000, -0.0000761900000000, -0.0001080400000000 ] - [ 0.0002331100000000, 0.0001095900000000, -0.0003822700000000 ] - [ 0.0000320100000000, 0.0003156700000000, 0.0006743300000000 ] - [ 0.0000619100000000, 0.0015448700000000, 0.0006192800000000 ] - [ -0.0002579200000000, -0.0002150700000000, 0.0005365600000000 ] - [ -0.0006560400000000, -0.0009531000000000, 0.0007427500000000 ] - [ 0.0004266200000000, -0.0017219600000000, 0.0001427600000000 ] - [ -0.0001076800000000, 0.0002251100000000, -0.0013128500000000 ] - [ -0.0008910700000000, 0.0002080400000000, -0.0002432600000000 ] - [ -0.0044370300000000, 0.0049396900000000, 0.0026167800000000 ] - [ 0.0003300700000000, -0.0008408700000000, 0.0008207600000000 ] - [ 0.0001689600000000, -0.0005344200000000, -0.0002500300000000 ] - [ 0.0018046200000000, -0.0069779900000000, -0.0018353300000000 ] - [ -0.0002799400000000, -0.0003688200000000, -0.0001252700000000 ] - [ 0.0001501300000000, -0.0009378000000000, 0.0004205100000000 ] - [ 0.0003708000000000, 0.0008858600000000, -0.0007517200000000 ] - [ -0.0002640000000000, -0.0000707900000000, -0.0006769100000000 ] - [ 0.0000957500000000, 0.0019837800000000, 0.0003432000000000 ] - [ 0.0002088400000000, 0.0003820700000000, -0.0008694200000000 ] - [ -0.0004024800000000, -0.0006264100000000, -0.0000063300000000 ] - [ 0.0000212400000000, -0.0009407000000000, 0.0006443700000000 ] - [ 0.0008903200000000, -0.0007926700000000, -0.0007199800000000 ] - [ -0.0000429800000000, -0.0002331200000000, 0.0010101700000000 ] - [ 0.0004163400000000, 0.0001318300000000, 0.0008671300000000 ] - [ 0.0003077800000000, 0.0010868900000000, 0.0000273000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003782100000000, -0.0000763900000000, -0.0004051300000000 ] - [ 0.0006222800000000, -0.0006173000000000, 0.0001830200000000 ] - [ -0.0019832700000000, 0.0002350700000000, 0.0037202600000000 ] - [ -0.0006773900000000, -0.0002035500000000, -0.0000758300000000 ] - [ 0.0001134000000000, 0.0001921100000000, -0.0014432500000000 ] - [ -0.0000848000000000, 0.0005411100000000, -0.0000268800000000 ] - [ 0.0000815900000000, 0.0006364200000000, 0.0003490900000000 ] - [ 0.0001213400000000, -0.0006650100000000, 0.0007661700000000 ] - [ -0.0007041900000000, -0.0011070300000000, 0.0022736500000000 ] - [ 0.0006341500000000, 0.0005706800000000, 0.0003259100000000 ] - [ -0.0016051400000000, -0.0024157300000000, 0.0077523400000000 ] - [ -0.0000230600000000, 0.0000463300000000, -0.0001747500000000 ] - [ 0.0000574900000000, 0.0000252000000000, 0.0001508600000000 ] - [ -0.0001145900000000, -0.0005880500000000, 0.0005695800000000 ] - [ 0.0010318300000000, -0.0017342300000000, 0.0038455500000000 ] - [ 0.0003867700000000, 0.0000340500000000, -0.0004061800000000 ] - [ 0.0003498300000000, -0.0004137700000000, -0.0027469200000000 ] - [ 0.0003903700000000, -0.0009704600000000, -0.0019687100000000 ] - [ -0.0006911400000000, 0.0007391400000000, -0.0003044500000000 ] - [ -0.0003398900000000, 0.0001190600000000, -0.0005831700000000 ] - [ 0.0000813900000000, -0.0000837300000000, 0.0002807500000000 ] - [ -0.0005309700000000, 0.0009282400000000, 0.0013118600000000 ] - [ 0.0003743300000000, 0.0011696100000000, 0.0012498600000000 ] - [ 0.0001093100000000, -0.0008835400000000, 0.0000949400000000 ] - [ -0.0003661600000000, 0.0000358800000000, -0.0005867500000000 ] - [ 0.0005383900000000, 0.0008095500000000, -0.0013451600000000 ] - [ -0.0006646900000000, -0.0006363800000000, -0.0001614000000000 ] - [ 0.0002143200000000, 0.0006123100000000, 0.0053185000000000 ] - [ 0.0002160300000000, -0.0002164300000000, -0.0020835400000000 ] - [ -0.0000905900000000, -0.0007339200000000, -0.0003694400000000 ] - [ 0.0000250400000000, 0.0000553700000000, -0.0003218400000000 ] - [ 0.0001863100000000, -0.0004154600000000, -0.0024856600000000 ] - [ -0.0003050300000000, -0.0000584300000000, -0.0001578100000000 ] - [ 0.0008894000000000, -0.0011572600000000, -0.0010793400000000 ] - [ 0.0010771000000000, 0.0000394900000000, 0.0066176100000000 ] - [ 0.0004868900000000, 0.0021997300000000, 0.0016884000000000 ] - [ 0.0006937400000000, -0.0021309400000000, -0.0040048100000000 ] - [ 0.0137720200000000, 0.0449498600000000, 0.1384127500000000 ] - [ -0.0004418500000000, 0.0004403500000000, -0.0006269600000000 ] - [ -0.0001423700000000, 0.0002515200000000, -0.0010172500000000 ] - [ 0.0005617400000000, -0.0002506200000000, -0.0005517500000000 ] - [ -0.0007367500000000, -0.0024817200000000, -0.0025542100000000 ] - [ -0.0001570400000000, -0.0004138500000000, -0.0009047000000000 ] - [ 0.0010684500000000, 0.0022165800000000, -0.0015255500000000 ] - [ -0.0007477500000000, 0.0045302900000000, -0.0024488300000000 ] - [ -0.0006926400000000, -0.0006062000000000, 0.0011600700000000 ] - [ -0.0008928000000000, 0.0003450900000000, -0.0009007000000000 ] - [ -0.0002683500000000, 0.0002269000000000, -0.0001813800000000 ] - [ -0.0000626100000000, -0.0011760600000000, -0.0061389500000000 ] - [ 0.0004070100000000, -0.0033839200000000, 0.0022714600000000 ] - [ 0.0003479800000000, -0.0000137500000000, -0.0006775800000000 ] - [ 0.0012834800000000, 0.0020469400000000, -0.0031682000000000 ] - [ 0.0001863900000000, -0.0007117900000000, -0.0008353100000000 ] - [ 0.0003321500000000, 0.0000514500000000, -0.0006799000000000 ] - [ -0.0048118800000000, 0.0131585200000000, -0.0052628600000000 ] - [ 0.0000341400000000, -0.0022823300000000, -0.0036085000000000 ] - [ 0.0006649700000000, -0.0029120800000000, -0.0030349300000000 ] - [ -0.0004490400000000, -0.0007494500000000, -0.0007828900000000 ] - [ 0.0001843800000000, 0.0022384300000000, -0.0025523200000000 ] - [ 0.0006140900000000, 0.0006217500000000, -0.0004660000000000 ] - [ 0.0002425300000000, 0.0012347200000000, -0.0005664200000000 ] - [ -0.0008674500000000, -0.0003404200000000, -0.0013882200000000 ] - [ -0.0008297200000000, -0.0004419200000000, 0.0013935300000000 ] - [ -0.0001171000000000, 0.0004266000000000, -0.0039914400000000 ] - [ 0.0002784500000000, -0.0001203400000000, 0.0001209100000000 ] - [ -0.0005967100000000, -0.0030892300000000, -0.0018588200000000 ] - [ 0.0001283600000000, 0.0001618600000000, -0.0002812600000000 ] - [ -0.0013562800000000, 0.0011084100000000, 0.0011423500000000 ] - [ -0.0002657700000000, -0.0008985400000000, 0.0009286500000000 ] - [ 0.0002586600000000, -0.0005393900000000, 0.0016429000000000 ] - [ 0.0003302400000000, 0.0001383000000000, -0.0007109700000000 ] - [ -0.0004482100000000, 0.0007338100000000, 0.0006012600000000 ] - [ -0.0132627600000000, -0.0517102400000000, -0.1940489500000000 ] - [ 0.0003188900000000, -0.0001782200000000, -0.0001346300000000 ] - [ 0.0000976800000000, -0.0002261000000000, 0.0001487000000000 ] - [ 0.0001885800000000, 0.0009764200000000, 0.0004798400000000 ] - [ -0.0003030000000000, 0.0002563300000000, 0.0007204100000000 ] - [ -0.0002851400000000, -0.0010781200000000, 0.0009231100000000 ] - [ -0.0002959100000000, -0.0004366000000000, -0.0003712800000000 ] - [ -0.0001524600000000, -0.0001400100000000, 0.0004880300000000 ] - [ 0.0000946100000000, -0.0010445800000000, -0.0007133500000000 ] - [ -0.0002249400000000, 0.0001352800000000, 0.0001258500000000 ] - [ 0.0008621100000000, 0.0005582700000000, -0.0003194200000000 ] - [ 0.0005640800000000, 0.0006336700000000, 0.0001979500000000 ] - [ 0.0004647100000000, 0.0009810300000000, 0.0003101200000000 ] - [ 0.0003300900000000, 0.0002251500000000, -0.0001402000000000 ] - [ 0.0005373600000000, -0.0009195400000000, 0.0050834800000000 ] - [ 0.0002167100000000, -0.0002044500000000, -0.0005453300000000 ] - [ -0.0001839100000000, 0.0002116500000000, -0.0002228700000000 ] - [ -0.0000666600000000, 0.0004869900000000, 0.0006444400000000 ] - [ 0.0010917900000000, 0.0058836400000000, -0.0012036700000000 ] - [ 0.0052546800000000, 0.0079388900000000, 0.0043201000000000 ] - [ 0.0007388900000000, -0.0015510400000000, 0.0017682500000000 ] - [ 0.0008731200000000, -0.0006077000000000, -0.0003180400000000 ] - [ 0.0138279500000000, 0.0030980500000000, 0.0033062800000000 ] - [ -0.0070594700000000, 0.0087289400000000, 0.0025704300000000 ] - [ -0.0001115400000000, -0.0003919000000000, 0.0002398100000000 ] - [ 0.0000238900000000, 0.0003312500000000, 0.0004725200000000 ] - [ -0.0001155200000000, 0.0004382600000000, 0.0002386200000000 ] - [ -0.0009425300000000, 0.0048628800000000, -0.0022489900000000 ] - [ -0.0000519000000000, 0.0000831500000000, 0.0013415100000000 ] - [ 0.0005045000000000, -0.0013696800000000, 0.0012742000000000 ] - [ 0.0001289400000000, 0.0006156100000000, -0.0000789900000000 ] - [ -0.0114094300000000, 0.0051778800000000, 0.0040254300000000 ] - [ -0.0005679500000000, 0.0006451500000000, 0.0003084900000000 ] - [ 0.0009300000000000, -0.0010895600000000, 0.0017082400000000 ] - [ -0.0000252400000000, 0.0008469200000000, 0.0003069000000000 ] - [ 0.0003186300000000, -0.0003957200000000, -0.0000430700000000 ] - [ -0.0002907800000000, 0.0003320300000000, 0.0003204000000000 ] - [ -0.0011094300000000, -0.0095269500000000, 0.0027338000000000 ] - [ 0.0003169900000000, 0.0002866500000000, -0.0008206100000000 ] - [ -0.0003728300000000, 0.0002775900000000, -0.0060590200000000 ] - [ -0.0003003600000000, -0.0002127200000000, 0.0006746600000000 ] - [ 0.0003181000000000, -0.0002883300000000, -0.0007842700000000 ] - [ -0.0006270700000000, -0.0068500400000000, 0.0002940200000000 ] - [ -0.0000625600000000, -0.0001784500000000, -0.0000229800000000 ] - [ -0.0000028500000000, 0.0000857600000000, 0.0001168500000000 ] - [ -0.0001302300000000, 0.0003326100000000, 0.0012446700000000 ] - [ 0.0000529100000000, 0.0001446700000000, -0.0000322200000000 ] - [ 0.0002803300000000, 0.0003308300000000, 0.0001490500000000 ] - [ 0.0002298000000000, 0.0006172000000000, 0.0014452700000000 ] - [ -0.0003603800000000, -0.0014734600000000, 0.0005503800000000 ] - [ -0.0001753300000000, -0.0004480900000000, 0.0015607400000000 ] - [ -0.0004405700000000, -0.0006480200000000, 0.0006957900000000 ] - [ -0.0003080000000000, -0.0002997200000000, 0.0000749900000000 ] - [ -0.0000522600000000, -0.0000260900000000, -0.0000981300000000 ] - [ 0.0003156800000000, 0.0002596500000000, 0.0000755000000000 ] - [ -0.0002672900000000, -0.0122535000000000, 0.0213604000000000 ] - [ -0.0003305400000000, -0.0002994400000000, -0.0004970900000000 ] - [ 0.0008123000000000, 0.0000855200000000, 0.0012463700000000 ] - [ -0.0011396200000000, -0.0023905300000000, -0.0007837000000000 ] - [ 0.0001016300000000, 0.0003012700000000, 0.0002149300000000 ] - [ 0.0001100400000000, 0.0043907300000000, 0.0081357500000000 ] - [ -0.0002075800000000, -0.0003186200000000, -0.0003567200000000 ] - [ -0.0003060600000000, -0.0004228500000000, 0.0010417300000000 ] - [ 0.0002275900000000, -0.0001625300000000, 0.0016359500000000 ] - [ 0.0002085500000000, -0.0008396700000000, -0.0000256100000000 ] - [ -0.0003125000000000, 0.0012272900000000, 0.0014269500000000 ] - [ 0.0006141500000000, 0.0004768400000000, 0.0008628500000000 ] - [ 0.0007672700000000, 0.0013174200000000, 0.0017104200000000 ] - [ 0.0004599600000000, 0.0009633400000000, 0.0016880600000000 ] - [ 0.0003876100000000, -0.0000276600000000, 0.0013750500000000 ] - [ 0.0002881700000000, 0.0000632900000000, 0.0005412700000000 ] - [ -0.0003598500000000, -0.0001810700000000, 0.0004126100000000 ] - [ -0.0001683200000000, 0.0013444800000000, 0.0014788700000000 ] - [ -0.0000444100000000, 0.0006105400000000, 0.0001626800000000 ] - [ -0.0005726600000000, -0.0007191500000000, 0.0003537300000000 ] - [ 0.0001300200000000, 0.0005627200000000, 0.0003400900000000 ] - [ 0.0005720100000000, -0.0006465400000000, 0.0001642200000000 ] - [ 0.0008846500000000, -0.0004410100000000, 0.0008374600000000 ] - [ -0.0008614800000000, -0.0005838500000000, -0.0001958000000000 ] - [ -0.0003880100000000, 0.0003155900000000, -0.0000073200000000 ] - [ -0.0005433800000000, -0.0001343100000000, 0.0013305900000000 ] - [ 0.0002837900000000, 0.0006357300000000, 0.0019812900000000 ] - [ 0.0001785100000000, 0.0006050400000000, 0.0014464300000000 ] - [ -0.0002926000000000, 0.0007659000000000, 0.0004043500000000 ] - [ -0.0001748200000000, 0.0003256300000000, 0.0001479700000000 ] - [ 0.0004649500000000, -0.0011920500000000, 0.0001718600000000 ] - [ 0.0001697700000000, 0.0015105800000000, -0.0006797300000000 ] - [ -0.0008878400000000, 0.0005738500000000, -0.0001913200000000 ] - [ -0.0003854300000000, -0.0018255100000000, -0.0022171500000000 ] - [ 0.0003012300000000, -0.0002459900000000, 0.0006235100000000 ] - [ -0.0000224300000000, -0.0001091800000000, 0.0001015900000000 ] - [ 0.0002274000000000, 0.0010902700000000, -0.0008696800000000 ] - [ -0.0003092000000000, 0.0006443000000000, -0.0004464900000000 ] - [ 0.0001753000000000, -0.0007180600000000, 0.0003511900000000 ] - [ 0.0002915100000000, 0.0001722100000000, 0.0011463100000000 ] - [ -0.0003249100000000, 0.0002467100000000, -0.0004570800000000 ] - [ 0.0002440200000000, -0.0018397700000000, 0.0028357500000000 ] - [ 0.0003138100000000, -0.0000544800000000, 0.0012867600000000 ] - [ -0.0004500600000000, -0.0004533800000000, -0.0000028700000000 ] - [ 0.0003738800000000, -0.0038998100000000, 0.0016760300000000 ] - [ 0.0002344800000000, 0.0004232100000000, -0.0005661600000000 ] - [ 0.0001926100000000, 0.0001350100000000, -0.0008115300000000 ] - [ 0.0017919800000000, -0.0013677700000000, -0.0012413900000000 ] - [ 0.0002624300000000, -0.0004993200000000, 0.0013985700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003600900000000, -0.0000236800000000, -0.0005787800000000 ] - [ 0.0006682500000000, -0.0006749900000000, -0.0001579600000000 ] - [ 0.0006814800000000, 0.0010683700000000, -0.0036835600000000 ] - [ -0.0002708800000000, 0.0003840400000000, -0.0010416800000000 ] - [ -0.0000347600000000, -0.0002188900000000, 0.0014245100000000 ] - [ 0.0000846400000000, -0.0005404400000000, 0.0006361400000000 ] - [ -0.0000814000000000, -0.0006354800000000, 0.0007566300000000 ] - [ -0.0001215300000000, 0.0006634100000000, 0.0003413800000000 ] - [ 0.0003370600000000, 0.0011151700000000, -0.0035207500000000 ] - [ 0.0006570800000000, 0.0007200000000000, -0.0002997800000000 ] - [ 0.0002457100000000, 0.0010338900000000, -0.0077053800000000 ] - [ -0.0000562100000000, -0.0000202400000000, 0.0001599000000000 ] - [ 0.0000220200000000, 0.0000010800000000, -0.0001654700000000 ] - [ 0.0001146100000000, 0.0005860000000000, 0.0000428200000000 ] - [ -0.0011133600000000, 0.0017103300000000, -0.0038490700000000 ] - [ 0.0003511900000000, 0.0000645800000000, -0.0005778600000000 ] - [ 0.0003896700000000, 0.0003103900000000, 0.0017529200000000 ] - [ 0.0008987900000000, -0.0003230600000000, 0.0019879200000000 ] - [ -0.0005997800000000, 0.0005537700000000, 0.0003278900000000 ] - [ -0.0003982200000000, -0.0000199300000000, -0.0004008100000000 ] - [ -0.0000013400000000, 0.0000543000000000, -0.0002941700000000 ] - [ 0.0005294700000000, -0.0009247000000000, -0.0006918900000000 ] - [ -0.0003739200000000, -0.0011637300000000, -0.0001365400000000 ] - [ -0.0001089200000000, 0.0008835500000000, 0.0010079000000000 ] - [ -0.0003716100000000, -0.0001352900000000, -0.0003974200000000 ] - [ 0.0007540300000000, 0.0004829300000000, 0.0013655100000000 ] - [ -0.0006259500000000, -0.0006564900000000, 0.0001853300000000 ] - [ -0.0002711100000000, -0.0006044800000000, -0.0053114500000000 ] - [ -0.0001354500000000, 0.0002423200000000, 0.0020626800000000 ] - [ 0.0000899900000000, 0.0007331400000000, 0.0009756400000000 ] - [ -0.0001039600000000, -0.0000809200000000, 0.0003061700000000 ] - [ 0.0005516400000000, 0.0005134800000000, 0.0014956800000000 ] - [ -0.0003163400000000, -0.0000698000000000, -0.0007007500000000 ] - [ 0.0006058400000000, -0.0007042000000000, 0.0011658500000000 ] - [ -0.0004510700000000, 0.0001197400000000, -0.0074033700000000 ] - [ 0.0010072000000000, -0.0003373300000000, -0.0015973300000000 ] - [ -0.0003337600000000, 0.0008894700000000, 0.0022670700000000 ] - [ -0.0119586600000000, -0.0411334500000000, -0.1307014100000000 ] - [ -0.0005137000000000, -0.0004425400000000, -0.0004865900000000 ] - [ -0.0002121300000000, 0.0009629100000000, -0.0007110500000000 ] - [ 0.0003941200000000, 0.0002465800000000, -0.0005605900000000 ] - [ -0.0002206800000000, 0.0024703100000000, 0.0014366000000000 ] - [ -0.0001975100000000, -0.0008034900000000, -0.0008220600000000 ] - [ -0.0001135200000000, -0.0022067200000000, 0.0004124300000000 ] - [ 0.0010999600000000, -0.0033081400000000, 0.0007112700000000 ] - [ -0.0008016100000000, -0.0012518200000000, -0.0010704600000000 ] - [ -0.0006025100000000, 0.0015113000000000, 0.0009874300000000 ] - [ -0.0003532500000000, -0.0001001600000000, -0.0006772200000000 ] - [ -0.0005596700000000, 0.0010542300000000, 0.0052801900000000 ] - [ 0.0010890900000000, 0.0015131400000000, -0.0021816000000000 ] - [ 0.0002741100000000, 0.0001398500000000, -0.0001835100000000 ] - [ 0.0002133200000000, -0.0001816100000000, 0.0032455000000000 ] - [ 0.0001683500000000, -0.0005063200000000, -0.0008904100000000 ] - [ 0.0002894200000000, -0.0001789400000000, -0.0001814600000000 ] - [ 0.0037910400000000, -0.0130186100000000, 0.0040912800000000 ] - [ -0.0003884900000000, 0.0034873500000000, 0.0018786800000000 ] - [ 0.0002922100000000, 0.0029291500000000, 0.0019266600000000 ] - [ -0.0005070800000000, 0.0007486700000000, -0.0003326700000000 ] - [ -0.0005331500000000, -0.0034458200000000, 0.0008262100000000 ] - [ 0.0003433800000000, -0.0006163700000000, -0.0006456200000000 ] - [ 0.0001121500000000, -0.0000148100000000, -0.0011575000000000 ] - [ -0.0006276000000000, -0.0015151000000000, 0.0014728700000000 ] - [ -0.0006751600000000, 0.0022630900000000, -0.0013203500000000 ] - [ -0.0005048600000000, -0.0002955300000000, 0.0031075500000000 ] - [ 0.0002765400000000, -0.0010193300000000, 0.0004046300000000 ] - [ 0.0000436900000000, 0.0019450800000000, 0.0023794800000000 ] - [ -0.0003059500000000, -0.0008563000000000, 0.0020325900000000 ] - [ 0.0004273000000000, -0.0028884800000000, -0.0002705600000000 ] - [ -0.0000393300000000, 0.0009575200000000, -0.0006516100000000 ] - [ -0.0000809500000000, -0.0001554600000000, 0.0001111200000000 ] - [ 0.0002938500000000, 0.0007096300000000, 0.0003380200000000 ] - [ -0.0004664200000000, 0.0010689200000000, 0.0002639100000000 ] - [ 0.0113117900000000, 0.0472163100000000, 0.1841265700000000 ] - [ 0.0004000500000000, -0.0003920000000000, -0.0000082700000000 ] - [ 0.0002079100000000, 0.0001658000000000, 0.0001275100000000 ] - [ 0.0001134700000000, -0.0009120700000000, -0.0002073500000000 ] - [ -0.0002943700000000, 0.0001500300000000, 0.0005672400000000 ] - [ 0.0000330600000000, 0.0006637400000000, -0.0012022700000000 ] - [ -0.0003275400000000, -0.0004140200000000, -0.0000012500000000 ] - [ 0.0001526700000000, 0.0001395400000000, 0.0014632000000000 ] - [ 0.0000967600000000, 0.0003378400000000, 0.0004483600000000 ] - [ -0.0000801200000000, -0.0001945800000000, 0.0001499300000000 ] - [ 0.0008804100000000, 0.0006025900000000, -0.0001916900000000 ] - [ 0.0005682200000000, 0.0006897800000000, 0.0003153400000000 ] - [ 0.0004505500000000, 0.0008217600000000, 0.0005541800000000 ] - [ 0.0003891400000000, 0.0003461700000000, -0.0000031300000000 ] - [ 0.0000577900000000, 0.0013463800000000, -0.0038378000000000 ] - [ -0.0002173000000000, 0.0002040600000000, 0.0001584200000000 ] - [ -0.0000683100000000, 0.0002015100000000, -0.0000572800000000 ] - [ -0.0001239300000000, -0.0011893700000000, -0.0009080900000000 ] - [ -0.0021878300000000, -0.0071240300000000, 0.0016295900000000 ] - [ -0.0050439800000000, -0.0069653500000000, -0.0037396900000000 ] - [ 0.0003924400000000, 0.0002301900000000, -0.0012553800000000 ] - [ 0.0008697200000000, -0.0005525400000000, -0.0001928400000000 ] - [ -0.0152726000000000, -0.0042405300000000, -0.0037809600000000 ] - [ 0.0063547200000000, -0.0081973300000000, -0.0026929100000000 ] - [ -0.0001354100000000, -0.0006434800000000, 0.0003489300000000 ] - [ 0.0001533900000000, 0.0003638100000000, 0.0012787300000000 ] - [ -0.0001317000000000, 0.0005983800000000, 0.0003501200000000 ] - [ 0.0003877500000000, -0.0037225000000000, 0.0027740100000000 ] - [ 0.0000518400000000, -0.0000825300000000, 0.0006103700000000 ] - [ 0.0004109600000000, -0.0004348000000000, -0.0004034800000000 ] - [ 0.0000621900000000, 0.0000907800000000, -0.0001854500000000 ] - [ 0.0094155600000000, -0.0039196000000000, -0.0045041500000000 ] - [ -0.0005644500000000, 0.0006783300000000, 0.0002052400000000 ] - [ -0.0003379100000000, 0.0007010700000000, -0.0003884300000000 ] - [ 0.0002793300000000, -0.0012551000000000, -0.0005874800000000 ] - [ 0.0003045600000000, -0.0004548400000000, -0.0003288600000000 ] - [ -0.0003320900000000, 0.0005200500000000, -0.0006922700000000 ] - [ 0.0013669700000000, 0.0085223800000000, -0.0021434500000000 ] - [ 0.0003259100000000, 0.0002707500000000, -0.0004709900000000 ] - [ -0.0002744500000000, 0.0002729000000000, 0.0046995400000000 ] - [ -0.0002970300000000, -0.0001923200000000, 0.0006123200000000 ] - [ 0.0003246700000000, -0.0002682200000000, -0.0005077300000000 ] - [ -0.0000903700000000, 0.0063026100000000, -0.0004350200000000 ] - [ -0.0001283200000000, 0.0008826000000000, -0.0002411900000000 ] - [ 0.0000029800000000, -0.0000854200000000, -0.0005026400000000 ] - [ -0.0000473100000000, 0.0003631900000000, 0.0005084900000000 ] - [ 0.0001992000000000, 0.0002685200000000, -0.0002472700000000 ] - [ 0.0002745300000000, 0.0008114500000000, 0.0003743500000000 ] - [ 0.0003245800000000, -0.0017554000000000, -0.0009183500000000 ] - [ -0.0001946200000000, 0.0003252800000000, -0.0000262100000000 ] - [ -0.0000029400000000, -0.0002486200000000, 0.0001948300000000 ] - [ -0.0004742600000000, -0.0011532100000000, 0.0001702800000000 ] - [ 0.0000022800000000, 0.0003578700000000, 0.0002000200000000 ] - [ 0.0002283600000000, -0.0006602400000000, 0.0018431200000000 ] - [ 0.0003077200000000, 0.0005895700000000, -0.0004475300000000 ] - [ -0.0006838600000000, 0.0136634500000000, -0.0199744600000000 ] - [ -0.0003121100000000, -0.0002574600000000, -0.0007936500000000 ] - [ -0.0000936500000000, -0.0006531900000000, -0.0013869300000000 ] - [ 0.0014317500000000, 0.0022978300000000, 0.0010533100000000 ] - [ 0.0002038800000000, -0.0002404600000000, 0.0000622000000000 ] - [ -0.0007078400000000, -0.0039867200000000, -0.0068538100000000 ] - [ -0.0000461200000000, -0.0000940500000000, 0.0000742000000000 ] - [ -0.0003172000000000, -0.0004298800000000, -0.0014092300000000 ] - [ -0.0002259900000000, 0.0001616500000000, 0.0003179000000000 ] - [ -0.0000172500000000, 0.0001319000000000, -0.0002395000000000 ] - [ 0.0000098600000000, -0.0012899300000000, -0.0011515300000000 ] - [ 0.0011322900000000, 0.0006826200000000, -0.0013702900000000 ] - [ 0.0003652500000000, 0.0000074900000000, -0.0011909200000000 ] - [ 0.0004547000000000, 0.0008370800000000, -0.0008200800000000 ] - [ 0.0003303100000000, 0.0005959600000000, -0.0015119700000000 ] - [ 0.0003091900000000, 0.0003415400000000, 0.0007448400000000 ] - [ 0.0003579900000000, 0.0001802300000000, -0.0007969200000000 ] - [ -0.0000889300000000, -0.0009326200000000, -0.0017587900000000 ] - [ -0.0001472900000000, -0.0013126300000000, -0.0004248100000000 ] - [ -0.0005593400000000, -0.0006043300000000, 0.0001601700000000 ] - [ 0.0001174700000000, 0.0004739300000000, 0.0002491600000000 ] - [ 0.0005603600000000, -0.0006752700000000, 0.0003484100000000 ] - [ 0.0008535300000000, -0.0007207500000000, -0.0013442700000000 ] - [ -0.0008812600000000, -0.0005759500000000, -0.0003145400000000 ] - [ -0.0003309600000000, 0.0002559400000000, -0.0001362800000000 ] - [ 0.0002959600000000, -0.0008977500000000, -0.0007400400000000 ] - [ -0.0001057400000000, 0.0000596500000000, -0.0002259400000000 ] - [ -0.0004261400000000, 0.0004310900000000, -0.0008546700000000 ] - [ -0.0002623800000000, 0.0003775100000000, 0.0001197600000000 ] - [ 0.0001815100000000, -0.0003184800000000, 0.0018041000000000 ] - [ 0.0004498000000000, -0.0006113200000000, 0.0006918000000000 ] - [ 0.0000220700000000, -0.0008103800000000, 0.0004261800000000 ] - [ -0.0008548600000000, 0.0005871000000000, -0.0003188500000000 ] - [ -0.0006776300000000, 0.0031115400000000, 0.0026887000000000 ] - [ 0.0002961100000000, -0.0001589300000000, 0.0006630200000000 ] - [ 0.0002741700000000, -0.0003031400000000, -0.0003797100000000 ] - [ 0.0003805500000000, -0.0018794400000000, 0.0005131100000000 ] - [ -0.0003142100000000, 0.0002102700000000, 0.0000724400000000 ] - [ 0.0000721500000000, -0.0003189700000000, 0.0002377200000000 ] - [ 0.0003513800000000, 0.0003851800000000, -0.0024351000000000 ] - [ -0.0003179000000000, 0.0003100700000000, -0.0008333200000000 ] - [ -0.0008389900000000, 0.0014231300000000, -0.0015364100000000 ] - [ 0.0003287700000000, -0.0005013100000000, -0.0025739900000000 ] - [ -0.0002691900000000, -0.0001186100000000, -0.0001409600000000 ] - [ -0.0005597000000000, 0.0045687200000000, -0.0019322600000000 ] - [ -0.0002437100000000, -0.0004170700000000, 0.0001842800000000 ] - [ -0.0003698900000000, 0.0005636000000000, 0.0025584200000000 ] - [ -0.0015197000000000, 0.0017710100000000, 0.0009406100000000 ] - [ 0.0002926700000000, 0.0016379700000000, -0.0008720100000000 ]- atom: 74 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015294300000000, -0.0037590400000000, 0.0016154000000000 ] - [ 0.0009039000000000, -0.0003781800000000, 0.0001625100000000 ] - [ -0.0006277100000000, 0.0007235500000000, 0.0000320200000000 ] - [ -0.0003716500000000, 0.0001402100000000, -0.0004704900000000 ] - [ 0.0000470300000000, 0.0000439600000000, -0.0000237500000000 ] - [ 0.0000261700000000, 0.0000075900000000, 0.0003123900000000 ] - [ -0.0000088300000000, -0.0000323700000000, 0.0005372000000000 ] - [ -0.0000178200000000, 0.0001379700000000, 0.0005396400000000 ] - [ -0.0003673600000000, 0.0000318700000000, -0.0004739200000000 ] - [ -0.0027086700000000, 0.0007092000000000, 0.0020567800000000 ] - [ -0.0007052500000000, -0.0005090600000000, 0.0001037900000000 ] - [ 0.0000230400000000, -0.0000692700000000, -0.0001463800000000 ] - [ -0.0001088900000000, 0.0004181800000000, 0.0001464900000000 ] - [ 0.0000020800000000, 0.0001377000000000, 0.0002819700000000 ] - [ -0.0000459200000000, 0.0000757500000000, 0.0000131200000000 ] - [ 0.0061887600000000, -0.0148768200000000, -0.0019126800000000 ] - [ 0.0003546100000000, -0.0000097100000000, -0.0005239600000000 ] - [ 0.0006755800000000, -0.0006543000000000, -0.0000897500000000 ] - [ 0.0000141000000000, 0.0006916600000000, -0.0001634100000000 ] - [ -0.0005369400000000, -0.0000080900000000, -0.0008048900000000 ] - [ 0.0028248600000000, -0.0030040600000000, -0.0025059800000000 ] - [ 0.0004323100000000, -0.0003320000000000, 0.0006121000000000 ] - [ -0.0001859600000000, -0.0002428300000000, 0.0007998700000000 ] - [ 0.0004424000000000, 0.0000469200000000, 0.0004482400000000 ] - [ -0.0001812900000000, -0.0000956500000000, -0.0008751900000000 ] - [ 0.0006373400000000, 0.0007004100000000, -0.0000078500000000 ] - [ -0.0008434400000000, -0.0008152200000000, -0.0002751700000000 ] - [ 0.0000818300000000, 0.0000150800000000, 0.0000547100000000 ] - [ -0.0000252900000000, -0.0000015000000000, -0.0001260100000000 ] - [ -0.0004428200000000, 0.0001602100000000, -0.0001103300000000 ] - [ -0.0006505400000000, 0.0003198000000000, -0.0005877500000000 ] - [ 0.0003727200000000, 0.0000916200000000, -0.0005212100000000 ] - [ -0.0000238000000000, -0.0016664700000000, -0.0004399900000000 ] - [ 0.0007679400000000, -0.0007802500000000, -0.0000689300000000 ] - [ 0.0003055400000000, 0.0001872800000000, -0.0003786300000000 ] - [ 0.0007277600000000, 0.0011481900000000, 0.0002679400000000 ] - [ 0.0001564100000000, -0.0005272400000000, -0.0008212100000000 ] - [ 0.0003188000000000, 0.0000630000000000, -0.0003756000000000 ] - [ -0.0001268800000000, -0.0008263800000000, 0.0002633500000000 ] - [ 0.0689134100000000, -0.0208722500000000, 0.0499063100000000 ] - [ 0.0005266200000000, 0.0004137000000000, -0.0009219400000000 ] - [ -0.0004842500000000, 0.0001388800000000, -0.0005543700000000 ] - [ 0.0000293000000000, 0.0003249400000000, -0.0010851100000000 ] - [ 0.0004479300000000, 0.0001336200000000, -0.0004901700000000 ] - [ 0.0001885200000000, 0.0007524800000000, -0.0008147100000000 ] - [ -0.0007796400000000, -0.0005806600000000, 0.0001664500000000 ] - [ -0.0007814900000000, 0.0009933000000000, -0.0001427900000000 ] - [ 0.0008160000000000, 0.0021515300000000, -0.0049402200000000 ] - [ -0.0003764600000000, 0.0002099500000000, -0.0004823000000000 ] - [ 0.0004501600000000, -0.0037407700000000, 0.0001413900000000 ] - [ -0.0001065400000000, 0.0006437000000000, 0.0011609500000000 ] - [ 0.0008396700000000, 0.0008562400000000, -0.0000858900000000 ] - [ 0.0001402800000000, -0.0002166300000000, -0.0013195200000000 ] - [ 0.0001057000000000, -0.0017728400000000, -0.0045377600000000 ] - [ -0.0004972700000000, -0.0000140100000000, -0.0005018000000000 ] - [ -0.0001869400000000, 0.0007302700000000, -0.0008542600000000 ] - [ 0.0006676800000000, 0.0010651400000000, -0.0010343600000000 ] - [ -0.0076755600000000, -0.0037685700000000, 0.0057130800000000 ] - [ -0.0001793900000000, -0.0006609100000000, -0.0008145000000000 ] - [ 0.0001681700000000, -0.0008435200000000, -0.0014148500000000 ] - [ 0.0003895500000000, 0.0004795900000000, -0.0011760800000000 ] - [ -0.0008659500000000, -0.0011549300000000, -0.0003785200000000 ] - [ 0.0019103800000000, 0.0078999000000000, 0.0037147900000000 ] - [ -0.0002904500000000, 0.0002030200000000, -0.0004724500000000 ] - [ 0.0039697700000000, -0.0146172900000000, -0.0035568400000000 ] - [ -0.0002755500000000, -0.0006634700000000, 0.0001784400000000 ] - [ -0.0000910200000000, -0.0004298200000000, 0.0008539200000000 ] - [ -0.0004577600000000, -0.0010012300000000, 0.0003802600000000 ] - [ -0.0001356200000000, 0.0000082700000000, 0.0001338800000000 ] - [ 0.0000840500000000, -0.0003681500000000, 0.0009018700000000 ] - [ 0.0003115000000000, 0.0003319100000000, -0.0002026700000000 ] - [ -0.0002332600000000, 0.0027769900000000, 0.0004887700000000 ] - [ -0.0003332500000000, -0.0003431500000000, -0.0006895500000000 ] - [ -0.1065750300000000, 0.0374867400000000, -0.0622706800000000 ] - [ 0.0002771100000000, 0.0002297200000000, 0.0000614700000000 ] - [ 0.0001666300000000, -0.0000484100000000, 0.0001536800000000 ] - [ -0.0013674300000000, 0.0067015100000000, 0.0090643700000000 ] - [ -0.0001354100000000, -0.0002491700000000, -0.0001465000000000 ] - [ -0.0003118300000000, -0.0005486400000000, -0.0002850600000000 ] - [ -0.0000331100000000, -0.0000810500000000, 0.0009254200000000 ] - [ 0.0001005100000000, -0.0004435700000000, -0.0002027600000000 ] - [ -0.0001269600000000, -0.0001759400000000, 0.0002031500000000 ] - [ -0.0002238500000000, -0.0000686600000000, 0.0005495500000000 ] - [ 0.0003858600000000, -0.0002786500000000, 0.0004113800000000 ] - [ 0.0005807600000000, 0.0005290800000000, 0.0007290100000000 ] - [ 0.0003551000000000, -0.0001495500000000, -0.0003965800000000 ] - [ 0.0002954000000000, 0.0000935000000000, 0.0005995700000000 ] - [ 0.0000314400000000, -0.0000540600000000, -0.0002480600000000 ] - [ -0.0001153900000000, 0.0000613800000000, -0.0000276500000000 ] - [ -0.0001097000000000, -0.0004238500000000, -0.0001038100000000 ] - [ -0.0005679600000000, -0.0007272500000000, 0.0002611100000000 ] - [ 0.0001696300000000, 0.0004553100000000, 0.0002527700000000 ] - [ 0.0005700600000000, -0.0007250800000000, 0.0002748100000000 ] - [ 0.0021064800000000, -0.0010622300000000, 0.0005428600000000 ] - [ -0.0008769200000000, -0.0006100600000000, -0.0002687600000000 ] - [ -0.0003993000000000, 0.0002451400000000, -0.0001184500000000 ] - [ 0.0164445000000000, 0.0012903000000000, 0.0003570300000000 ] - [ 0.0000761300000000, 0.0002051900000000, 0.0008450600000000 ] - [ -0.0018118900000000, 0.0051563200000000, 0.0017614200000000 ] - [ -0.0002667400000000, 0.0006610800000000, 0.0004409400000000 ] - [ 0.0000183000000000, -0.0000241400000000, 0.0010120700000000 ] - [ 0.0004553000000000, -0.0009963600000000, 0.0003965100000000 ] - [ 0.0000908400000000, 0.0001731500000000, 0.0000273600000000 ] - [ -0.0008631300000000, 0.0005341700000000, -0.0002625900000000 ] - [ -0.0005751900000000, 0.0006073200000000, 0.0000613900000000 ] - [ 0.0003022800000000, -0.0002734700000000, 0.0006681100000000 ] - [ 0.0001320000000000, -0.0002549800000000, -0.0001268400000000 ] - [ 0.0002809300000000, -0.0003469200000000, -0.0000894800000000 ] - [ -0.0003098300000000, 0.0003744000000000, -0.0001630300000000 ] - [ 0.0001258800000000, -0.0005676900000000, 0.0002904700000000 ] - [ 0.0066073000000000, -0.0013434800000000, 0.0060637300000000 ] - [ -0.0003152900000000, 0.0002393000000000, -0.0006782300000000 ] - [ 0.0012786700000000, -0.0009688000000000, -0.0008221100000000 ] - [ -0.0012062000000000, -0.0001475700000000, -0.0003953200000000 ] - [ -0.0003631200000000, -0.0003302000000000, -0.0000916000000000 ] - [ -0.0001132300000000, 0.0004782200000000, -0.0002721700000000 ] - [ -0.0000162400000000, -0.0000205100000000, -0.0001321500000000 ] - [ -0.0000981600000000, 0.0003382100000000, 0.0009489800000000 ] - [ -0.0000639800000000, 0.0002991000000000, -0.0001831900000000 ] - [ 0.0002701700000000, 0.0004047300000000, 0.0003185200000000 ] - [ 0.0002802700000000, -0.0006680100000000, 0.0002542000000000 ] - [ -0.0002927600000000, -0.0004617200000000, 0.0004324100000000 ] - [ 0.0000509000000000, -0.0002428900000000, 0.0010651300000000 ] - [ -0.0002924800000000, -0.0013071000000000, -0.0014766100000000 ] - [ 0.0001815800000000, 0.0003977100000000, 0.0002483900000000 ] - [ -0.0002763200000000, -0.0012301300000000, -0.0000769400000000 ] - [ 0.0002283600000000, 0.0005491300000000, -0.0000611800000000 ] - [ -0.0004630500000000, 0.0008683000000000, 0.0004102500000000 ] - [ -0.0002675900000000, 0.0000394800000000, -0.0001968800000000 ] - [ 0.0003727700000000, -0.0003274100000000, -0.0000530500000000 ] - [ 0.0001606800000000, -0.0000575600000000, 0.0000740700000000 ] - [ 0.0003732500000000, 0.0004148300000000, -0.0005824500000000 ] - [ -0.0002960200000000, 0.0001432200000000, 0.0006247100000000 ] - [ -0.0005513100000000, 0.0004300200000000, 0.0008156700000000 ] - [ -0.0003312100000000, -0.0003602600000000, -0.0001411700000000 ] - [ -0.0000764200000000, 0.0000523500000000, 0.0010076200000000 ] - [ 0.0001264400000000, 0.0001699400000000, 0.0002116800000000 ] - [ -0.0002998800000000, -0.0001445100000000, 0.0002420000000000 ] - [ 0.0008436800000000, 0.0005028900000000, -0.0002373500000000 ] - [ 0.0005624200000000, 0.0006156700000000, 0.0002757800000000 ] - [ 0.0004400500000000, 0.0005857900000000, 0.0007014100000000 ] - [ 0.0003872400000000, 0.0002974200000000, -0.0000686800000000 ] - [ 0.0002565900000000, 0.0006473200000000, 0.0006508300000000 ] - [ 0.0001622600000000, 0.0000391500000000, -0.0000875000000000 ] - [ 0.0001248300000000, 0.0001112400000000, 0.0001341700000000 ] - [ 0.0001448400000000, 0.0020201200000000, -0.0003288600000000 ] - [ -0.0009081100000000, -0.0003639600000000, 0.0020905800000000 ] - [ 0.0002212000000000, 0.0005133300000000, 0.0004663200000000 ] - [ 0.0002854400000000, 0.0004851200000000, -0.0015387200000000 ] - [ 0.0008992000000000, -0.0006354100000000, -0.0002439000000000 ] - [ -0.0021285000000000, -0.0003822500000000, -0.0000474700000000 ] - [ -0.0004573000000000, 0.0002651500000000, 0.0001400900000000 ] - [ -0.0001278500000000, -0.0005743100000000, 0.0003167400000000 ] - [ 0.0000907300000000, 0.0004309500000000, 0.0009206300000000 ] - [ -0.0001453200000000, 0.0005240000000000, 0.0002927200000000 ] - [ -0.0002722800000000, 0.0003865100000000, 0.0004286400000000 ] - [ 0.0027842700000000, -0.0004207800000000, -0.0000930600000000 ] - [ 0.0004229600000000, 0.0001822500000000, 0.0018370700000000 ] - [ -0.0000415600000000, -0.0016161900000000, 0.0008813200000000 ] - [ 0.0004595500000000, 0.0007239300000000, 0.0000839200000000 ] - [ -0.0005504700000000, 0.0006263600000000, 0.0002349400000000 ] - [ 0.0002910000000000, -0.0004876600000000, 0.0010596500000000 ] - [ 0.0089175200000000, 0.0005032800000000, -0.0041736200000000 ] - [ 0.0003289600000000, -0.0006858700000000, -0.0002563800000000 ] - [ 0.0037110300000000, 0.0043870400000000, -0.0002710600000000 ] - [ 0.0000079600000000, -0.0005620200000000, 0.0006052700000000 ] - [ 0.0003161000000000, 0.0002419700000000, -0.0006204800000000 ] - [ -0.0002503700000000, 0.0001692400000000, -0.0006221500000000 ] - [ -0.0002993900000000, -0.0002184900000000, 0.0006376400000000 ] - [ 0.0003373600000000, -0.0003248600000000, -0.0005591100000000 ] - [ -0.0002940500000000, -0.0002105200000000, 0.0003488800000000 ] - [ -0.0001009300000000, 0.0004206000000000, -0.0001881900000000 ] - [ -0.0016502900000000, -0.0000766300000000, -0.0003362700000000 ] - [ -0.0000672100000000, 0.0008363800000000, 0.0009304000000000 ] - [ 0.0001084600000000, 0.0000954200000000, -0.0001895000000000 ] - [ 0.0002843700000000, 0.0007119600000000, 0.0002778700000000 ]- atom: 74 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0022636100000000, 0.0036993700000000, -0.0026240800000000 ] - [ 0.0003906700000000, -0.0009233100000000, -0.0001368200000000 ] - [ -0.0006633800000000, 0.0005699700000000, -0.0000036500000000 ] - [ -0.0003671000000000, -0.0000396800000000, -0.0005154800000000 ] - [ 0.0000297300000000, -0.0000697400000000, 0.0000082800000000 ] - [ -0.0000260400000000, -0.0000074400000000, 0.0002975100000000 ] - [ 0.0000089700000000, 0.0000326200000000, 0.0005687600000000 ] - [ 0.0000181900000000, -0.0001400500000000, 0.0005662500000000 ] - [ -0.0003711900000000, -0.0001345400000000, -0.0005120300000000 ] - [ 0.0040022900000000, 0.0005809100000000, -0.0020608100000000 ] - [ -0.0005872700000000, -0.0007846900000000, -0.0000762000000000 ] - [ -0.0000994500000000, 0.0000954400000000, 0.0001327400000000 ] - [ 0.0001850200000000, -0.0003974600000000, -0.0001652900000000 ] - [ -0.0000019900000000, -0.0001396900000000, 0.0003283700000000 ] - [ -0.0000308000000000, -0.0001020300000000, -0.0000291000000000 ] - [ -0.0054601300000000, 0.0149936800000000, 0.0009827000000000 ] - [ 0.0003843800000000, -0.0000926700000000, -0.0004611500000000 ] - [ 0.0006153700000000, -0.0006414400000000, 0.0001186700000000 ] - [ -0.0013052700000000, 0.0006041300000000, 0.0001908000000000 ] - [ -0.0002031600000000, 0.0001108800000000, -0.0001756700000000 ] - [ -0.0027262400000000, 0.0029015000000000, 0.0023558300000000 ] - [ -0.0004280700000000, 0.0003325000000000, 0.0000040500000000 ] - [ 0.0001844000000000, 0.0002449800000000, 0.0003078500000000 ] - [ -0.0004477400000000, -0.0000402900000000, 0.0006556500000000 ] - [ -0.0005566700000000, -0.0000057400000000, -0.0001059200000000 ] - [ 0.0006543400000000, 0.0005934900000000, 0.0000363500000000 ] - [ -0.0004474200000000, -0.0004782900000000, 0.0003065700000000 ] - [ -0.0001572800000000, 0.0000114100000000, -0.0000711400000000 ] - [ 0.0001027600000000, 0.0000247200000000, 0.0001117400000000 ] - [ 0.0004467700000000, -0.0001710200000000, 0.0007197000000000 ] - [ 0.0005707800000000, -0.0003400500000000, 0.0005904700000000 ] - [ 0.0003665000000000, 0.0000092100000000, -0.0004638300000000 ] - [ -0.0005884500000000, 0.0015261500000000, -0.0003817800000000 ] - [ 0.0007285400000000, -0.0010807500000000, 0.0001579300000000 ] - [ 0.0003168500000000, -0.0000620800000000, -0.0004790300000000 ] - [ 0.0007695900000000, 0.0007085400000000, -0.0001834200000000 ] - [ 0.0001976700000000, -0.0006921700000000, -0.0009078000000000 ] - [ 0.0003033100000000, -0.0001899000000000, -0.0004825200000000 ] - [ -0.0008299200000000, 0.0008301000000000, -0.0013790400000000 ] - [ -0.0725431700000000, 0.0234888400000000, -0.0549953000000000 ] - [ 0.0004288700000000, -0.0004237700000000, -0.0001837200000000 ] - [ -0.0004727500000000, -0.0001391600000000, -0.0005571400000000 ] - [ -0.0003848200000000, -0.0015376700000000, -0.0006456200000000 ] - [ 0.0005095800000000, -0.0001339400000000, -0.0006220100000000 ] - [ 0.0001643500000000, 0.0004630200000000, -0.0009146100000000 ] - [ -0.0007168300000000, -0.0012814900000000, -0.0000807300000000 ] - [ -0.0007143700000000, 0.0008649600000000, 0.0002331600000000 ] - [ -0.0014346100000000, -0.0020353500000000, 0.0040964000000000 ] - [ -0.0002447500000000, -0.0003397100000000, -0.0003752400000000 ] - [ 0.0010569400000000, 0.0019148200000000, -0.0000664600000000 ] - [ 0.0007288400000000, -0.0005192900000000, -0.0020199200000000 ] - [ 0.0006550300000000, 0.0010011200000000, 0.0001842800000000 ] - [ 0.0002130000000000, -0.0010064600000000, -0.0004046400000000 ] - [ 0.0005213800000000, 0.0016305400000000, 0.0036935100000000 ] - [ -0.0004592800000000, 0.0000127800000000, -0.0006073300000000 ] - [ -0.0001654900000000, 0.0004857500000000, -0.0008745200000000 ] - [ 0.0002857900000000, -0.0010747000000000, -0.0000743700000000 ] - [ 0.0068107100000000, 0.0036930400000000, -0.0067437100000000 ] - [ -0.0001731900000000, -0.0005578000000000, -0.0009126200000000 ] - [ 0.0007751100000000, 0.0008562100000000, 0.0003116200000000 ] - [ -0.0000341600000000, 0.0007506800000000, -0.0005409400000000 ] - [ -0.0006296300000000, -0.0007051700000000, 0.0004706000000000 ] - [ -0.0034429900000000, -0.0060582700000000, -0.0036709200000000 ] - [ -0.0003315700000000, -0.0000789200000000, -0.0003851300000000 ] - [ -0.0034950700000000, 0.0137411200000000, 0.0041273100000000 ] - [ -0.0002783400000000, -0.0004729200000000, 0.0003480600000000 ] - [ -0.0000820400000000, -0.0002683200000000, 0.0009026200000000 ] - [ -0.0004579700000000, -0.0008050800000000, 0.0004846400000000 ] - [ -0.0001603900000000, 0.0000475900000000, 0.0001381900000000 ] - [ 0.0000891300000000, -0.0003307300000000, 0.0008537600000000 ] - [ 0.0003123100000000, 0.0005201200000000, -0.0001727200000000 ] - [ -0.0006866700000000, -0.0009868900000000, 0.0003745000000000 ] - [ -0.0003098600000000, -0.0002178000000000, -0.0006047000000000 ] - [ 0.1107022700000000, -0.0394597300000000, 0.0656716700000000 ] - [ 0.0000177200000000, -0.0002879400000000, 0.0002103900000000 ] - [ 0.0001292800000000, 0.0001046800000000, 0.0001178400000000 ] - [ 0.0008025800000000, -0.0064037900000000, -0.0078640300000000 ] - [ -0.0001215100000000, -0.0001646200000000, -0.0001340100000000 ] - [ -0.0003115000000000, -0.0003002600000000, -0.0000884000000000 ] - [ 0.0000330600000000, 0.0000816500000000, 0.0010142200000000 ] - [ 0.0000900300000000, -0.0002580100000000, -0.0000546700000000 ] - [ -0.0001697000000000, 0.0001223100000000, 0.0000684800000000 ] - [ 0.0019585500000000, 0.0012296000000000, -0.0010663600000000 ] - [ 0.0007455800000000, 0.0016048900000000, 0.0001065600000000 ] - [ 0.0003348800000000, 0.0012866400000000, 0.0001260500000000 ] - [ 0.0003716800000000, 0.0007183900000000, 0.0002584500000000 ] - [ 0.0003019200000000, 0.0003104000000000, 0.0006833600000000 ] - [ -0.0000313600000000, 0.0000544400000000, -0.0001282800000000 ] - [ -0.0001409900000000, 0.0003546900000000, -0.0002540700000000 ] - [ -0.0000801000000000, -0.0002778500000000, -0.0001546700000000 ] - [ -0.0005639400000000, -0.0005955400000000, 0.0002552500000000 ] - [ 0.0000805200000000, 0.0005811100000000, 0.0003365200000000 ] - [ 0.0005622500000000, -0.0005973700000000, 0.0002415500000000 ] - [ -0.0003467500000000, -0.0000828000000000, -0.0010562800000000 ] - [ -0.0008657000000000, -0.0005391200000000, -0.0002403700000000 ] - [ -0.0003253900000000, 0.0003240200000000, -0.0000239600000000 ] - [ -0.0169479800000000, -0.0023459000000000, 0.0001732900000000 ] - [ 0.0000976000000000, 0.0004951400000000, 0.0009121800000000 ] - [ 0.0015233000000000, -0.0041762300000000, -0.0011841100000000 ] - [ -0.0002877600000000, 0.0004795200000000, 0.0000864200000000 ] - [ -0.0000180600000000, 0.0000242500000000, 0.0009255900000000 ] - [ 0.0004605100000000, -0.0008100900000000, 0.0004686700000000 ] - [ 0.0000997900000000, 0.0005322500000000, -0.0002877300000000 ] - [ -0.0008792300000000, 0.0006155700000000, -0.0002466700000000 ] - [ -0.0005554600000000, 0.0007123300000000, 0.0004537300000000 ] - [ 0.0002949400000000, -0.0001285500000000, 0.0006143500000000 ] - [ 0.0001255700000000, -0.0001587200000000, -0.0001538500000000 ] - [ 0.0003428300000000, -0.0005050600000000, -0.0002866900000000 ] - [ -0.0003134200000000, 0.0004776700000000, -0.0002130900000000 ] - [ 0.0001243300000000, -0.0004674300000000, 0.0002981000000000 ] - [ -0.0059544200000000, 0.0018895200000000, -0.0073474500000000 ] - [ -0.0003279700000000, 0.0003216200000000, -0.0006154600000000 ] - [ -0.0018806300000000, 0.0005630800000000, 0.0021007100000000 ] - [ 0.0018851400000000, -0.0004025800000000, -0.0009282600000000 ] - [ -0.0003609500000000, -0.0002384500000000, -0.0000516600000000 ] - [ -0.0000767500000000, 0.0002225300000000, 0.0000159000000000 ] - [ 0.0000163700000000, 0.0000205100000000, -0.0002456900000000 ] - [ -0.0000745800000000, 0.0003607800000000, 0.0008062300000000 ] - [ 0.0003216800000000, 0.0001133700000000, -0.0000977100000000 ] - [ 0.0002841300000000, 0.0007331800000000, 0.0002078800000000 ] - [ 0.0002737000000000, -0.0004680000000000, 0.0002712800000000 ] - [ -0.0002605900000000, -0.0006806300000000, 0.0000873600000000 ] - [ -0.0002185300000000, -0.0004496400000000, 0.0006821400000000 ] - [ -0.0006345700000000, -0.0005034700000000, 0.0023433400000000 ] - [ -0.0004750700000000, -0.0003437500000000, 0.0000173300000000 ] - [ 0.0004624300000000, 0.0004977100000000, 0.0018335500000000 ] - [ 0.0003909800000000, 0.0003030900000000, -0.0003157100000000 ] - [ -0.0004526200000000, 0.0009384600000000, 0.0004541200000000 ] - [ -0.0003749800000000, -0.0005988100000000, -0.0010993600000000 ] - [ 0.0003516000000000, -0.0002411500000000, -0.0000905000000000 ] - [ 0.0001357400000000, 0.0000005600000000, 0.0001969900000000 ] - [ -0.0001076300000000, -0.0003698000000000, 0.0008680900000000 ] - [ -0.0003008200000000, 0.0002598600000000, 0.0006575400000000 ] - [ 0.0003231100000000, -0.0008383000000000, -0.0010425500000000 ] - [ -0.0002918100000000, -0.0004887600000000, -0.0002352000000000 ] - [ 0.0000775200000000, -0.0000519000000000, 0.0009294100000000 ] - [ 0.0000651700000000, -0.0008731900000000, -0.0004714800000000 ] - [ 0.0000062200000000, 0.0000891700000000, 0.0000291500000000 ] - [ 0.0008995800000000, 0.0006473300000000, -0.0002721400000000 ] - [ 0.0005699300000000, 0.0007083200000000, 0.0002408800000000 ] - [ 0.0004761500000000, 0.0012246700000000, 0.0001609300000000 ] - [ 0.0003372100000000, 0.0002716700000000, -0.0000755500000000 ] - [ 0.0003387700000000, -0.0002491500000000, 0.0006186900000000 ] - [ -0.0001624300000000, -0.0000389500000000, -0.0002914800000000 ] - [ -0.0003828200000000, 0.0003048400000000, -0.0004158200000000 ] - [ -0.0003442000000000, -0.0026994500000000, 0.0000934300000000 ] - [ -0.0002200200000000, -0.0009554300000000, -0.0015712800000000 ] - [ 0.0000287500000000, 0.0005220800000000, 0.0001198200000000 ] - [ 0.0009037100000000, -0.0017748900000000, 0.0020542200000000 ] - [ 0.0008433000000000, -0.0005136700000000, -0.0002652400000000 ] - [ 0.0003945100000000, -0.0007704200000000, -0.0004665500000000 ] - [ -0.0002662600000000, 0.0003041200000000, -0.0002865200000000 ] - [ -0.0001217900000000, -0.0004607300000000, 0.0002710700000000 ] - [ 0.0000808300000000, 0.0002691600000000, 0.0008326600000000 ] - [ -0.0001044800000000, 0.0005116800000000, 0.0002946000000000 ] - [ -0.0002816500000000, 0.0007522800000000, 0.0000951600000000 ] - [ -0.0028067200000000, 0.0004220700000000, 0.0020450500000000 ] - [ 0.0004963500000000, -0.0019933600000000, -0.0009801900000000 ] - [ 0.0002356200000000, 0.0023351400000000, -0.0011467700000000 ] - [ -0.0022043900000000, 0.0004240100000000, -0.0005947400000000 ] - [ -0.0005816900000000, 0.0006970100000000, 0.0002817100000000 ] - [ 0.0003054000000000, 0.0000897600000000, 0.0002164000000000 ] - [ -0.0086006800000000, -0.0008715300000000, 0.0037830000000000 ] - [ 0.0002963000000000, -0.0001707900000000, -0.0001145400000000 ] - [ -0.0043795800000000, -0.0035458100000000, -0.0000780300000000 ] - [ 0.0002409500000000, -0.0004756100000000, -0.0000191300000000 ] - [ 0.0003277200000000, 0.0003192200000000, -0.0006742000000000 ] - [ -0.0003922800000000, 0.0003911500000000, -0.0006763200000000 ] - [ -0.0002974600000000, -0.0001836800000000, 0.0006441700000000 ] - [ 0.0003061100000000, -0.0002351000000000, -0.0007363100000000 ] - [ -0.0004278100000000, -0.0003597800000000, -0.0004945500000000 ] - [ -0.0000885300000000, 0.0002821000000000, -0.0000731000000000 ] - [ 0.0016535600000000, 0.0000671600000000, -0.0000367500000000 ] - [ -0.0001082500000000, -0.0001386800000000, 0.0008270100000000 ] - [ 0.0001490800000000, 0.0003171100000000, -0.0000921800000000 ] - [ 0.0002697500000000, 0.0004268900000000, 0.0002453900000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008644900000000, 0.0013425300000000, -0.0018141300000000 ] - [ 0.0009319400000000, -0.0017409900000000, 0.0002087600000000 ] - [ -0.0007339400000000, 0.0000765700000000, 0.0000297600000000 ] - [ -0.0004179800000000, -0.0006368500000000, -0.0005322400000000 ] - [ -0.0000138700000000, -0.0005904500000000, -0.0000301500000000 ] - [ 0.0000519700000000, -0.0005881700000000, 0.0001997100000000 ] - [ -0.0000796200000000, -0.0006598700000000, 0.0004677700000000 ] - [ 0.0000848900000000, -0.0005454700000000, 0.0006198700000000 ] - [ -0.0003042600000000, -0.0007446800000000, -0.0005104700000000 ] - [ 0.0011709100000000, 0.0042855100000000, -0.0014773500000000 ] - [ -0.0004850500000000, -0.0014722800000000, -0.0002765000000000 ] - [ -0.0000747800000000, -0.0003183400000000, -0.0002427900000000 ] - [ -0.0000981000000000, -0.0008566600000000, 0.0002919100000000 ] - [ -0.0000419200000000, -0.0005473100000000, 0.0003952700000000 ] - [ 0.0000072000000000, -0.0006524200000000, -0.0000307200000000 ] - [ -0.0094626800000000, 0.0655131900000000, 0.0072512500000000 ] - [ 0.0003591700000000, -0.0005393700000000, -0.0004474200000000 ] - [ 0.0005657300000000, -0.0009552700000000, 0.0002624800000000 ] - [ -0.0003021800000000, 0.0019773000000000, 0.0008174400000000 ] - [ -0.0002545600000000, 0.0006206000000000, -0.0005258600000000 ] - [ 0.0001493200000000, 0.0092790800000000, 0.0144432300000000 ] - [ -0.0005019600000000, 0.0003925600000000, -0.0009067000000000 ] - [ 0.0002391000000000, 0.0003190200000000, -0.0003357500000000 ] - [ 0.0001064600000000, -0.0010306300000000, 0.0014230800000000 ] - [ -0.0004508900000000, 0.0004935100000000, -0.0005215600000000 ] - [ 0.0007259200000000, 0.0001372100000000, 0.0000244200000000 ] - [ -0.0005929100000000, -0.0008835000000000, -0.0004006100000000 ] - [ -0.0001367000000000, -0.0008089700000000, -0.0002373800000000 ] - [ 0.0001618500000000, -0.0003354300000000, 0.0002865200000000 ] - [ 0.0001054100000000, -0.0008693800000000, 0.0013427200000000 ] - [ -0.0005634200000000, 0.0014805700000000, 0.0014384500000000 ] - [ 0.0004005600000000, -0.0004381500000000, -0.0004631000000000 ] - [ -0.0004555200000000, 0.0051188500000000, 0.0047768900000000 ] - [ 0.0007532900000000, -0.0018925900000000, -0.0001112600000000 ] - [ 0.0004507400000000, -0.0012341100000000, -0.0005682900000000 ] - [ 0.0008004900000000, -0.0006385800000000, 0.0000886200000000 ] - [ 0.0002741700000000, -0.0020777200000000, -0.0003421200000000 ] - [ 0.0001931800000000, -0.0012921500000000, -0.0006590000000000 ] - [ -0.0000923100000000, -0.0017388000000000, -0.0001582400000000 ] - [ -0.0203326700000000, 0.0380140000000000, -0.0181238900000000 ] - [ 0.0002542200000000, -0.0012232200000000, 0.0000351900000000 ] - [ -0.0005214200000000, -0.0010498300000000, -0.0007356100000000 ] - [ -0.0007770500000000, -0.0022328000000000, -0.0005648200000000 ] - [ 0.0005188400000000, -0.0012501900000000, -0.0008233800000000 ] - [ 0.0000851800000000, -0.0006128100000000, -0.0011505100000000 ] - [ -0.0006923000000000, -0.0025944100000000, 0.0001262400000000 ] - [ -0.0007486300000000, -0.0002036800000000, 0.0001628400000000 ] - [ -0.0021072700000000, -0.0004535800000000, 0.0051810300000000 ] - [ -0.0000860100000000, -0.0014922200000000, -0.0003372200000000 ] - [ 0.0012776400000000, -0.0033239700000000, 0.0001163700000000 ] - [ -0.0006369600000000, 0.0025594500000000, -0.0021768800000000 ] - [ 0.0006183400000000, 0.0017474600000000, 0.0008711800000000 ] - [ 0.0002668600000000, -0.0010035500000000, -0.0004258100000000 ] - [ 0.0013084400000000, -0.0004227000000000, -0.0077287400000000 ] - [ -0.0003913700000000, -0.0004357500000000, -0.0007334500000000 ] - [ -0.0000929600000000, -0.0004419700000000, -0.0010909500000000 ] - [ 0.0002727300000000, -0.0022681100000000, 0.0003680600000000 ] - [ -0.0010285700000000, 0.0054931600000000, 0.0008498000000000 ] - [ -0.0002242500000000, -0.0011688000000000, -0.0009862600000000 ] - [ 0.0007920100000000, 0.0025214800000000, -0.0000993100000000 ] - [ 0.0001852200000000, 0.0024771900000000, -0.0005442100000000 ] - [ -0.0006354100000000, -0.0004973300000000, 0.0011174700000000 ] - [ -0.0029788600000000, -0.0070091600000000, -0.0031393600000000 ] - [ -0.0004847100000000, -0.0012182400000000, -0.0001717700000000 ] - [ -0.0103219200000000, 0.0127998500000000, 0.0006641600000000 ] - [ -0.0002651700000000, 0.0003775400000000, 0.0006502200000000 ] - [ -0.0000386300000000, 0.0001503400000000, 0.0008357900000000 ] - [ -0.0004751300000000, -0.0001203500000000, 0.0007940900000000 ] - [ -0.0000321800000000, 0.0005282300000000, 0.0000630800000000 ] - [ 0.0000593200000000, 0.0000303300000000, 0.0009555200000000 ] - [ 0.0003280900000000, 0.0010244900000000, -0.0002646300000000 ] - [ -0.0004106800000000, 0.0028338000000000, 0.0004757800000000 ] - [ -0.0002528800000000, 0.0001673400000000, -0.0005385000000000 ] - [ 0.0385128300000000, -0.1113443800000000, -0.0060888900000000 ] - [ 0.0002882300000000, 0.0006257600000000, 0.0003010200000000 ] - [ 0.0000363000000000, 0.0004711400000000, 0.0000399000000000 ] - [ 0.0122133500000000, 0.0002653800000000, 0.0207976600000000 ] - [ -0.0001003500000000, 0.0001570700000000, -0.0001434000000000 ] - [ -0.0002909700000000, 0.0003332200000000, -0.0000879900000000 ] - [ 0.0000043500000000, 0.0004139800000000, 0.0009469600000000 ] - [ 0.0000378300000000, 0.0003717300000000, 0.0000779200000000 ] - [ -0.0002913500000000, 0.0003637600000000, 0.0000718700000000 ] - [ 0.0012773700000000, -0.0002826500000000, -0.0010543000000000 ] - [ 0.0005961400000000, 0.0011596100000000, -0.0001475000000000 ] - [ 0.0001046600000000, 0.0017840700000000, -0.0012330900000000 ] - [ 0.0007923800000000, 0.0011796000000000, 0.0002582600000000 ] - [ 0.0003326400000000, 0.0009066900000000, 0.0008259900000000 ] - [ 0.0000029200000000, 0.0003573000000000, -0.0002012000000000 ] - [ -0.0000753900000000, 0.0005050000000000, -0.0002991700000000 ] - [ -0.0000299100000000, 0.0001574400000000, -0.0000489000000000 ] - [ -0.0005445800000000, -0.0001131600000000, 0.0002007100000000 ] - [ 0.0001432900000000, 0.0010826300000000, 0.0003664800000000 ] - [ 0.0005386600000000, -0.0001385200000000, 0.0001715500000000 ] - [ 0.0007487800000000, -0.0008183500000000, -0.0017563800000000 ] - [ -0.0008950500000000, -0.0001920000000000, -0.0001854300000000 ] - [ -0.0003977400000000, 0.0008117400000000, -0.0001185200000000 ] - [ -0.0002834200000000, -0.0069627100000000, 0.0049195600000000 ] - [ 0.0001157000000000, 0.0008163300000000, 0.0007664000000000 ] - [ -0.0012093500000000, -0.0093693500000000, -0.0029512600000000 ] - [ -0.0003026300000000, 0.0017786400000000, -0.0002621100000000 ] - [ 0.0000199400000000, 0.0002705300000000, 0.0010119000000000 ] - [ 0.0004867400000000, -0.0000231200000000, 0.0007919000000000 ] - [ 0.0001664100000000, 0.0010389300000000, -0.0003587800000000 ] - [ -0.0008472200000000, 0.0009544800000000, -0.0002372100000000 ] - [ -0.0005593600000000, 0.0009239400000000, 0.0008315900000000 ] - [ 0.0002617900000000, 0.0005755700000000, 0.0003307400000000 ] - [ 0.0001394600000000, 0.0001387500000000, -0.0002065200000000 ] - [ 0.0002815000000000, -0.0000342100000000, -0.0001382800000000 ] - [ -0.0003308200000000, 0.0009204400000000, -0.0002445600000000 ] - [ 0.0000884500000000, -0.0000454800000000, 0.0002151300000000 ] - [ -0.0067143900000000, -0.0000545900000000, -0.0090967200000000 ] - [ -0.0003858300000000, 0.0006871700000000, -0.0005845700000000 ] - [ -0.0018831200000000, 0.0006195600000000, 0.0025751800000000 ] - [ 0.0052026400000000, 0.0014804700000000, -0.0071957700000000 ] - [ -0.0003126400000000, 0.0001226900000000, -0.0000607900000000 ] - [ -0.0001749800000000, 0.0010340000000000, -0.0002452900000000 ] - [ -0.0000556900000000, 0.0002384200000000, -0.0001986300000000 ] - [ -0.0001410300000000, 0.0007145600000000, 0.0009910100000000 ] - [ 0.0000105000000000, 0.0005857300000000, -0.0000318600000000 ] - [ 0.0003517100000000, 0.0017214300000000, -0.0002831000000000 ] - [ 0.0002621800000000, 0.0002387700000000, 0.0005865600000000 ] - [ -0.0002316000000000, -0.0019055300000000, -0.0004713500000000 ] - [ 0.0000893100000000, -0.0003523900000000, -0.0001155000000000 ] - [ -0.0012059900000000, -0.0045034100000000, -0.0006723700000000 ] - [ -0.0005977500000000, -0.0009601500000000, 0.0009199000000000 ] - [ -0.0005325800000000, 0.0012738600000000, 0.0024642100000000 ] - [ 0.0002226500000000, 0.0001772000000000, -0.0007006700000000 ] - [ -0.0004200300000000, 0.0015070600000000, 0.0003317300000000 ] - [ -0.0004466400000000, -0.0006584000000000, -0.0002752100000000 ] - [ 0.0003153600000000, 0.0000701900000000, -0.0000874100000000 ] - [ 0.0002104300000000, 0.0002742100000000, 0.0004237600000000 ] - [ 0.0010212400000000, 0.0002316500000000, -0.0024968000000000 ] - [ -0.0003268600000000, 0.0007933600000000, 0.0008297600000000 ] - [ -0.0014599900000000, -0.0018219400000000, -0.0022814100000000 ] - [ -0.0002940200000000, -0.0003330200000000, -0.0002683400000000 ] - [ 0.0000435900000000, -0.0001418100000000, 0.0005923300000000 ] - [ 0.0000756700000000, -0.0013446200000000, -0.0006399500000000 ] - [ -0.0001165200000000, 0.0004771300000000, -0.0000685800000000 ] - [ 0.0008925200000000, 0.0009954400000000, -0.0003178400000000 ] - [ 0.0005897300000000, 0.0011092700000000, 0.0002305900000000 ] - [ 0.0004635900000000, 0.0020391000000000, -0.0002740400000000 ] - [ 0.0003454100000000, 0.0005001900000000, -0.0000379600000000 ] - [ 0.0002996900000000, -0.0009572700000000, 0.0004543200000000 ] - [ -0.0000890800000000, -0.0001372900000000, -0.0003824300000000 ] - [ -0.0004111200000000, 0.0006193100000000, -0.0005638600000000 ] - [ -0.0005674600000000, -0.0007754300000000, -0.0005810500000000 ] - [ -0.0011239400000000, -0.0043166200000000, 0.0011260800000000 ] - [ 0.0001126200000000, 0.0004144900000000, 0.0002419000000000 ] - [ -0.0002986700000000, -0.0048994300000000, 0.0005139500000000 ] - [ 0.0008559200000000, -0.0001750600000000, -0.0002787000000000 ] - [ -0.0015662400000000, -0.0009491500000000, 0.0003764800000000 ] - [ -0.0003780000000000, 0.0003520000000000, -0.0000975000000000 ] - [ -0.0000979100000000, -0.0000994200000000, 0.0002052300000000 ] - [ 0.0000040100000000, 0.0003535100000000, 0.0002419600000000 ] - [ -0.0001144700000000, 0.0007949500000000, 0.0003903000000000 ] - [ -0.0002755400000000, 0.0010079200000000, 0.0001496500000000 ] - [ -0.0009059800000000, 0.0014406400000000, 0.0020749800000000 ] - [ 0.0004571400000000, -0.0037993500000000, -0.0016413300000000 ] - [ 0.0003184900000000, 0.0028351400000000, -0.0013488300000000 ] - [ 0.0014020500000000, -0.0000311200000000, 0.0008706900000000 ] - [ -0.0005938200000000, 0.0012531900000000, 0.0004217600000000 ] - [ 0.0004828300000000, -0.0003407500000000, 0.0001846800000000 ] - [ -0.0021948800000000, 0.0003765300000000, -0.0023039900000000 ] - [ 0.0003923800000000, 0.0007046700000000, 0.0000181500000000 ] - [ 0.0036093500000000, 0.0017658200000000, 0.0003746500000000 ] - [ 0.0002245200000000, -0.0011818900000000, 0.0005271200000000 ] - [ 0.0003808000000000, 0.0006391900000000, -0.0006752600000000 ] - [ 0.0000661800000000, -0.0003475300000000, -0.0003338400000000 ] - [ -0.0002773900000000, 0.0002659500000000, 0.0005981200000000 ] - [ 0.0002569600000000, 0.0000622700000000, -0.0008130400000000 ] - [ -0.0004331100000000, -0.0007755900000000, 0.0000512200000000 ] - [ -0.0001022200000000, 0.0001281900000000, 0.0001054500000000 ] - [ 0.0008663100000000, 0.0010591700000000, 0.0001227300000000 ] - [ -0.0004132800000000, 0.0009484800000000, 0.0016162800000000 ] - [ -0.0000232300000000, 0.0005867800000000, 0.0002678400000000 ] - [ 0.0002715900000000, 0.0006719400000000, -0.0000246900000000 ]- atom: 74 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016044300000000, -0.0014683400000000, 0.0008364600000000 ] - [ 0.0003582100000000, 0.0004467000000000, -0.0001862800000000 ] - [ -0.0005570500000000, 0.0012150200000000, -0.0000045100000000 ] - [ -0.0003201400000000, 0.0007354300000000, -0.0004519600000000 ] - [ 0.0000928800000000, 0.0005640000000000, 0.0000154300000000 ] - [ -0.0000516700000000, 0.0005877700000000, 0.0004109200000000 ] - [ 0.0000792900000000, 0.0006597800000000, 0.0006389200000000 ] - [ -0.0000852300000000, 0.0005447900000000, 0.0004864400000000 ] - [ -0.0004337700000000, 0.0006449100000000, -0.0004736100000000 ] - [ 0.0001131200000000, -0.0029846100000000, 0.0015125700000000 ] - [ -0.0008055700000000, 0.0001782700000000, 0.0003009200000000 ] - [ -0.0000041600000000, 0.0003431900000000, 0.0002281100000000 ] - [ 0.0001790200000000, 0.0008819400000000, -0.0003078900000000 ] - [ 0.0000422100000000, 0.0005465800000000, 0.0002154700000000 ] - [ -0.0000865600000000, 0.0006255800000000, 0.0000159400000000 ] - [ 0.0111558200000000, -0.0688655300000000, -0.0083303400000000 ] - [ 0.0003787700000000, 0.0004404300000000, -0.0005371000000000 ] - [ 0.0007258500000000, -0.0003358800000000, -0.0002373200000000 ] - [ -0.0009870100000000, -0.0006846000000000, -0.0007963900000000 ] - [ -0.0004847300000000, -0.0005243500000000, -0.0004590100000000 ] - [ -0.0000391300000000, -0.0094103300000000, -0.0142365500000000 ] - [ 0.0005008100000000, -0.0003926400000000, 0.0015131100000000 ] - [ -0.0002382500000000, -0.0003183800000000, 0.0014383800000000 ] - [ -0.0001047400000000, 0.0010306600000000, -0.0003103300000000 ] - [ -0.0002859700000000, -0.0005956300000000, -0.0004638300000000 ] - [ 0.0005653600000000, 0.0011550600000000, 0.0000003300000000 ] - [ -0.0006986900000000, -0.0004107000000000, 0.0004259000000000 ] - [ 0.0000571800000000, 0.0008334800000000, 0.0002220100000000 ] - [ -0.0000824200000000, 0.0003636200000000, -0.0003008400000000 ] - [ -0.0001036300000000, 0.0008858000000000, -0.0007294200000000 ] - [ 0.0004864200000000, -0.0015102700000000, -0.0014688300000000 ] - [ 0.0003376700000000, 0.0005374000000000, -0.0005212000000000 ] - [ -0.0001599900000000, -0.0052753900000000, -0.0056361300000000 ] - [ 0.0007414200000000, 0.0000324900000000, 0.0001998700000000 ] - [ 0.0001709100000000, 0.0013607100000000, -0.0002924800000000 ] - [ 0.0006940100000000, 0.0024981600000000, -0.0000003300000000 ] - [ 0.0000799100000000, 0.0008603100000000, -0.0013830600000000 ] - [ 0.0004286800000000, 0.0011649400000000, -0.0002013200000000 ] - [ -0.0008636800000000, 0.0017359800000000, -0.0009546700000000 ] - [ 0.0199228900000000, -0.0370779700000000, 0.0163769400000000 ] - [ 0.0007027200000000, 0.0012215400000000, -0.0011485700000000 ] - [ -0.0004346800000000, 0.0010521800000000, -0.0003776900000000 ] - [ 0.0004089500000000, 0.0010137300000000, -0.0011569100000000 ] - [ 0.0004370800000000, 0.0012531100000000, -0.0002892300000000 ] - [ 0.0002693300000000, 0.0018303000000000, -0.0005755800000000 ] - [ -0.0008025300000000, 0.0007381000000000, -0.0000405100000000 ] - [ -0.0007463500000000, 0.0020625400000000, -0.0000748700000000 ] - [ 0.0014846600000000, 0.0005711500000000, -0.0060155200000000 ] - [ -0.0005356900000000, 0.0013656500000000, -0.0005221800000000 ] - [ 0.0002118200000000, 0.0014765400000000, -0.0000234900000000 ] - [ 0.0012580100000000, -0.0024504100000000, 0.0013265100000000 ] - [ 0.0008781000000000, 0.0001173500000000, -0.0007912300000000 ] - [ 0.0000872400000000, -0.0002151700000000, -0.0013009700000000 ] - [ -0.0006897300000000, 0.0002736300000000, 0.0068560200000000 ] - [ -0.0005647800000000, 0.0004344500000000, -0.0003818600000000 ] - [ -0.0002614900000000, 0.0016595100000000, -0.0006356800000000 ] - [ 0.0006819500000000, 0.0022612100000000, -0.0014769100000000 ] - [ -0.0000038700000000, -0.0054880700000000, -0.0019301300000000 ] - [ -0.0001301700000000, -0.0000468800000000, -0.0007422200000000 ] - [ 0.0001576000000000, -0.0025208100000000, -0.0010176000000000 ] - [ 0.0001709100000000, -0.0012599200000000, -0.0011821700000000 ] - [ -0.0008605300000000, -0.0013586500000000, -0.0010347600000000 ] - [ 0.0014707300000000, 0.0088424500000000, 0.0032202400000000 ] - [ -0.0001369300000000, 0.0013459200000000, -0.0006872800000000 ] - [ 0.0105948300000000, -0.0137015600000000, -0.0001115000000000 ] - [ -0.0002895300000000, -0.0015210600000000, -0.0001263600000000 ] - [ -0.0001387900000000, -0.0008467300000000, 0.0009167700000000 ] - [ -0.0004406600000000, -0.0016828500000000, 0.0000704300000000 ] - [ -0.0002728500000000, -0.0004694400000000, 0.0002123100000000 ] - [ 0.0001176600000000, -0.0007261300000000, 0.0007961500000000 ] - [ 0.0002957200000000, -0.0001746400000000, -0.0001081700000000 ] - [ -0.0005061700000000, -0.0010366800000000, 0.0003900700000000 ] - [ -0.0003896300000000, -0.0007244500000000, -0.0007522600000000 ] - [ -0.0384273300000000, 0.1144432200000000, 0.0058448500000000 ] - [ 0.0000181100000000, -0.0006860200000000, -0.0000257900000000 ] - [ 0.0002684200000000, -0.0004125900000000, 0.0002352400000000 ] - [ -0.0129429200000000, 0.0000772100000000, -0.0196740600000000 ] - [ -0.0001523300000000, -0.0005706000000000, -0.0001366700000000 ] - [ -0.0003333400000000, -0.0011850900000000, -0.0002845800000000 ] - [ -0.0000043100000000, -0.0004147100000000, 0.0010054900000000 ] - [ 0.0001530300000000, -0.0010784600000000, -0.0003425200000000 ] - [ -0.0000130100000000, -0.0004237900000000, 0.0002033100000000 ] - [ 0.0004672000000000, 0.0014440700000000, 0.0005508000000000 ] - [ 0.0005358800000000, 0.0001672900000000, 0.0006594300000000 ] - [ 0.0008140200000000, 0.0000137800000000, 0.0021035300000000 ] - [ -0.0000728600000000, -0.0006105000000000, -0.0004014300000000 ] - [ 0.0002647600000000, -0.0005024400000000, 0.0004600100000000 ] - [ -0.0000028200000000, -0.0003582100000000, -0.0001851500000000 ] - [ -0.0001774000000000, -0.0000926400000000, 0.0000198200000000 ] - [ -0.0001607000000000, -0.0008629900000000, -0.0002151000000000 ] - [ -0.0005876400000000, -0.0012104200000000, 0.0003127600000000 ] - [ 0.0001044400000000, -0.0000473900000000, 0.0002222700000000 ] - [ 0.0005936300000000, -0.0011852100000000, 0.0003418400000000 ] - [ 0.0009892400000000, -0.0003406300000000, 0.0012480400000000 ] - [ -0.0008475800000000, -0.0009689000000000, -0.0003250200000000 ] - [ -0.0003214000000000, -0.0002412300000000, -0.0000261200000000 ] - [ 0.0001040600000000, 0.0059461100000000, -0.0043307500000000 ] - [ 0.0000615400000000, -0.0001210900000000, 0.0009863300000000 ] - [ 0.0010240700000000, 0.0105001200000000, 0.0035871200000000 ] - [ -0.0002517800000000, -0.0006371600000000, 0.0007836300000000 ] - [ -0.0000199600000000, -0.0002709600000000, 0.0009394400000000 ] - [ 0.0004285600000000, -0.0017804500000000, 0.0000725900000000 ] - [ 0.0000241000000000, -0.0003352900000000, 0.0000950300000000 ] - [ -0.0008957800000000, 0.0002057700000000, -0.0002733400000000 ] - [ -0.0005734800000000, 0.0003982900000000, -0.0003211500000000 ] - [ 0.0003356500000000, -0.0009812900000000, 0.0009550300000000 ] - [ 0.0001132900000000, -0.0005521500000000, -0.0000730600000000 ] - [ 0.0003420800000000, -0.0008170700000000, -0.0002338300000000 ] - [ -0.0002927500000000, -0.0000697900000000, -0.0001286200000000 ] - [ 0.0001596000000000, -0.0009910200000000, 0.0003743200000000 ] - [ 0.0074073300000000, 0.0006133200000000, 0.0078288100000000 ] - [ -0.0002567600000000, -0.0001310500000000, -0.0007056400000000 ] - [ 0.0013122300000000, -0.0010359500000000, -0.0013094800000000 ] - [ -0.0046221300000000, -0.0020563600000000, 0.0059568500000000 ] - [ -0.0004066000000000, -0.0006943000000000, -0.0000830500000000 ] - [ -0.0000156400000000, -0.0003296200000000, -0.0000191300000000 ] - [ 0.0000557400000000, -0.0002390600000000, -0.0001875900000000 ] - [ -0.0000360500000000, -0.0000195700000000, 0.0007607200000000 ] - [ 0.0002431300000000, -0.0001723000000000, -0.0002462500000000 ] - [ 0.0002045300000000, -0.0005850700000000, 0.0008094400000000 ] - [ 0.0002922900000000, -0.0013819100000000, -0.0000625300000000 ] - [ -0.0003234400000000, 0.0007627000000000, 0.0009975800000000 ] - [ -0.0002688800000000, -0.0003489900000000, 0.0018745400000000 ] - [ 0.0002930400000000, 0.0027161000000000, 0.0015379700000000 ] - [ 0.0002937000000000, 0.0010182600000000, -0.0006452200000000 ] - [ 0.0006967100000000, -0.0019542000000000, -0.0007150800000000 ] - [ 0.0004046100000000, 0.0006710200000000, 0.0003306900000000 ] - [ -0.0004957300000000, 0.0002943400000000, 0.0005335900000000 ] - [ -0.0001946900000000, 0.0001049900000000, -0.0010138900000000 ] - [ 0.0004040300000000, -0.0006417800000000, -0.0000559400000000 ] - [ 0.0000948900000000, -0.0003333200000000, -0.0001469600000000 ] - [ -0.0006898200000000, -0.0001703100000000, 0.0027281800000000 ] - [ -0.0002705200000000, -0.0003887500000000, 0.0004566500000000 ] - [ 0.0012113300000000, 0.0014026100000000, 0.0020141400000000 ] - [ -0.0003298600000000, -0.0005218900000000, -0.0001036000000000 ] - [ -0.0000436800000000, 0.0001404900000000, 0.0013606800000000 ] - [ 0.0001157300000000, 0.0006406300000000, 0.0003789800000000 ] - [ -0.0001868900000000, -0.0005382400000000, 0.0003418300000000 ] - [ 0.0008503600000000, 0.0001644900000000, -0.0001928200000000 ] - [ 0.0005425000000000, 0.0002122700000000, 0.0002825700000000 ] - [ 0.0004518800000000, -0.0002368400000000, 0.0011379700000000 ] - [ 0.0003738100000000, 0.0000694800000000, -0.0001049000000000 ] - [ 0.0002975300000000, 0.0013663900000000, 0.0008299800000000 ] - [ 0.0000896300000000, 0.0001360000000000, -0.0000018500000000 ] - [ 0.0001567100000000, -0.0002064400000000, 0.0002809800000000 ] - [ 0.0003786700000000, 0.0000528200000000, 0.0003032500000000 ] - [ -0.0000077200000000, 0.0030169700000000, -0.0006085800000000 ] - [ 0.0001358500000000, 0.0006218200000000, 0.0003480900000000 ] - [ 0.0014376300000000, 0.0036003500000000, -0.0000158400000000 ] - [ 0.0008866900000000, -0.0009869200000000, -0.0002318800000000 ] - [ -0.0001735900000000, -0.0002089100000000, -0.0008889200000000 ] - [ -0.0003414200000000, 0.0002187100000000, -0.0000456900000000 ] - [ -0.0001502400000000, -0.0009372600000000, 0.0003840200000000 ] - [ 0.0001738600000000, 0.0003391300000000, 0.0015124900000000 ] - [ -0.0001332500000000, 0.0002398600000000, 0.0001990300000000 ] - [ -0.0002790800000000, 0.0001345700000000, 0.0003743700000000 ] - [ 0.0008780100000000, -0.0014328500000000, -0.0001103900000000 ] - [ 0.0004598500000000, 0.0020007100000000, 0.0025092200000000 ] - [ -0.0001277400000000, -0.0021188400000000, 0.0010705400000000 ] - [ -0.0031526400000000, 0.0011976500000000, -0.0013824700000000 ] - [ -0.0005386300000000, 0.0000696600000000, 0.0000920500000000 ] - [ 0.0001131500000000, -0.0000642400000000, 0.0011032200000000 ] - [ 0.0025134800000000, -0.0008007700000000, 0.0020261800000000 ] - [ 0.0002316200000000, -0.0015516500000000, -0.0003905100000000 ] - [ -0.0042222600000000, -0.0009288800000000, -0.0007366400000000 ] - [ 0.0000224800000000, 0.0001464300000000, 0.0000638900000000 ] - [ 0.0002620000000000, -0.0000831700000000, -0.0006156100000000 ] - [ -0.0007102400000000, 0.0009068400000000, -0.0009575600000000 ] - [ -0.0003202200000000, -0.0006729800000000, 0.0006887400000000 ] - [ 0.0003859000000000, -0.0006198800000000, -0.0004782200000000 ] - [ -0.0002860200000000, 0.0002043100000000, -0.0001940800000000 ] - [ -0.0000882700000000, 0.0005747500000000, -0.0003678800000000 ] - [ -0.0008620800000000, -0.0010480800000000, -0.0005060900000000 ] - [ 0.0002345800000000, -0.0002525500000000, 0.0001392400000000 ] - [ 0.0002755400000000, -0.0001744000000000, -0.0005460200000000 ] - [ 0.0002833400000000, 0.0004675600000000, 0.0005510000000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001294600000000, -0.0015460000000000, 0.0031141100000000 ] - [ 0.0005232700000000, 0.0003781500000000, 0.0005838300000000 ] - [ -0.0006351800000000, 0.0006553300000000, 0.0000611000000000 ] - [ -0.0003736800000000, 0.0000506900000000, -0.0004095000000000 ] - [ 0.0000459400000000, -0.0000306200000000, -0.0000564300000000 ] - [ 0.0000467100000000, -0.0001924800000000, 0.0002950400000000 ] - [ -0.0000352300000000, -0.0002471400000000, 0.0005167900000000 ] - [ -0.0000387600000000, 0.0002174200000000, 0.0005470800000000 ] - [ -0.0003661900000000, -0.0000869000000000, -0.0004123700000000 ] - [ 0.0006286800000000, 0.0005172700000000, 0.0022224100000000 ] - [ -0.0005105900000000, -0.0010066500000000, 0.0001034600000000 ] - [ -0.0000822900000000, -0.0005122100000000, -0.0005040600000000 ] - [ -0.0000724400000000, 0.0009117200000000, 0.0005167900000000 ] - [ 0.0000364300000000, 0.0002103800000000, 0.0002897400000000 ] - [ -0.0000340600000000, 0.0000164600000000, 0.0000428700000000 ] - [ 0.0014291600000000, 0.0007224800000000, 0.0046808500000000 ] - [ 0.0003693500000000, -0.0000178400000000, -0.0005667700000000 ] - [ 0.0007092600000000, -0.0003842500000000, -0.0001413600000000 ] - [ -0.0002536100000000, 0.0008307100000000, -0.0021548300000000 ] - [ -0.0001659900000000, -0.0001195000000000, -0.0019468400000000 ] - [ 0.0032623800000000, 0.0126865900000000, 0.0311729500000000 ] - [ -0.0001209300000000, -0.0003353400000000, -0.0006357300000000 ] - [ -0.0000077000000000, -0.0005905000000000, -0.0000656000000000 ] - [ -0.0004257900000000, 0.0021907800000000, 0.0008671800000000 ] - [ -0.0003971800000000, -0.0001394900000000, -0.0019610200000000 ] - [ 0.0006531900000000, 0.0006449200000000, -0.0000413500000000 ] - [ -0.0007874500000000, -0.0011998400000000, -0.0007280600000000 ] - [ -0.0000235100000000, -0.0005073100000000, 0.0001040700000000 ] - [ 0.0000802300000000, 0.0004027900000000, -0.0001148500000000 ] - [ 0.0000400000000000, 0.0022620100000000, 0.0006431600000000 ] - [ -0.0001030900000000, 0.0002207400000000, -0.0030683000000000 ] - [ 0.0003650900000000, 0.0000621500000000, -0.0005638300000000 ] - [ -0.0016818400000000, 0.0065366500000000, -0.0047069300000000 ] - [ 0.0007959100000000, -0.0009332100000000, -0.0003189500000000 ] - [ 0.0003221500000000, -0.0000744900000000, -0.0005187300000000 ] - [ 0.0006577100000000, 0.0011392100000000, 0.0006675300000000 ] - [ 0.0001250900000000, -0.0005231400000000, -0.0005399100000000 ] - [ 0.0002932900000000, -0.0002483000000000, -0.0004254600000000 ] - [ -0.0000127900000000, -0.0019513400000000, 0.0011118100000000 ] - [ 0.0471476200000000, -0.0158331200000000, 0.0742488900000000 ] - [ 0.0006805800000000, 0.0011921600000000, -0.0015993000000000 ] - [ -0.0005094300000000, 0.0000521300000000, -0.0006276400000000 ] - [ 0.0000791900000000, -0.0015685400000000, -0.0000622600000000 ] - [ 0.0004297200000000, -0.0000462200000000, -0.0004776900000000 ] - [ 0.0001810600000000, 0.0006173500000000, -0.0007950400000000 ] - [ -0.0007194500000000, -0.0008570200000000, 0.0004875500000000 ] - [ -0.0008441400000000, 0.0007971900000000, -0.0004994900000000 ] - [ -0.0009092600000000, 0.0028429500000000, -0.0036154500000000 ] - [ -0.0003405000000000, 0.0001431500000000, -0.0004612600000000 ] - [ 0.0013253600000000, -0.0061553200000000, 0.0047954700000000 ] - [ 0.0002207400000000, -0.0030063400000000, -0.0011110000000000 ] - [ 0.0009588800000000, 0.0015587100000000, -0.0020149500000000 ] - [ 0.0001395900000000, 0.0004938800000000, -0.0020072000000000 ] - [ 0.0007643600000000, -0.0040679600000000, -0.0079111900000000 ] - [ -0.0005393500000000, -0.0000701400000000, -0.0010095200000000 ] - [ -0.0001769500000000, 0.0006140800000000, -0.0009255400000000 ] - [ 0.0001871200000000, 0.0003039900000000, -0.0000409000000000 ] - [ -0.0004205800000000, 0.0015952400000000, 0.0053381200000000 ] - [ -0.0001953200000000, -0.0004930100000000, -0.0012490000000000 ] - [ 0.0017769100000000, -0.0018013400000000, -0.0032001500000000 ] - [ -0.0000621300000000, -0.0012851600000000, -0.0040209400000000 ] - [ -0.0009242900000000, -0.0001253200000000, -0.0018866800000000 ] - [ -0.0006206200000000, 0.0011554700000000, 0.0037051300000000 ] - [ -0.0002996400000000, 0.0001913900000000, -0.0003638400000000 ] - [ -0.0029579800000000, -0.0005708700000000, -0.0079559400000000 ] - [ -0.0002706400000000, -0.0005325800000000, 0.0001616000000000 ] - [ -0.0000905300000000, -0.0004387300000000, 0.0008033700000000 ] - [ -0.0004541900000000, -0.0009223700000000, 0.0004325300000000 ] - [ -0.0001114000000000, 0.0001150100000000, 0.0001131000000000 ] - [ 0.0000876500000000, -0.0002828700000000, 0.0009610000000000 ] - [ 0.0003117600000000, 0.0003746400000000, -0.0002486900000000 ] - [ -0.0002127100000000, 0.0044409900000000, 0.0003425500000000 ] - [ -0.0003082600000000, -0.0002009100000000, -0.0007089500000000 ] - [ -0.0622585800000000, -0.0071339400000000, -0.1160657400000000 ] - [ 0.0004249400000000, 0.0005548600000000, 0.0000275900000000 ] - [ 0.0001852400000000, -0.0000378800000000, 0.0001651200000000 ] - [ 0.0060215400000000, 0.0089815400000000, 0.0135866300000000 ] - [ -0.0001231700000000, -0.0001973100000000, -0.0001571600000000 ] - [ -0.0003117200000000, -0.0007391400000000, -0.0004719900000000 ] - [ 0.0000261200000000, -0.0000619100000000, 0.0008361800000000 ] - [ 0.0000823600000000, -0.0003250400000000, -0.0002343200000000 ] - [ -0.0000630800000000, -0.0003538500000000, 0.0002694600000000 ] - [ 0.0013566400000000, -0.0024277700000000, 0.0016073800000000 ] - [ 0.0005005700000000, -0.0008710800000000, 0.0001579800000000 ] - [ 0.0004149300000000, -0.0005204700000000, 0.0015258000000000 ] - [ 0.0000324300000000, -0.0000437800000000, -0.0010660300000000 ] - [ 0.0002954400000000, 0.0001221300000000, 0.0005702800000000 ] - [ -0.0000265500000000, -0.0000287200000000, -0.0003687700000000 ] - [ -0.0001683700000000, -0.0001366800000000, 0.0001368100000000 ] - [ -0.0001169200000000, -0.0003744100000000, -0.0000328200000000 ] - [ -0.0005630600000000, -0.0006326700000000, 0.0002529500000000 ] - [ 0.0001257600000000, 0.0004525700000000, 0.0001226300000000 ] - [ 0.0005679100000000, -0.0006921700000000, 0.0002627300000000 ] - [ -0.0000792500000000, -0.0022618900000000, 0.0005825900000000 ] - [ -0.0008543600000000, -0.0005224000000000, -0.0002445200000000 ] - [ -0.0003123900000000, 0.0003316200000000, -0.0003500100000000 ] - [ 0.0034914000000000, 0.0046796800000000, -0.0107818000000000 ] - [ 0.0000178000000000, 0.0001323300000000, 0.0006491600000000 ] - [ -0.0002197000000000, 0.0033826200000000, -0.0013029900000000 ] - [ -0.0002814600000000, 0.0005217800000000, -0.0003142100000000 ] - [ 0.0000213800000000, 0.0000266600000000, 0.0011147800000000 ] - [ 0.0004606500000000, -0.0008819900000000, 0.0004353900000000 ] - [ 0.0000883600000000, -0.0000626600000000, 0.0002659400000000 ] - [ -0.0008715800000000, 0.0006215400000000, -0.0002514300000000 ] - [ -0.0005864100000000, 0.0014240700000000, 0.0004656200000000 ] - [ 0.0003026600000000, -0.0001499700000000, 0.0005356900000000 ] - [ 0.0001237200000000, -0.0002222400000000, -0.0001142300000000 ] - [ 0.0002541200000000, -0.0001641500000000, 0.0000888000000000 ] - [ -0.0003126600000000, 0.0004485300000000, -0.0001285400000000 ] - [ 0.0001104800000000, -0.0004924200000000, 0.0002489300000000 ] - [ 0.0047851700000000, -0.0014002100000000, 0.0019733800000000 ] - [ -0.0003203000000000, 0.0003149000000000, -0.0007139200000000 ] - [ -0.0000338000000000, 0.0007865400000000, -0.0004567000000000 ] - [ -0.0019584500000000, -0.0029404700000000, -0.0002977800000000 ] - [ -0.0003394600000000, -0.0002746100000000, -0.0001331100000000 ] - [ -0.0001251200000000, 0.0008171700000000, -0.0005633400000000 ] - [ -0.0000059900000000, 0.0000210200000000, -0.0000468100000000 ] - [ -0.0001469300000000, 0.0004842000000000, 0.0010927900000000 ] - [ -0.0001072300000000, 0.0005785100000000, -0.0003197700000000 ] - [ 0.0002021600000000, 0.0009092700000000, -0.0001874200000000 ] - [ 0.0002860900000000, -0.0006207600000000, 0.0003474800000000 ] - [ -0.0002621800000000, 0.0001331300000000, 0.0015231800000000 ] - [ -0.0004121100000000, -0.0012379600000000, 0.0022492400000000 ] - [ -0.0012546700000000, 0.0006072100000000, 0.0017574100000000 ] - [ -0.0003834800000000, 0.0004585600000000, 0.0015524100000000 ] - [ -0.0005878200000000, 0.0010270400000000, 0.0007671500000000 ] - [ 0.0004204000000000, -0.0002926400000000, 0.0008952000000000 ] - [ -0.0004489200000000, 0.0010709500000000, 0.0004186900000000 ] - [ -0.0002564300000000, 0.0003914800000000, 0.0006720500000000 ] - [ 0.0003782700000000, -0.0003014600000000, -0.0000153800000000 ] - [ 0.0002771500000000, 0.0002677100000000, 0.0003729800000000 ] - [ -0.0004411400000000, -0.0027491100000000, 0.0019205700000000 ] - [ -0.0002996900000000, 0.0002673700000000, 0.0007116500000000 ] - [ -0.0035707000000000, -0.0001923300000000, -0.0045856000000000 ] - [ -0.0003422700000000, -0.0008356700000000, 0.0000735100000000 ] - [ 0.0000362800000000, -0.0002105800000000, 0.0016170600000000 ] - [ 0.0000375900000000, 0.0002605700000000, 0.0009836600000000 ] - [ 0.0001532400000000, -0.0005104600000000, -0.0001601100000000 ] - [ 0.0008644800000000, 0.0005379700000000, -0.0002533000000000 ] - [ 0.0005563000000000, 0.0005210800000000, 0.0002201400000000 ] - [ 0.0004825100000000, 0.0006659300000000, 0.0004941700000000 ] - [ 0.0003628500000000, 0.0002519700000000, 0.0001282800000000 ] - [ 0.0006059200000000, 0.0008270800000000, 0.0036698400000000 ] - [ 0.0000145100000000, -0.0001494500000000, 0.0004324700000000 ] - [ -0.0001280400000000, 0.0001696200000000, -0.0003509100000000 ] - [ 0.0000599400000000, -0.0026749300000000, -0.0042222800000000 ] - [ -0.0012349100000000, -0.0001446700000000, 0.0028356100000000 ] - [ 0.0003125000000000, 0.0005352600000000, 0.0008886000000000 ] - [ -0.0083691800000000, -0.0078092100000000, 0.0058089900000000 ] - [ 0.0008969800000000, -0.0006326800000000, -0.0002607800000000 ] - [ -0.0018773400000000, 0.0002231500000000, 0.0003120000000000 ] - [ -0.0005728600000000, 0.0003115200000000, 0.0006469700000000 ] - [ -0.0001358300000000, -0.0005481600000000, 0.0003383800000000 ] - [ 0.0000523100000000, -0.0001274400000000, 0.0014093700000000 ] - [ -0.0000999500000000, 0.0005348300000000, 0.0004416100000000 ] - [ -0.0002612500000000, 0.0003189900000000, 0.0006749000000000 ] - [ 0.0020135200000000, 0.0010223500000000, 0.0000905500000000 ] - [ -0.0001389100000000, -0.0001436400000000, 0.0024821600000000 ] - [ 0.0000403400000000, 0.0003878800000000, -0.0010801800000000 ] - [ 0.0008513300000000, 0.0013826100000000, 0.0007565000000000 ] - [ -0.0005485000000000, 0.0008159800000000, 0.0003002100000000 ] - [ 0.0005115500000000, -0.0013302000000000, 0.0020666100000000 ] - [ 0.0066948200000000, -0.0030146500000000, 0.0014013400000000 ] - [ 0.0004820100000000, 0.0002783200000000, -0.0005410000000000 ] - [ 0.0085607400000000, 0.0082452800000000, -0.0029264600000000 ] - [ 0.0004321000000000, -0.0005158700000000, 0.0015802600000000 ] - [ 0.0003203700000000, 0.0002421100000000, -0.0005811400000000 ] - [ -0.0002295200000000, 0.0005939200000000, 0.0007963300000000 ] - [ -0.0003056600000000, -0.0002812700000000, 0.0007558400000000 ] - [ 0.0003371200000000, -0.0003438700000000, -0.0005764700000000 ] - [ -0.0007822800000000, -0.0001615800000000, 0.0012877700000000 ] - [ -0.0001545000000000, 0.0001824600000000, 0.0004962700000000 ] - [ -0.0002590100000000, 0.0002593300000000, -0.0013630400000000 ] - [ -0.0003920300000000, 0.0014657100000000, 0.0011658300000000 ] - [ -0.0000112900000000, 0.0003819400000000, 0.0002089700000000 ] - [ 0.0003058200000000, 0.0003071900000000, 0.0007366500000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006067600000000, 0.0014377900000000, -0.0040948700000000 ] - [ 0.0007697100000000, -0.0016718400000000, -0.0005568500000000 ] - [ -0.0006557200000000, 0.0006394100000000, -0.0000327200000000 ] - [ -0.0003652100000000, 0.0000513600000000, -0.0005758100000000 ] - [ 0.0000308000000000, 0.0000062700000000, 0.0000408900000000 ] - [ -0.0000469100000000, 0.0001932400000000, 0.0003152100000000 ] - [ 0.0000351900000000, 0.0002482100000000, 0.0005894300000000 ] - [ 0.0000385800000000, -0.0002173000000000, 0.0005588700000000 ] - [ -0.0003727300000000, -0.0000142600000000, -0.0005729500000000 ] - [ 0.0006673100000000, 0.0007699100000000, -0.0021883300000000 ] - [ -0.0007806500000000, -0.0002875800000000, -0.0000749500000000 ] - [ 0.0000044300000000, 0.0005361300000000, 0.0004886700000000 ] - [ 0.0001480300000000, -0.0008862500000000, -0.0005314400000000 ] - [ -0.0000362100000000, -0.0002102300000000, 0.0003207600000000 ] - [ -0.0000429600000000, -0.0000412200000000, -0.0000584100000000 ] - [ -0.0007119700000000, -0.0002919300000000, -0.0054740300000000 ] - [ 0.0003694700000000, -0.0000832100000000, -0.0004188900000000 ] - [ 0.0005818900000000, -0.0009099400000000, 0.0001695900000000 ] - [ -0.0010320600000000, 0.0004654300000000, 0.0021846600000000 ] - [ -0.0005731100000000, 0.0002195300000000, 0.0009596500000000 ] - [ -0.0030525300000000, -0.0118415200000000, -0.0294020100000000 ] - [ 0.0001211300000000, 0.0003443200000000, 0.0012485500000000 ] - [ 0.0000079900000000, 0.0005918400000000, 0.0011714600000000 ] - [ 0.0004335800000000, -0.0021973000000000, 0.0002359400000000 ] - [ -0.0003413500000000, 0.0000361900000000, 0.0009732400000000 ] - [ 0.0006379300000000, 0.0006502300000000, 0.0000694400000000 ] - [ -0.0005021200000000, -0.0000949500000000, 0.0007582100000000 ] - [ -0.0000528900000000, 0.0005321700000000, -0.0001192600000000 ] - [ -0.0000035700000000, -0.0003773800000000, 0.0000991500000000 ] - [ -0.0000402600000000, -0.0022588500000000, -0.0000340600000000 ] - [ 0.0000261100000000, -0.0002458300000000, 0.0030501700000000 ] - [ 0.0003738900000000, 0.0000399800000000, -0.0004216500000000 ] - [ 0.0010603400000000, -0.0066434000000000, 0.0038592200000000 ] - [ 0.0007006000000000, -0.0009258100000000, 0.0004067600000000 ] - [ 0.0002997400000000, 0.0002017400000000, -0.0003393900000000 ] - [ 0.0008388000000000, 0.0007214800000000, -0.0005811700000000 ] - [ 0.0002271400000000, -0.0006930800000000, -0.0011894200000000 ] - [ 0.0003287500000000, 0.0001226500000000, -0.0004322900000000 ] - [ -0.0009441100000000, 0.0019547300000000, -0.0022261800000000 ] - [ -0.0500731900000000, 0.0180164800000000, -0.0775015900000000 ] - [ 0.0002760000000000, -0.0011940300000000, 0.0004877000000000 ] - [ -0.0004477800000000, -0.0000498200000000, -0.0004838500000000 ] - [ -0.0004427000000000, 0.0003383600000000, -0.0016592800000000 ] - [ 0.0005276200000000, 0.0000486300000000, -0.0006336900000000 ] - [ 0.0001718700000000, 0.0006008900000000, -0.0009333500000000 ] - [ -0.0007765600000000, -0.0010034400000000, -0.0003999800000000 ] - [ -0.0006522500000000, 0.0010632900000000, 0.0005874100000000 ] - [ 0.0002648300000000, -0.0027232800000000, 0.0027710000000000 ] - [ -0.0002817500000000, -0.0002679100000000, -0.0003967200000000 ] - [ 0.0001726500000000, 0.0043040300000000, -0.0047045300000000 ] - [ 0.0004012400000000, 0.0031424900000000, 0.0002403600000000 ] - [ 0.0005390300000000, 0.0003027800000000, 0.0021005500000000 ] - [ 0.0002132700000000, -0.0017089400000000, 0.0002768300000000 ] - [ -0.0001511400000000, 0.0039065600000000, 0.0070815400000000 ] - [ -0.0004172500000000, 0.0000700000000000, -0.0001023800000000 ] - [ -0.0001759300000000, 0.0006041300000000, -0.0008030800000000 ] - [ 0.0007719700000000, -0.0003019700000000, -0.0010729600000000 ] - [ -0.0005663700000000, -0.0015730600000000, -0.0064909200000000 ] - [ -0.0001573800000000, -0.0007226000000000, -0.0004811400000000 ] - [ -0.0008120000000000, 0.0017987200000000, 0.0020830100000000 ] - [ 0.0004112200000000, 0.0024928100000000, 0.0022885300000000 ] - [ -0.0005725400000000, -0.0017315400000000, 0.0019769100000000 ] - [ -0.0008658700000000, 0.0007342600000000, -0.0036000800000000 ] - [ -0.0003221500000000, -0.0000637600000000, -0.0004939800000000 ] - [ 0.0035392400000000, -0.0005912000000000, 0.0084869000000000 ] - [ -0.0002833200000000, -0.0006055500000000, 0.0003637400000000 ] - [ -0.0000828000000000, -0.0002606000000000, 0.0009528600000000 ] - [ -0.0004615900000000, -0.0008854800000000, 0.0004316700000000 ] - [ -0.0001849700000000, -0.0000600600000000, 0.0001590800000000 ] - [ 0.0000854500000000, -0.0004164900000000, 0.0007948000000000 ] - [ 0.0003117800000000, 0.0004762000000000, -0.0001268700000000 ] - [ -0.0007083600000000, -0.0026617600000000, 0.0005163500000000 ] - [ -0.0003350700000000, -0.0003603100000000, -0.0005861600000000 ] - [ 0.0656658200000000, 0.0048061900000000, 0.1156370000000000 ] - [ -0.0001308000000000, -0.0006134600000000, 0.0002433600000000 ] - [ 0.0001108100000000, 0.0000930600000000, 0.0001067100000000 ] - [ -0.0067770300000000, -0.0087861400000000, -0.0124306400000000 ] - [ -0.0001340700000000, -0.0002171900000000, -0.0001233600000000 ] - [ -0.0003124000000000, -0.0001122300000000, 0.0000972300000000 ] - [ -0.0000258900000000, 0.0000618900000000, 0.0011027300000000 ] - [ 0.0001080400000000, -0.0003776500000000, -0.0000237900000000 ] - [ -0.0002329000000000, 0.0002981000000000, 0.0000025700000000 ] - [ 0.0003929500000000, 0.0035419200000000, -0.0020933300000000 ] - [ 0.0006328100000000, 0.0021898500000000, 0.0003569600000000 ] - [ 0.0004980100000000, 0.0023262800000000, -0.0006634700000000 ] - [ 0.0006926400000000, 0.0006136700000000, 0.0009216700000000 ] - [ 0.0003015200000000, 0.0002799000000000, 0.0007119900000000 ] - [ 0.0000262300000000, 0.0000284500000000, -0.0000083000000000 ] - [ -0.0000886700000000, 0.0005505700000000, -0.0004169400000000 ] - [ -0.0000733200000000, -0.0003282800000000, -0.0002255500000000 ] - [ -0.0005691700000000, -0.0006908600000000, 0.0002634900000000 ] - [ 0.0001240300000000, 0.0005824800000000, 0.0004653700000000 ] - [ 0.0005643700000000, -0.0006315300000000, 0.0002538400000000 ] - [ 0.0018153900000000, 0.0011032000000000, -0.0010946000000000 ] - [ -0.0008882900000000, -0.0006271300000000, -0.0002647300000000 ] - [ -0.0004121700000000, 0.0002368800000000, 0.0002059500000000 ] - [ -0.0037313100000000, -0.0057716300000000, 0.0114467600000000 ] - [ 0.0001552600000000, 0.0005666800000000, 0.0011069700000000 ] - [ -0.0000280700000000, -0.0024387500000000, 0.0018423600000000 ] - [ -0.0002726400000000, 0.0006141200000000, 0.0008387600000000 ] - [ -0.0000213400000000, -0.0000269100000000, 0.0008232300000000 ] - [ 0.0004548000000000, -0.0009261700000000, 0.0004289600000000 ] - [ 0.0001019000000000, 0.0007648600000000, -0.0005243100000000 ] - [ -0.0008711300000000, 0.0005278900000000, -0.0002578800000000 ] - [ -0.0005462500000000, -0.0000985600000000, 0.0000532500000000 ] - [ 0.0002944200000000, -0.0002531800000000, 0.0007468200000000 ] - [ 0.0001337100000000, -0.0001921300000000, -0.0001662400000000 ] - [ 0.0003695600000000, -0.0006880300000000, -0.0004643700000000 ] - [ -0.0003107800000000, 0.0004026600000000, -0.0002473300000000 ] - [ 0.0001393800000000, -0.0005434400000000, 0.0003394500000000 ] - [ -0.0041418900000000, 0.0019469800000000, -0.0032932800000000 ] - [ -0.0003229900000000, 0.0002456500000000, -0.0005805100000000 ] - [ -0.0005766200000000, -0.0011749700000000, 0.0017523700000000 ] - [ 0.0026103500000000, 0.0023699300000000, -0.0010300300000000 ] - [ -0.0003846800000000, -0.0002947000000000, -0.0000106400000000 ] - [ -0.0000647600000000, -0.0001167400000000, 0.0003059900000000 ] - [ 0.0000061800000000, -0.0000213500000000, -0.0003306700000000 ] - [ -0.0000261900000000, 0.0002148400000000, 0.0006630800000000 ] - [ 0.0003665600000000, -0.0001654500000000, 0.0000371900000000 ] - [ 0.0003522400000000, 0.0002292700000000, 0.0007112100000000 ] - [ 0.0002676200000000, -0.0005170800000000, 0.0001776500000000 ] - [ -0.0002912500000000, -0.0012694500000000, -0.0009958600000000 ] - [ 0.0002369400000000, 0.0005362900000000, -0.0004912100000000 ] - [ 0.0003624100000000, -0.0024212200000000, -0.0009063200000000 ] - [ 0.0000833400000000, -0.0004033000000000, -0.0012767800000000 ] - [ 0.0007720300000000, -0.0017304800000000, 0.0010188300000000 ] - [ 0.0002052900000000, 0.0011435800000000, -0.0012720000000000 ] - [ -0.0004669600000000, 0.0007357700000000, 0.0004459200000000 ] - [ -0.0003843700000000, -0.0009471100000000, -0.0019648400000000 ] - [ 0.0003460700000000, -0.0002678100000000, -0.0001280100000000 ] - [ 0.0000189100000000, -0.0003232500000000, -0.0001010800000000 ] - [ 0.0007614000000000, 0.0028567100000000, -0.0016848700000000 ] - [ -0.0002972300000000, 0.0001349600000000, 0.0005708300000000 ] - [ 0.0032566500000000, -0.0002161600000000, 0.0042223100000000 ] - [ -0.0002813900000000, -0.0000164100000000, -0.0004483900000000 ] - [ -0.0000357500000000, 0.0002105300000000, 0.0003198600000000 ] - [ 0.0001512300000000, -0.0009667300000000, -0.0012465200000000 ] - [ -0.0004517300000000, 0.0004550800000000, 0.0004334000000000 ] - [ 0.0008781300000000, 0.0006111300000000, -0.0002559300000000 ] - [ 0.0005759800000000, 0.0008015000000000, 0.0002963500000000 ] - [ 0.0004328000000000, 0.0011402400000000, 0.0003716200000000 ] - [ 0.0003613200000000, 0.0003166300000000, -0.0002716200000000 ] - [ -0.0000088000000000, -0.0004203600000000, -0.0023680500000000 ] - [ -0.0000159800000000, 0.0001490600000000, -0.0008100000000000 ] - [ -0.0001283900000000, 0.0002440600000000, 0.0000708800000000 ] - [ -0.0002439600000000, 0.0019598100000000, 0.0039480500000000 ] - [ 0.0000997500000000, -0.0011619100000000, -0.0023004500000000 ] - [ -0.0000617700000000, 0.0004992800000000, -0.0002994800000000 ] - [ 0.0094020500000000, 0.0064312300000000, -0.0052498300000000 ] - [ 0.0008456200000000, -0.0005177000000000, -0.0002483900000000 ] - [ 0.0001424900000000, -0.0013709200000000, -0.0008215800000000 ] - [ -0.0001515000000000, 0.0002574300000000, -0.0007900000000000 ] - [ -0.0001140400000000, -0.0004878100000000, 0.0002497100000000 ] - [ 0.0001224100000000, 0.0008266600000000, 0.0003463700000000 ] - [ -0.0001496400000000, 0.0005002100000000, 0.0001463900000000 ] - [ -0.0002926400000000, 0.0008179000000000, -0.0001488100000000 ] - [ -0.0020023600000000, -0.0010203400000000, 0.0018476500000000 ] - [ 0.0010528000000000, -0.0016631300000000, -0.0016164000000000 ] - [ 0.0001472300000000, 0.0003048600000000, 0.0008239500000000 ] - [ -0.0025979700000000, -0.0002302700000000, -0.0012686700000000 ] - [ -0.0005837800000000, 0.0005070700000000, 0.0002163100000000 ] - [ 0.0000884800000000, 0.0009253000000000, -0.0007798000000000 ] - [ -0.0064545200000000, 0.0026046100000000, -0.0016936600000000 ] - [ 0.0001428900000000, -0.0011299100000000, 0.0001664700000000 ] - [ -0.0091312500000000, -0.0073573100000000, 0.0025409400000000 ] - [ -0.0001802900000000, -0.0005161000000000, -0.0009907900000000 ] - [ 0.0003230900000000, 0.0003183600000000, -0.0007134200000000 ] - [ -0.0004151200000000, -0.0000322100000000, -0.0020941500000000 ] - [ -0.0002914600000000, -0.0001222700000000, 0.0005269100000000 ] - [ 0.0003064300000000, -0.0002172300000000, -0.0007181800000000 ] - [ 0.0000559000000000, -0.0004046900000000, -0.0014309000000000 ] - [ -0.0000359700000000, 0.0005187900000000, -0.0007537600000000 ] - [ 0.0002536600000000, -0.0002591800000000, 0.0009852800000000 ] - [ 0.0002163300000000, -0.0007642100000000, 0.0005944700000000 ] - [ 0.0002681400000000, 0.0000327300000000, -0.0004889100000000 ] - [ 0.0002481000000000, 0.0008273900000000, -0.0002106700000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003581700000000, 0.0003616500000000, 0.0011252100000000 ] - [ 0.0009103300000000, -0.0005411500000000, -0.0005652000000000 ] - [ -0.0006381800000000, 0.0006940300000000, 0.0000049700000000 ] - [ -0.0003640700000000, 0.0001081600000000, -0.0004899400000000 ] - [ 0.0000461200000000, 0.0000394000000000, 0.0000016400000000 ] - [ 0.0000009200000000, 0.0001002400000000, 0.0003134500000000 ] - [ -0.0000093300000000, 0.0000331300000000, 0.0005149200000000 ] - [ 0.0000015400000000, 0.0000207900000000, 0.0005400700000000 ] - [ -0.0003734700000000, 0.0000086200000000, -0.0004926100000000 ] - [ 0.0001248900000000, 0.0011323700000000, 0.0017570700000000 ] - [ -0.0006483400000000, -0.0005864700000000, 0.0000274100000000 ] - [ -0.0001249000000000, 0.0010401900000000, 0.0004237300000000 ] - [ -0.0000123200000000, -0.0002170000000000, 0.0002524900000000 ] - [ -0.0000114200000000, 0.0000209100000000, 0.0002877700000000 ] - [ -0.0000444200000000, 0.0000400300000000, -0.0000094700000000 ] - [ 0.0046222400000000, -0.0013936700000000, 0.0015140100000000 ] - [ 0.0003705500000000, -0.0000067000000000, -0.0004933300000000 ] - [ 0.0006473400000000, -0.0006208700000000, -0.0000062300000000 ] - [ -0.0010550900000000, 0.0001549200000000, 0.0006830000000000 ] - [ -0.0002877300000000, -0.0000926600000000, -0.0008460600000000 ] - [ 0.0003416100000000, -0.0007263500000000, -0.0017405100000000 ] - [ 0.0000329800000000, 0.0000343200000000, 0.0003715400000000 ] - [ 0.0000017800000000, 0.0000341900000000, 0.0006011500000000 ] - [ 0.0000107500000000, 0.0001039500000000, 0.0005375500000000 ] - [ -0.0004511700000000, -0.0002791500000000, -0.0002796900000000 ] - [ 0.0006374400000000, 0.0006909500000000, 0.0000159900000000 ] - [ -0.0008861100000000, -0.0008111700000000, -0.0001928600000000 ] - [ -0.0000420700000000, 0.0000811100000000, -0.0000007300000000 ] - [ 0.0000323900000000, 0.0000395000000000, -0.0000292200000000 ] - [ -0.0000175400000000, 0.0000239200000000, 0.0001972200000000 ] - [ 0.0006052800000000, 0.0004229600000000, -0.0003678100000000 ] - [ 0.0003671200000000, 0.0000932800000000, -0.0004917900000000 ] - [ -0.0002334400000000, -0.0003385900000000, -0.0001976100000000 ] - [ 0.0007354200000000, -0.0008082300000000, 0.0000866100000000 ] - [ 0.0002990200000000, 0.0001730800000000, -0.0004254700000000 ] - [ 0.0006833300000000, 0.0010305500000000, 0.0000475300000000 ] - [ 0.0001624800000000, -0.0004813300000000, -0.0009032700000000 ] - [ 0.0003224900000000, 0.0000438300000000, -0.0004181100000000 ] - [ 0.0010118400000000, -0.0009489500000000, 0.0005682200000000 ] - [ 0.0157663100000000, -0.0052866400000000, 0.0007007400000000 ] - [ 0.0004531400000000, -0.0001212000000000, -0.0004929500000000 ] - [ -0.0004691400000000, 0.0000861200000000, -0.0005380900000000 ] - [ -0.0034861400000000, -0.0002798800000000, -0.0006846300000000 ] - [ 0.0004568600000000, 0.0001540300000000, -0.0005149600000000 ] - [ 0.0001892900000000, 0.0007155000000000, -0.0008405200000000 ] - [ -0.0006907100000000, -0.0007127700000000, -0.0000761000000000 ] - [ -0.0007461500000000, 0.0010484200000000, 0.0001181100000000 ] - [ -0.0007254100000000, -0.0004042300000000, -0.0002046700000000 ] - [ -0.0003288200000000, 0.0000617900000000, -0.0004352200000000 ] - [ 0.0008914600000000, -0.0007949200000000, -0.0000462800000000 ] - [ -0.0128942500000000, -0.0032906600000000, 0.0016858500000000 ] - [ 0.0007364900000000, 0.0008409000000000, 0.0001338900000000 ] - [ 0.0001650200000000, -0.0006813000000000, -0.0007794700000000 ] - [ 0.0196627500000000, 0.0018060400000000, 0.0093618000000000 ] - [ -0.0004863500000000, 0.0000581700000000, -0.0005411500000000 ] - [ -0.0001831300000000, 0.0006927200000000, -0.0008453500000000 ] - [ 0.0005018400000000, 0.0002101900000000, -0.0006397900000000 ] - [ -0.0030288700000000, -0.0010012600000000, -0.0016926200000000 ] - [ -0.0001716200000000, -0.0005422800000000, -0.0008584200000000 ] - [ 0.0004781300000000, -0.0000037000000000, -0.0005175200000000 ] - [ 0.0000050200000000, 0.0006058100000000, -0.0006646400000000 ] - [ -0.0007224100000000, -0.0008982400000000, 0.0000588200000000 ] - [ -0.0006732400000000, 0.0018394000000000, 0.0003447800000000 ] - [ -0.0002958900000000, 0.0001799000000000, -0.0004463600000000 ] - [ -0.0008007500000000, -0.0019397800000000, -0.0013303900000000 ] - [ -0.0002663300000000, -0.0006488600000000, 0.0002225500000000 ] - [ -0.0000889700000000, -0.0003850600000000, 0.0008932600000000 ] - [ -0.0004560700000000, -0.0009642800000000, 0.0004052500000000 ] - [ -0.0001568500000000, -0.0000211600000000, 0.0001467200000000 ] - [ 0.0000853700000000, -0.0003845100000000, 0.0008562600000000 ] - [ 0.0003052000000000, 0.0003788200000000, -0.0001689200000000 ] - [ -0.0026103000000000, 0.0048860300000000, 0.0026168100000000 ] - [ -0.0003274500000000, -0.0003146200000000, -0.0006500300000000 ] - [ -0.0007173300000000, 0.0123609300000000, 0.0063783700000000 ] - [ 0.0002781500000000, 0.0000293900000000, 0.0000656800000000 ] - [ 0.0001577700000000, 0.0000004100000000, 0.0001450400000000 ] - [ -0.0462383800000000, 0.0073167600000000, -0.0130566400000000 ] - [ -0.0001400500000000, -0.0002424900000000, -0.0001518400000000 ] - [ -0.0004864500000000, -0.0004828700000000, -0.0001832600000000 ] - [ -0.0000460100000000, -0.0000211400000000, 0.0009878300000000 ] - [ 0.0000911200000000, -0.0005034300000000, -0.0002110700000000 ] - [ -0.0001658200000000, -0.0000086800000000, 0.0001351800000000 ] - [ 0.0007417200000000, 0.0005380000000000, -0.0001524300000000 ] - [ 0.0007720800000000, 0.0008467300000000, 0.0003735700000000 ] - [ 0.0004654200000000, 0.0010582500000000, 0.0003111000000000 ] - [ 0.0019351400000000, 0.0018749700000000, 0.0002045100000000 ] - [ 0.0002950300000000, 0.0001415200000000, 0.0006268000000000 ] - [ 0.0001367200000000, -0.0000480000000000, -0.0001824600000000 ] - [ -0.0000849500000000, 0.0002285100000000, -0.0001242600000000 ] - [ -0.0000991100000000, -0.0003968300000000, -0.0001461200000000 ] - [ -0.0005673900000000, -0.0007076100000000, 0.0002628100000000 ] - [ 0.0001220700000000, 0.0004688000000000, 0.0002867300000000 ] - [ 0.0005677900000000, -0.0007077100000000, 0.0002630900000000 ] - [ 0.0007887700000000, -0.0004853800000000, -0.0003818900000000 ] - [ -0.0008693000000000, -0.0006130700000000, -0.0002591200000000 ] - [ -0.0003552200000000, 0.0002477900000000, -0.0000758300000000 ] - [ 0.0047359100000000, -0.0131472000000000, -0.0072131100000000 ] - [ 0.0001343200000000, 0.0003675100000000, 0.0010010400000000 ] - [ 0.0019308600000000, -0.0041902000000000, -0.0003417400000000 ] - [ -0.0002970200000000, 0.0004731600000000, 0.0003265500000000 ] - [ -0.0000140200000000, -0.0000348900000000, 0.0009590500000000 ] - [ 0.0004574600000000, -0.0009846600000000, 0.0003938100000000 ] - [ 0.0000977200000000, 0.0003778600000000, -0.0001668500000000 ] - [ -0.0008736600000000, 0.0005480200000000, -0.0002552300000000 ] - [ 0.0012175900000000, 0.0009531000000000, 0.0000849200000000 ] - [ 0.0003048600000000, -0.0002702400000000, 0.0006665300000000 ] - [ 0.0001254000000000, -0.0002370200000000, -0.0001336600000000 ] - [ 0.0002046500000000, -0.0004504900000000, -0.0002186400000000 ] - [ -0.0003102900000000, 0.0003829100000000, -0.0001863500000000 ] - [ 0.0001253400000000, -0.0005615400000000, 0.0003038200000000 ] - [ 0.0007291700000000, 0.0003377100000000, -0.0012906300000000 ] - [ -0.0003151000000000, 0.0002432300000000, -0.0006469900000000 ] - [ 0.0016661900000000, 0.0000196400000000, 0.0006317700000000 ] - [ -0.0006720400000000, -0.0001421100000000, -0.0008843600000000 ] - [ -0.0003624000000000, -0.0003203800000000, -0.0000686500000000 ] - [ -0.0001367800000000, 0.0004563300000000, -0.0001144300000000 ] - [ -0.0000218300000000, -0.0000215400000000, -0.0002080100000000 ] - [ -0.0000886500000000, 0.0003368900000000, 0.0008560400000000 ] - [ -0.0002563200000000, 0.0000956800000000, -0.0001163600000000 ] - [ 0.0006335900000000, 0.0000948600000000, 0.0005402800000000 ] - [ 0.0002769100000000, -0.0006289300000000, 0.0002245900000000 ] - [ -0.0002369900000000, -0.0004914800000000, 0.0001975600000000 ] - [ -0.0000387900000000, -0.0001571800000000, 0.0009007700000000 ] - [ 0.0029057500000000, 0.0002431700000000, -0.0007285800000000 ] - [ -0.0001521600000000, 0.0000334300000000, 0.0001069000000000 ] - [ -0.0001281400000000, -0.0003155300000000, 0.0004839500000000 ] - [ 0.0004541100000000, 0.0004228300000000, -0.0001716500000000 ] - [ -0.0004594900000000, 0.0008419900000000, 0.0004498700000000 ] - [ -0.0009223700000000, -0.0000687300000000, -0.0002190300000000 ] - [ 0.0003620700000000, -0.0003143500000000, -0.0000728400000000 ] - [ 0.0001426600000000, -0.0000658200000000, 0.0001204500000000 ] - [ -0.0005080500000000, -0.0002729500000000, 0.0003279700000000 ] - [ -0.0002963600000000, 0.0001523100000000, 0.0006273500000000 ] - [ -0.0002759500000000, -0.0001773400000000, -0.0003173000000000 ] - [ -0.0003096500000000, -0.0004086400000000, -0.0002010800000000 ] - [ 0.0000403700000000, -0.0000034400000000, 0.0009841500000000 ] - [ 0.0001013100000000, -0.0003906500000000, -0.0001618200000000 ] - [ -0.0001483000000000, -0.0000762000000000, 0.0001454000000000 ] - [ 0.0008693000000000, 0.0005422200000000, -0.0002509100000000 ] - [ 0.0005645300000000, 0.0006201700000000, 0.0002568700000000 ] - [ 0.0004569900000000, 0.0008041800000000, 0.0004922400000000 ] - [ 0.0003585900000000, 0.0002634100000000, -0.0000787900000000 ] - [ 0.0003443900000000, 0.0002448000000000, 0.0005180200000000 ] - [ -0.0000004100000000, 0.0000090200000000, -0.0002112900000000 ] - [ -0.0000950300000000, 0.0001677600000000, -0.0000907400000000 ] - [ -0.0000593200000000, -0.0001047100000000, -0.0000998300000000 ] - [ -0.0048620200000000, 0.0013146700000000, -0.0029872700000000 ] - [ 0.0000700200000000, 0.0005506300000000, 0.0001599500000000 ] - [ -0.0003963200000000, -0.0004522600000000, -0.0000110400000000 ] - [ 0.0008739900000000, -0.0006174300000000, -0.0002548000000000 ] - [ 0.0050343100000000, -0.0053429400000000, -0.0082077200000000 ] - [ -0.0003655400000000, 0.0004698500000000, -0.0002864000000000 ] - [ -0.0001249700000000, -0.0005513300000000, 0.0003003400000000 ] - [ 0.0000834400000000, 0.0003471100000000, 0.0009024000000000 ] - [ -0.0001223800000000, 0.0004894500000000, 0.0002833300000000 ] - [ -0.0003050600000000, 0.0005539100000000, 0.0002109900000000 ] - [ 0.0001841500000000, -0.0000845500000000, 0.0009392200000000 ] - [ 0.0004553200000000, -0.0009113300000000, 0.0003530900000000 ] - [ 0.0001443300000000, 0.0001016000000000, 0.0000400700000000 ] - [ 0.0105378800000000, 0.0034416100000000, 0.0093344200000000 ] - [ -0.0005639800000000, 0.0006099300000000, 0.0002446300000000 ] - [ 0.0003015300000000, -0.0000542200000000, 0.0006013500000000 ] - [ -0.0001337400000000, 0.0000092100000000, 0.0001598000000000 ] - [ 0.0003330900000000, -0.0004662600000000, -0.0002112400000000 ] - [ 0.0007270000000000, 0.0002602300000000, -0.0001712000000000 ] - [ 0.0003160600000000, -0.0006589100000000, 0.0003859400000000 ] - [ 0.0003166000000000, 0.0002465100000000, -0.0006481100000000 ] - [ 0.0018465500000000, 0.0006820800000000, -0.0001172300000000 ] - [ -0.0003004300000000, -0.0002453600000000, 0.0006488000000000 ] - [ 0.0003265700000000, -0.0003076900000000, -0.0006349300000000 ] - [ -0.0003982100000000, -0.0002837500000000, -0.0003793600000000 ] - [ -0.0000868500000000, 0.0003518600000000, -0.0001715900000000 ] - [ -0.0002669800000000, -0.0000885400000000, -0.0001968500000000 ] - [ -0.0000935300000000, 0.0002833400000000, 0.0008382300000000 ] - [ 0.0001357500000000, 0.0001608000000000, -0.0001648100000000 ] - [ 0.0002763500000000, 0.0005386600000000, 0.0002747700000000 ]- atom: 77 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003079200000000, -0.0005307500000000, -0.0020503800000000 ] - [ 0.0003818800000000, -0.0007554900000000, 0.0005888800000000 ] - [ -0.0006523000000000, 0.0006028300000000, 0.0000232600000000 ] - [ -0.0003739700000000, -0.0000040300000000, -0.0004954700000000 ] - [ 0.0000309700000000, -0.0000615600000000, -0.0000168800000000 ] - [ -0.0000008500000000, -0.0000968300000000, 0.0002971400000000 ] - [ 0.0000094800000000, -0.0000300500000000, 0.0005908800000000 ] - [ -0.0000016200000000, -0.0000196100000000, 0.0005655200000000 ] - [ -0.0003655900000000, -0.0001074400000000, -0.0004928900000000 ] - [ 0.0011657100000000, 0.0001555600000000, -0.0017343000000000 ] - [ -0.0006432400000000, -0.0007046700000000, 0.0000013900000000 ] - [ 0.0000508000000000, -0.0010040500000000, -0.0004339200000000 ] - [ 0.0000896200000000, 0.0002408100000000, -0.0002725400000000 ] - [ 0.0000115000000000, -0.0000196700000000, 0.0003224200000000 ] - [ -0.0000326500000000, -0.0000626100000000, -0.0000060800000000 ] - [ -0.0037284200000000, 0.0014459900000000, -0.0023333900000000 ] - [ 0.0003684800000000, -0.0000924400000000, -0.0004923300000000 ] - [ 0.0006444000000000, -0.0006718900000000, 0.0000340300000000 ] - [ -0.0002210900000000, 0.0011352500000000, -0.0006506000000000 ] - [ -0.0004547600000000, 0.0001897400000000, -0.0001299200000000 ] - [ -0.0002593800000000, 0.0006915300000000, 0.0017222700000000 ] - [ -0.0000302200000000, -0.0000330500000000, 0.0002423100000000 ] - [ -0.0000024500000000, -0.0000334000000000, 0.0005070500000000 ] - [ -0.0000093700000000, -0.0001003800000000, 0.0005667000000000 ] - [ -0.0002842500000000, 0.0001701300000000, -0.0006975300000000 ] - [ 0.0006534500000000, 0.0006062100000000, 0.0000122600000000 ] - [ -0.0004092600000000, -0.0004805700000000, 0.0002227800000000 ] - [ -0.0000339400000000, -0.0000527800000000, -0.0000145300000000 ] - [ 0.0000438200000000, -0.0000127600000000, 0.0000131600000000 ] - [ 0.0000153400000000, -0.0000213300000000, 0.0004111300000000 ] - [ -0.0006914000000000, -0.0004541500000000, 0.0003502800000000 ] - [ 0.0003719200000000, 0.0000107800000000, -0.0004936600000000 ] - [ -0.0003878200000000, 0.0002031100000000, -0.0006570600000000 ] - [ 0.0007610800000000, -0.0010462000000000, 0.0000029400000000 ] - [ 0.0003225000000000, -0.0000410700000000, -0.0004322700000000 ] - [ 0.0008135800000000, 0.0008343000000000, 0.0000375800000000 ] - [ 0.0001902100000000, -0.0007303500000000, -0.0008268300000000 ] - [ 0.0003001900000000, -0.0001645700000000, -0.0004391500000000 ] - [ -0.0019647000000000, 0.0009442500000000, -0.0016762300000000 ] - [ -0.0160198000000000, 0.0062251600000000, -0.0023523300000000 ] - [ 0.0005031500000000, 0.0001177700000000, -0.0006150400000000 ] - [ -0.0004876000000000, -0.0000801000000000, -0.0005724300000000 ] - [ 0.0031310400000000, -0.0009234200000000, -0.0010493700000000 ] - [ 0.0005003000000000, -0.0001466200000000, -0.0005953300000000 ] - [ 0.0001640700000000, 0.0005069900000000, -0.0008871200000000 ] - [ -0.0008062300000000, -0.0011398200000000, 0.0001611800000000 ] - [ -0.0007499400000000, 0.0008167000000000, -0.0000284900000000 ] - [ 0.0001013200000000, 0.0005143600000000, -0.0006407700000000 ] - [ -0.0002939000000000, -0.0001820500000000, -0.0004226500000000 ] - [ 0.0006028800000000, -0.0010625300000000, 0.0001295500000000 ] - [ 0.0135177400000000, 0.0034157400000000, -0.0025331900000000 ] - [ 0.0007606000000000, 0.0010206400000000, -0.0000483700000000 ] - [ 0.0001871400000000, -0.0005383400000000, -0.0009453900000000 ] - [ -0.0188481000000000, -0.0019187200000000, -0.0098400500000000 ] - [ -0.0004708500000000, -0.0000558900000000, -0.0005702800000000 ] - [ -0.0001699000000000, 0.0005292400000000, -0.0008824900000000 ] - [ 0.0004558500000000, -0.0002040200000000, -0.0004744700000000 ] - [ 0.0020631900000000, 0.0009599500000000, 0.0005772800000000 ] - [ -0.0001807000000000, -0.0006713000000000, -0.0008706900000000 ] - [ 0.0004794600000000, 0.0000021700000000, -0.0005925100000000 ] - [ 0.0003447600000000, 0.0006061200000000, -0.0010660900000000 ] - [ -0.0007737200000000, -0.0009619000000000, 0.0000285300000000 ] - [ -0.0008115700000000, 0.0000755700000000, -0.0002476200000000 ] - [ -0.0003251900000000, -0.0000477500000000, -0.0004120800000000 ] - [ 0.0013586400000000, 0.0007420900000000, 0.0017831100000000 ] - [ -0.0002874600000000, -0.0004924000000000, 0.0003016100000000 ] - [ -0.0000843300000000, -0.0003157400000000, 0.0008636800000000 ] - [ -0.0004595300000000, -0.0008463000000000, 0.0004577200000000 ] - [ -0.0001397100000000, 0.0000740700000000, 0.0001258100000000 ] - [ 0.0000877600000000, -0.0003163600000000, 0.0008992100000000 ] - [ 0.0003185300000000, 0.0004701100000000, -0.0002062000000000 ] - [ 0.0016808000000000, -0.0031435800000000, -0.0017267200000000 ] - [ -0.0003159900000000, -0.0002480400000000, -0.0006450900000000 ] - [ 0.0014572100000000, -0.0127938500000000, -0.0064196700000000 ] - [ 0.0000166300000000, -0.0000880000000000, 0.0002048600000000 ] - [ 0.0001385400000000, 0.0000534600000000, 0.0001270700000000 ] - [ 0.0453734900000000, -0.0066174300000000, 0.0136791900000000 ] - [ -0.0001173600000000, -0.0001733500000000, -0.0001287200000000 ] - [ -0.0001373900000000, -0.0003698000000000, -0.0001909800000000 ] - [ 0.0000450600000000, 0.0000196800000000, 0.0009519200000000 ] - [ 0.0000996500000000, -0.0002027600000000, -0.0000483100000000 ] - [ -0.0001299300000000, -0.0000466500000000, 0.0001361600000000 ] - [ 0.0010016200000000, 0.0006146900000000, -0.0003587100000000 ] - [ 0.0003607700000000, 0.0004825500000000, 0.0001438100000000 ] - [ 0.0004503000000000, 0.0007532600000000, 0.0005514400000000 ] - [ -0.0012190400000000, -0.0013223000000000, -0.0003385900000000 ] - [ 0.0003019500000000, 0.0002582000000000, 0.0006548400000000 ] - [ -0.0001355400000000, 0.0000465500000000, -0.0001941200000000 ] - [ -0.0001717900000000, 0.0001862900000000, -0.0001571900000000 ] - [ -0.0000912000000000, -0.0003076900000000, -0.0001128600000000 ] - [ -0.0005648200000000, -0.0006177500000000, 0.0002539300000000 ] - [ 0.0001279400000000, 0.0005646000000000, 0.0003011500000000 ] - [ 0.0005647300000000, -0.0006176900000000, 0.0002537600000000 ] - [ 0.0009543400000000, -0.0006599900000000, -0.0001280000000000 ] - [ -0.0008731900000000, -0.0005378900000000, -0.0002502300000000 ] - [ -0.0003687400000000, 0.0003193900000000, -0.0000678400000000 ] - [ -0.0050723100000000, 0.0122866700000000, 0.0079650900000000 ] - [ 0.0000392500000000, 0.0003307400000000, 0.0007576700000000 ] - [ -0.0021715800000000, 0.0051779500000000, 0.0009343700000000 ] - [ -0.0002567400000000, 0.0006600700000000, 0.0002017400000000 ] - [ 0.0000141300000000, 0.0000335000000000, 0.0009784700000000 ] - [ 0.0004580500000000, -0.0008266800000000, 0.0004692100000000 ] - [ 0.0000925800000000, 0.0003240900000000, -0.0000924000000000 ] - [ -0.0008690000000000, 0.0006000300000000, -0.0002540100000000 ] - [ -0.0023437200000000, 0.0003526600000000, 0.0004253200000000 ] - [ 0.0002924800000000, -0.0001355300000000, 0.0006169600000000 ] - [ 0.0001322300000000, -0.0001785500000000, -0.0001466000000000 ] - [ 0.0004186800000000, -0.0004035100000000, -0.0001578200000000 ] - [ -0.0003130100000000, 0.0004663100000000, -0.0001895400000000 ] - [ 0.0001249000000000, -0.0004758400000000, 0.0002849500000000 ] - [ -0.0001023700000000, 0.0002134900000000, -0.0000261600000000 ] - [ -0.0003278600000000, 0.0003159700000000, -0.0006474500000000 ] - [ -0.0022597500000000, -0.0004361000000000, 0.0006489700000000 ] - [ 0.0013132400000000, -0.0004162800000000, -0.0004083000000000 ] - [ -0.0003619600000000, -0.0002502300000000, -0.0000749800000000 ] - [ -0.0000533700000000, 0.0002419400000000, -0.0001416600000000 ] - [ 0.0000218300000000, 0.0000203500000000, -0.0001700300000000 ] - [ -0.0000840800000000, 0.0003599700000000, 0.0008986200000000 ] - [ 0.0005106800000000, 0.0003160300000000, -0.0001632600000000 ] - [ -0.0000800800000000, 0.0010326100000000, -0.0000090800000000 ] - [ 0.0002769000000000, -0.0005114000000000, 0.0002991400000000 ] - [ -0.0003155700000000, -0.0006444600000000, 0.0003309200000000 ] - [ -0.0001340100000000, -0.0005441500000000, 0.0008584300000000 ] - [ -0.0037822900000000, -0.0020096900000000, 0.0015862000000000 ] - [ -0.0001428100000000, 0.0000229100000000, 0.0001623300000000 ] - [ 0.0002953400000000, -0.0003887300000000, 0.0012608600000000 ] - [ 0.0001714500000000, 0.0004335900000000, -0.0002055000000000 ] - [ -0.0004563100000000, 0.0009619800000000, 0.0004157800000000 ] - [ 0.0002852000000000, -0.0004725300000000, -0.0010406200000000 ] - [ 0.0003625800000000, -0.0002560100000000, -0.0000706300000000 ] - [ 0.0001532300000000, 0.0000085800000000, 0.0001507300000000 ] - [ 0.0007892900000000, 0.0003340100000000, -0.0000553500000000 ] - [ -0.0003003500000000, 0.0002477900000000, 0.0006542900000000 ] - [ 0.0000171100000000, -0.0002344100000000, 0.0000349900000000 ] - [ -0.0003139300000000, -0.0004445100000000, -0.0001742300000000 ] - [ -0.0000411700000000, 0.0000035800000000, 0.0009546400000000 ] - [ 0.0000890400000000, -0.0003111800000000, -0.0000972100000000 ] - [ -0.0001475000000000, 0.0000187600000000, 0.0001270200000000 ] - [ 0.0008734600000000, 0.0006055900000000, -0.0002581300000000 ] - [ 0.0005677900000000, 0.0007009500000000, 0.0002596800000000 ] - [ 0.0004586900000000, 0.0009990900000000, 0.0003748100000000 ] - [ 0.0003659500000000, 0.0003042600000000, -0.0000648900000000 ] - [ 0.0002534000000000, 0.0001617200000000, 0.0007640700000000 ] - [ 0.0000019700000000, -0.0000087500000000, -0.0001657500000000 ] - [ -0.0001614700000000, 0.0002450000000000, -0.0001889200000000 ] - [ -0.0001297300000000, -0.0005916700000000, -0.0001558000000000 ] - [ 0.0037129800000000, -0.0026072400000000, 0.0035462500000000 ] - [ 0.0001799100000000, 0.0004844300000000, 0.0004251000000000 ] - [ 0.0015298200000000, -0.0008648800000000, 0.0005264400000000 ] - [ 0.0008687400000000, -0.0005341100000000, -0.0002543300000000 ] - [ -0.0066507300000000, 0.0040904500000000, 0.0075953900000000 ] - [ -0.0003571600000000, 0.0000979900000000, 0.0001364100000000 ] - [ -0.0001249400000000, -0.0004858900000000, 0.0002879600000000 ] - [ 0.0000898400000000, 0.0003521400000000, 0.0008545100000000 ] - [ -0.0001273600000000, 0.0005445100000000, 0.0003040800000000 ] - [ -0.0002487900000000, 0.0005816600000000, 0.0003136700000000 ] - [ -0.0001773400000000, 0.0000784100000000, 0.0009978400000000 ] - [ 0.0004606100000000, -0.0008930400000000, 0.0005099100000000 ] - [ 0.0000458500000000, 0.0005936800000000, -0.0002953000000000 ] - [ -0.0124775300000000, -0.0022936500000000, -0.0100358000000000 ] - [ -0.0005684100000000, 0.0007110500000000, 0.0002714200000000 ] - [ 0.0002953000000000, -0.0003431900000000, 0.0006774500000000 ] - [ 0.0004186300000000, -0.0004174600000000, -0.0004335700000000 ] - [ 0.0002905200000000, -0.0003887800000000, -0.0001641500000000 ] - [ -0.0013527900000000, 0.0005926700000000, -0.0002036900000000 ] - [ -0.0000671000000000, -0.0003696700000000, 0.0002068100000000 ] - [ 0.0003270500000000, 0.0003129100000000, -0.0006464900000000 ] - [ -0.0025045300000000, -0.0001102500000000, -0.0012038000000000 ] - [ -0.0002966200000000, -0.0001597700000000, 0.0006340800000000 ] - [ 0.0003172900000000, -0.0002545500000000, -0.0006596300000000 ] - [ -0.0003221000000000, -0.0002793100000000, 0.0002350900000000 ] - [ -0.0001028500000000, 0.0003494400000000, -0.0000876000000000 ] - [ 0.0002613200000000, 0.0000859800000000, -0.0001797000000000 ] - [ -0.0000789600000000, 0.0004144800000000, 0.0009175900000000 ] - [ 0.0001219900000000, 0.0002512900000000, -0.0001167300000000 ] - [ 0.0002773600000000, 0.0005966700000000, 0.0002519600000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008330300000000, 0.0068148100000000, 0.0017755300000000 ] - [ 0.0006164600000000, -0.0000888400000000, 0.0011772700000000 ] - [ -0.0007559600000000, -0.0002159600000000, 0.0001590300000000 ] - [ -0.0004586900000000, -0.0010615800000000, -0.0005001900000000 ] - [ -0.0000317200000000, -0.0011238000000000, -0.0001560100000000 ] - [ 0.0003410700000000, -0.0015476400000000, 0.0001137300000000 ] - [ -0.0003026200000000, -0.0020478800000000, 0.0002134200000000 ] - [ 0.0000561700000000, -0.0003985500000000, 0.0005980500000000 ] - [ -0.0002740100000000, -0.0011823900000000, -0.0004621700000000 ] - [ 0.0017635200000000, 0.0022792000000000, -0.0027066700000000 ] - [ -0.0004583100000000, -0.0018729100000000, -0.0002649600000000 ] - [ 0.0003678200000000, -0.0015355400000000, -0.0017963800000000 ] - [ -0.0001882100000000, 0.0003909400000000, 0.0010108700000000 ] - [ -0.0000292900000000, -0.0004203500000000, 0.0003578100000000 ] - [ 0.0000405300000000, -0.0009389100000000, 0.0000681400000000 ] - [ -0.0017964600000000, 0.0058561800000000, 0.0004545300000000 ] - [ 0.0003306600000000, -0.0009237300000000, -0.0004829900000000 ] - [ 0.0005053300000000, -0.0012932200000000, 0.0002402000000000 ] - [ -0.0014235600000000, 0.0022045200000000, 0.0007683700000000 ] - [ -0.0001119400000000, 0.0014615400000000, -0.0019049800000000 ] - [ -0.0005150500000000, 0.0015030600000000, -0.0031761400000000 ] - [ -0.0006921100000000, -0.0003599900000000, -0.0011090600000000 ] - [ 0.0002009000000000, -0.0001170000000000, -0.0004356900000000 ] - [ -0.0001702300000000, -0.0012904600000000, 0.0014209500000000 ] - [ -0.0003983500000000, 0.0016107900000000, -0.0021514100000000 ] - [ 0.0008030800000000, -0.0002961000000000, -0.0001131900000000 ] - [ -0.0020231700000000, -0.0022495500000000, -0.0040950900000000 ] - [ -0.0001440500000000, -0.0012682200000000, -0.0001620100000000 ] - [ 0.0002294300000000, -0.0006793700000000, 0.0002902600000000 ] - [ 0.0003946500000000, -0.0011142200000000, 0.0014998800000000 ] - [ 0.0000829400000000, 0.0020449800000000, 0.0013682500000000 ] - [ 0.0004255900000000, -0.0008305100000000, -0.0005120900000000 ] - [ -0.0007526500000000, 0.0047186700000000, -0.0005656100000000 ] - [ 0.0008618500000000, -0.0024924600000000, -0.0011450300000000 ] - [ 0.0005421700000000, -0.0020423500000000, -0.0004792400000000 ] - [ 0.0005651900000000, -0.0011432100000000, 0.0020182600000000 ] - [ 0.0003543200000000, -0.0029485700000000, -0.0001258700000000 ] - [ 0.0000891200000000, -0.0021484400000000, -0.0006798300000000 ] - [ 0.0027908400000000, -0.0121362500000000, 0.0079347200000000 ] - [ -0.0012684700000000, 0.0499893400000000, -0.0118273000000000 ] - [ 0.0007260000000000, 0.0008387000000000, -0.0015227900000000 ] - [ -0.0006102300000000, -0.0016239000000000, -0.0009837700000000 ] - [ 0.0003857200000000, -0.0012945200000000, -0.0002166300000000 ] - [ 0.0003213400000000, -0.0022207700000000, -0.0007640000000000 ] - [ 0.0000177100000000, -0.0015492800000000, -0.0012713000000000 ] - [ -0.0007720300000000, -0.0025225400000000, 0.0009406500000000 ] - [ -0.0010273700000000, -0.0014599300000000, -0.0012215800000000 ] - [ -0.0000282200000000, 0.0040860900000000, -0.0018617100000000 ] - [ 0.0000327900000000, -0.0024485100000000, -0.0004026900000000 ] - [ 0.0013597600000000, -0.0028287200000000, 0.0006039900000000 ] - [ 0.0042545100000000, 0.0079243300000000, 0.0008106500000000 ] - [ 0.0005609700000000, 0.0013812100000000, 0.0007304400000000 ] - [ 0.0002176000000000, 0.0004989500000000, -0.0020262000000000 ] - [ -0.0004550200000000, 0.0325673200000000, 0.0080024400000000 ] - [ -0.0003036700000000, -0.0012148500000000, -0.0006520400000000 ] - [ -0.0000516400000000, -0.0011063100000000, -0.0013211500000000 ] - [ 0.0001925000000000, -0.0031550700000000, 0.0006255600000000 ] - [ 0.0005497100000000, 0.0044220900000000, 0.0010796200000000 ] - [ -0.0003080800000000, -0.0019151100000000, -0.0008820400000000 ] - [ 0.0001512200000000, 0.0016469000000000, -0.0012662000000000 ] - [ 0.0004856100000000, 0.0025176800000000, -0.0015711900000000 ] - [ -0.0006829700000000, -0.0009747800000000, 0.0004189900000000 ] - [ -0.0036286600000000, -0.0123677900000000, -0.0022303100000000 ] - [ -0.0006138000000000, -0.0022169200000000, -0.0001652200000000 ] - [ -0.0008736300000000, 0.0186328000000000, 0.0186359200000000 ] - [ -0.0002249800000000, 0.0011565000000000, 0.0006358000000000 ] - [ -0.0000233400000000, 0.0002082000000000, 0.0006598200000000 ] - [ -0.0004903600000000, 0.0003122000000000, 0.0009641200000000 ] - [ 0.0002418700000000, 0.0011949400000000, -0.0000722800000000 ] - [ 0.0000015300000000, 0.0004994200000000, 0.0012698200000000 ] - [ 0.0003461700000000, 0.0012663900000000, -0.0004708800000000 ] - [ 0.0048532700000000, 0.0266775900000000, 0.0102244100000000 ] - [ -0.0002080800000000, 0.0004229900000000, -0.0005958100000000 ] - [ 0.0070079000000000, -0.0001649700000000, 0.0089236800000000 ] - [ 0.0019072400000000, 0.0040423400000000, -0.0000357800000000 ] - [ 0.0000267900000000, 0.0005957000000000, 0.0000327500000000 ] - [ 0.0069451000000000, -0.1207823700000000, -0.0466644800000000 ] - [ -0.0000956700000000, 0.0004297900000000, -0.0001998000000000 ] - [ -0.0003203900000000, -0.0001513100000000, -0.0008670300000000 ] - [ -0.0000994600000000, 0.0004374400000000, 0.0005972600000000 ] - [ -0.0000208700000000, 0.0007555200000000, -0.0002046300000000 ] - [ -0.0001475400000000, -0.0000970600000000, 0.0002252500000000 ] - [ 0.0011050500000000, -0.0009058400000000, 0.0000255800000000 ] - [ 0.0004155900000000, -0.0009515700000000, -0.0001130600000000 ] - [ 0.0005547900000000, -0.0003614000000000, 0.0009228300000000 ] - [ 0.0011317800000000, 0.0011082000000000, -0.0010574800000000 ] - [ 0.0003580500000000, 0.0013748400000000, 0.0009404900000000 ] - [ 0.0001488000000000, 0.0004478500000000, -0.0007329500000000 ] - [ -0.0001848400000000, 0.0000348200000000, 0.0000342600000000 ] - [ -0.0000475300000000, 0.0004321200000000, 0.0002680900000000 ] - [ -0.0005256500000000, 0.0002188400000000, 0.0001441000000000 ] - [ 0.0001685600000000, 0.0013914400000000, 0.0004111800000000 ] - [ 0.0005158600000000, 0.0002717900000000, 0.0001361000000000 ] - [ 0.0007036500000000, -0.0017782200000000, -0.0002397600000000 ] - [ -0.0009102000000000, 0.0000748700000000, -0.0001797800000000 ] - [ -0.0004386800000000, 0.0010639500000000, -0.0001252400000000 ] - [ -0.0088739500000000, -0.0029433400000000, 0.0077258700000000 ] - [ 0.0000583600000000, 0.0005855200000000, 0.0004065100000000 ] - [ -0.0014211700000000, 0.0025634200000000, -0.0003823600000000 ] - [ -0.0003139400000000, 0.0024364500000000, -0.0006885400000000 ] - [ 0.0001253400000000, 0.0005377200000000, 0.0014373900000000 ] - [ 0.0005195200000000, 0.0007070900000000, 0.0011205000000000 ] - [ 0.0001875000000000, 0.0004229000000000, 0.0005066500000000 ] - [ -0.0008255600000000, 0.0011938200000000, -0.0002602200000000 ] - [ -0.0010613100000000, 0.0005188400000000, 0.0007462700000000 ] - [ 0.0002321000000000, 0.0011044800000000, 0.0001604900000000 ] - [ 0.0001457300000000, 0.0003017000000000, -0.0001984700000000 ] - [ 0.0000090500000000, 0.0011517700000000, 0.0007970900000000 ] - [ -0.0003439700000000, 0.0013267800000000, -0.0001522100000000 ] - [ 0.0000656200000000, 0.0003275000000000, 0.0000879700000000 ] - [ 0.0003598300000000, -0.0017977400000000, 0.0002510500000000 ] - [ -0.0004253100000000, 0.0009446400000000, -0.0006386900000000 ] - [ -0.0005280700000000, -0.0014483800000000, -0.0002804000000000 ] - [ 0.0005350500000000, -0.0022054000000000, -0.0017887900000000 ] - [ -0.0002574300000000, 0.0004225500000000, -0.0001520300000000 ] - [ -0.0004434600000000, 0.0031058000000000, -0.0017142300000000 ] - [ -0.0002106500000000, 0.0004760400000000, 0.0001910300000000 ] - [ -0.0002849700000000, 0.0011765300000000, 0.0016588500000000 ] - [ -0.0016608900000000, 0.0021204800000000, -0.0000787400000000 ] - [ 0.0002541200000000, 0.0019150500000000, -0.0005956300000000 ] - [ 0.0002786900000000, 0.0007094100000000, 0.0010410600000000 ] - [ -0.0003030400000000, -0.0017970800000000, -0.0004175100000000 ] - [ 0.0000406500000000, -0.0001827600000000, -0.0002725900000000 ] - [ 0.0003474200000000, -0.0064200700000000, -0.0025897800000000 ] - [ -0.0003874300000000, -0.0006553300000000, 0.0008560000000000 ] - [ 0.0016096400000000, 0.0008649600000000, 0.0049599800000000 ] - [ 0.0002512900000000, -0.0000575900000000, -0.0003141200000000 ] - [ -0.0004152100000000, 0.0020914700000000, 0.0000712000000000 ] - [ -0.0003085600000000, -0.0015919000000000, 0.0035672400000000 ] - [ 0.0003077200000000, 0.0003088100000000, -0.0000067500000000 ] - [ 0.0002790200000000, 0.0006175200000000, 0.0004866800000000 ] - [ 0.0024211200000000, -0.0002182300000000, -0.0014312000000000 ] - [ -0.0003474600000000, 0.0012234700000000, 0.0009622300000000 ] - [ 0.0002162000000000, -0.0011971200000000, 0.0007532700000000 ] - [ -0.0002744700000000, 0.0000096200000000, -0.0001673000000000 ] - [ 0.0000778400000000, -0.0000586600000000, 0.0006765400000000 ] - [ 0.0001115600000000, -0.0005233000000000, 0.0000389200000000 ] - [ -0.0001858800000000, 0.0007879500000000, -0.0000119300000000 ] - [ 0.0008977500000000, 0.0012766600000000, -0.0003234100000000 ] - [ 0.0006103400000000, 0.0014720400000000, 0.0002789000000000 ] - [ 0.0004508800000000, 0.0026279500000000, -0.0005336600000000 ] - [ 0.0003834200000000, 0.0007532700000000, 0.0000070800000000 ] - [ 0.0002582100000000, -0.0010367000000000, 0.0014570100000000 ] - [ -0.0000909700000000, -0.0000478800000000, -0.0002596200000000 ] - [ -0.0004472600000000, 0.0008643500000000, -0.0006039500000000 ] - [ -0.0003619200000000, -0.0008529300000000, -0.0006363400000000 ] - [ 0.0000737100000000, -0.0029382300000000, -0.0084340300000000 ] - [ 0.0002996300000000, 0.0002812000000000, 0.0011109100000000 ] - [ 0.0008191900000000, -0.0039951200000000, 0.0018716500000000 ] - [ 0.0008571700000000, 0.0001272200000000, -0.0002529500000000 ] - [ -0.0117772700000000, -0.0001162200000000, 0.0076522600000000 ] - [ -0.0006557900000000, 0.0001471700000000, 0.0010591900000000 ] - [ -0.0000797700000000, 0.0001525500000000, 0.0002056200000000 ] - [ 0.0000196400000000, 0.0004720700000000, 0.0002634100000000 ] - [ -0.0001348100000000, 0.0011058200000000, 0.0004772400000000 ] - [ -0.0002161700000000, 0.0006087200000000, 0.0009392600000000 ] - [ -0.0025009900000000, 0.0019358900000000, 0.0018883300000000 ] - [ 0.0003444200000000, -0.0025810800000000, 0.0002976400000000 ] - [ 0.0002191400000000, 0.0032662800000000, -0.0016966100000000 ] - [ 0.0022526800000000, -0.0033030900000000, 0.0013598900000000 ] - [ -0.0006086700000000, 0.0016284000000000, 0.0004747600000000 ] - [ 0.0004445600000000, -0.0017226200000000, 0.0015715500000000 ] - [ -0.0030893300000000, -0.0006608800000000, -0.0026666000000000 ] - [ 0.0003608300000000, 0.0010277100000000, 0.0000450500000000 ] - [ -0.0002180300000000, 0.0011187000000000, -0.0001272800000000 ] - [ 0.0003930900000000, -0.0019515800000000, 0.0007284600000000 ] - [ 0.0004295300000000, 0.0009214600000000, -0.0006056900000000 ] - [ -0.0003072400000000, -0.0019008500000000, 0.0009927000000000 ] - [ -0.0002568600000000, 0.0006619500000000, 0.0005032100000000 ] - [ 0.0002149600000000, 0.0003334900000000, -0.0007892800000000 ] - [ -0.0008148900000000, -0.0014465500000000, 0.0005645800000000 ] - [ -0.0002424300000000, 0.0004573300000000, 0.0003278900000000 ] - [ 0.0017041900000000, 0.0010484500000000, -0.0001235500000000 ] - [ -0.0003849600000000, 0.0012450400000000, 0.0014540200000000 ] - [ -0.0000276800000000, 0.0009704200000000, 0.0003476400000000 ] - [ 0.0002927100000000, 0.0012461300000000, -0.0001499600000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015447500000000, -0.0068523100000000, -0.0027276700000000 ] - [ 0.0006740800000000, -0.0012047200000000, -0.0011447600000000 ] - [ -0.0005357100000000, 0.0015059000000000, -0.0001303400000000 ] - [ -0.0002801000000000, 0.0011571700000000, -0.0004854600000000 ] - [ 0.0001079000000000, 0.0010940500000000, 0.0001402700000000 ] - [ -0.0003400000000000, 0.0015410700000000, 0.0004961500000000 ] - [ 0.0003001800000000, 0.0020422200000000, 0.0008926500000000 ] - [ -0.0000560500000000, 0.0003948600000000, 0.0005081000000000 ] - [ -0.0004643400000000, 0.0010750200000000, -0.0005233000000000 ] - [ -0.0004633900000000, -0.0009786800000000, 0.0027035500000000 ] - [ -0.0008318600000000, 0.0005706900000000, 0.0002906800000000 ] - [ -0.0004494300000000, 0.0015398000000000, 0.0017750800000000 ] - [ 0.0002641600000000, -0.0003648300000000, -0.0010236600000000 ] - [ 0.0000296800000000, 0.0004167500000000, 0.0002527400000000 ] - [ -0.0001171400000000, 0.0009089200000000, -0.0000837700000000 ] - [ 0.0025337200000000, -0.0056800600000000, -0.0014116800000000 ] - [ 0.0004081600000000, 0.0008187600000000, -0.0005023600000000 ] - [ 0.0007856100000000, -0.0000016900000000, -0.0002096300000000 ] - [ 0.0001608100000000, -0.0008807700000000, -0.0007489200000000 ] - [ -0.0006219100000000, -0.0013636300000000, 0.0009004800000000 ] - [ 0.0005980500000000, -0.0015281300000000, 0.0031159400000000 ] - [ 0.0006846800000000, 0.0003570300000000, 0.0017037300000000 ] - [ -0.0001988300000000, 0.0001182600000000, 0.0015309700000000 ] - [ 0.0001631000000000, 0.0012894700000000, -0.0003033500000000 ] - [ -0.0003448700000000, -0.0017157700000000, 0.0011468700000000 ] - [ 0.0004890100000000, 0.0015865900000000, 0.0001417600000000 ] - [ 0.0007479800000000, 0.0009528200000000, 0.0041329800000000 ] - [ 0.0000671500000000, 0.0012847800000000, 0.0001448500000000 ] - [ -0.0001511300000000, 0.0007045000000000, -0.0003029400000000 ] - [ -0.0003875200000000, 0.0011128100000000, -0.0008737700000000 ] - [ -0.0001875500000000, -0.0020241200000000, -0.0013888700000000 ] - [ 0.0003136300000000, 0.0009284300000000, -0.0004732500000000 ] - [ 0.0001283200000000, -0.0048078200000000, -0.0003006500000000 ] - [ 0.0006340700000000, 0.0006183500000000, 0.0012289300000000 ] - [ 0.0000809900000000, 0.0021580800000000, -0.0003806000000000 ] - [ 0.0009303200000000, 0.0029917700000000, -0.0019241100000000 ] - [ -0.0000006200000000, 0.0017182600000000, -0.0015971700000000 ] - [ 0.0005320100000000, 0.0020120600000000, -0.0001801500000000 ] - [ -0.0037509700000000, 0.0121350100000000, -0.0090440000000000 ] - [ 0.0005297000000000, -0.0456526500000000, 0.0108326700000000 ] - [ 0.0002314700000000, -0.0008437500000000, 0.0004069100000000 ] - [ -0.0003475900000000, 0.0016167200000000, -0.0001298700000000 ] - [ -0.0007288400000000, 0.0000583500000000, -0.0015040900000000 ] - [ 0.0006374800000000, 0.0022122300000000, -0.0003493500000000 ] - [ 0.0003340000000000, 0.0027566700000000, -0.0004600000000000 ] - [ -0.0007240600000000, 0.0006510600000000, -0.0008515400000000 ] - [ -0.0004680100000000, 0.0033094300000000, 0.0013062800000000 ] - [ -0.0005933800000000, -0.0039347700000000, 0.0009852800000000 ] - [ -0.0006530000000000, 0.0023114300000000, -0.0004540500000000 ] - [ 0.0001369100000000, 0.0009545100000000, -0.0005020600000000 ] - [ -0.0036600800000000, -0.0078252800000000, -0.0016419200000000 ] - [ 0.0009336200000000, 0.0005051400000000, -0.0006461900000000 ] - [ 0.0001361800000000, -0.0017171400000000, 0.0002874900000000 ] - [ 0.0009827800000000, -0.0327710400000000, -0.0096394500000000 ] - [ -0.0006524600000000, 0.0012123800000000, -0.0004637300000000 ] - [ -0.0003005000000000, 0.0023155400000000, -0.0004098600000000 ] - [ 0.0007614600000000, 0.0031330800000000, -0.0017256500000000 ] - [ -0.0014957300000000, -0.0043807400000000, -0.0021269800000000 ] - [ -0.0000452700000000, 0.0006951000000000, -0.0008504100000000 ] - [ 0.0008047000000000, -0.0016351100000000, 0.0001370600000000 ] - [ -0.0001324300000000, -0.0012891900000000, -0.0001852000000000 ] - [ -0.0008132000000000, -0.0008679800000000, -0.0003370100000000 ] - [ 0.0021208800000000, 0.0141780900000000, 0.0023224300000000 ] - [ -0.0000094700000000, 0.0023338600000000, -0.0006896000000000 ] - [ 0.0013958400000000, -0.0195574000000000, -0.0178671300000000 ] - [ -0.0003287000000000, -0.0022858000000000, -0.0001078500000000 ] - [ -0.0001495600000000, -0.0009043900000000, 0.0010964000000000 ] - [ -0.0004257400000000, -0.0021133500000000, -0.0000966100000000 ] - [ -0.0005382500000000, -0.0011395300000000, 0.0003438300000000 ] - [ 0.0001714600000000, -0.0011954000000000, 0.0004878700000000 ] - [ 0.0002776000000000, -0.0004109600000000, 0.0000945500000000 ] - [ -0.0059593500000000, -0.0253072100000000, -0.0096020300000000 ] - [ -0.0004346500000000, -0.0009802200000000, -0.0006980400000000 ] - [ -0.0061069000000000, -0.0003555000000000, -0.0088426400000000 ] - [ -0.0016159500000000, -0.0041002400000000, 0.0003085900000000 ] - [ 0.0002685800000000, -0.0005372000000000, 0.0002383800000000 ] - [ -0.0069922300000000, 0.1182150400000000, 0.0475278000000000 ] - [ -0.0001618000000000, -0.0008405300000000, -0.0000813200000000 ] - [ -0.0003031200000000, -0.0006969000000000, 0.0004903100000000 ] - [ 0.0000999000000000, -0.0004348900000000, 0.0013407100000000 ] - [ 0.0002101000000000, -0.0014523500000000, -0.0000520900000000 ] - [ -0.0001486000000000, 0.0000435300000000, 0.0000483700000000 ] - [ 0.0006396700000000, 0.0020442700000000, -0.0005290500000000 ] - [ 0.0007152900000000, 0.0022652100000000, 0.0006288100000000 ] - [ 0.0003613400000000, 0.0021656900000000, -0.0000567500000000 ] - [ -0.0004077400000000, -0.0005448900000000, 0.0009064900000000 ] - [ 0.0002392500000000, -0.0009667600000000, 0.0003431900000000 ] - [ -0.0001489300000000, -0.0004455100000000, 0.0003548100000000 ] - [ -0.0000730100000000, 0.0003804200000000, -0.0003122100000000 ] - [ -0.0001419600000000, -0.0011292400000000, -0.0005245000000000 ] - [ -0.0006063500000000, -0.0015375900000000, 0.0003718500000000 ] - [ 0.0000817700000000, -0.0003514000000000, 0.0001773700000000 ] - [ 0.0006161800000000, -0.0015909600000000, 0.0003795700000000 ] - [ 0.0010377300000000, 0.0006202700000000, -0.0002668700000000 ] - [ -0.0008326000000000, -0.0012211500000000, -0.0003287600000000 ] - [ -0.0002857400000000, -0.0004904700000000, -0.0000194300000000 ] - [ 0.0084544000000000, 0.0018893000000000, -0.0070304900000000 ] - [ 0.0001145800000000, 0.0001158100000000, 0.0013478900000000 ] - [ 0.0011684900000000, -0.0015065700000000, 0.0009775900000000 ] - [ -0.0002401900000000, -0.0012876500000000, 0.0012064400000000 ] - [ -0.0001260800000000, -0.0005343200000000, 0.0005014200000000 ] - [ 0.0003963900000000, -0.0025077700000000, -0.0002532800000000 ] - [ 0.0000024100000000, 0.0002814400000000, -0.0007654200000000 ] - [ -0.0009169000000000, -0.0000410600000000, -0.0002488300000000 ] - [ -0.0000874300000000, 0.0008297200000000, -0.0002248700000000 ] - [ 0.0003645700000000, -0.0015004700000000, 0.0011189700000000 ] - [ 0.0001116300000000, -0.0007131000000000, -0.0000821800000000 ] - [ 0.0006190000000000, -0.0020041500000000, -0.0011731700000000 ] - [ -0.0002796700000000, -0.0004705000000000, -0.0002236700000000 ] - [ 0.0001840700000000, -0.0013591200000000, 0.0004998400000000 ] - [ 0.0002857300000000, 0.0023387100000000, -0.0015359300000000 ] - [ -0.0002185500000000, -0.0003805800000000, -0.0006550100000000 ] - [ -0.0000700200000000, 0.0010552500000000, 0.0015421700000000 ] - [ 0.0001139300000000, 0.0016331800000000, 0.0004808000000000 ] - [ -0.0004661700000000, -0.0009883400000000, 0.0000083300000000 ] - [ 0.0002526300000000, -0.0023926700000000, 0.0014508600000000 ] - [ 0.0002135000000000, -0.0004740600000000, -0.0005678400000000 ] - [ 0.0001100700000000, -0.0004707700000000, 0.0000979100000000 ] - [ 0.0019260800000000, -0.0017029600000000, -0.0002075100000000 ] - [ 0.0002988000000000, -0.0007670500000000, 0.0011145500000000 ] - [ 0.0002749700000000, -0.0018404300000000, -0.0005124200000000 ] - [ -0.0002477600000000, 0.0006387500000000, 0.0009462000000000 ] - [ -0.0002142600000000, -0.0005282900000000, 0.0020204700000000 ] - [ -0.0012724800000000, 0.0045682200000000, 0.0034204700000000 ] - [ 0.0000891900000000, 0.0007032000000000, -0.0005746800000000 ] - [ -0.0014194600000000, -0.0015564700000000, -0.0031555300000000 ] - [ 0.0003732800000000, 0.0009006500000000, -0.0000591400000000 ] - [ -0.0005004900000000, -0.0002795400000000, 0.0007928700000000 ] - [ -0.0003268000000000, 0.0010625400000000, -0.0048064700000000 ] - [ 0.0004162700000000, -0.0008750600000000, -0.0001365400000000 ] - [ 0.0000182100000000, -0.0006694700000000, -0.0002113600000000 ] - [ -0.0021276200000000, 0.0002591500000000, 0.0016735400000000 ] - [ -0.0002497600000000, -0.0008159000000000, 0.0003220600000000 ] - [ -0.0004716700000000, 0.0007740500000000, -0.0010197900000000 ] - [ -0.0003489300000000, -0.0008638200000000, -0.0002067400000000 ] - [ -0.0000771700000000, 0.0000527800000000, 0.0012615400000000 ] - [ 0.0000791500000000, -0.0001798100000000, -0.0002901700000000 ] - [ -0.0001088500000000, -0.0008399600000000, 0.0002806300000000 ] - [ 0.0008451300000000, -0.0001238200000000, -0.0001864800000000 ] - [ 0.0005221300000000, -0.0001463000000000, 0.0002369000000000 ] - [ 0.0004650600000000, -0.0008117400000000, 0.0013921200000000 ] - [ 0.0003405900000000, -0.0001832700000000, -0.0001493000000000 ] - [ 0.0003391400000000, 0.0014401300000000, -0.0001540800000000 ] - [ 0.0000907600000000, 0.0000435000000000, -0.0001155800000000 ] - [ 0.0001865800000000, -0.0004470200000000, 0.0003170700000000 ] - [ 0.0001700400000000, 0.0001370600000000, 0.0003602800000000 ] - [ -0.0011991800000000, 0.0015326100000000, 0.0089466500000000 ] - [ -0.0000479100000000, 0.0007560100000000, -0.0005134400000000 ] - [ 0.0003141400000000, 0.0026423200000000, -0.0013366000000000 ] - [ 0.0008852400000000, -0.0012743100000000, -0.0002565400000000 ] - [ 0.0100703400000000, -0.0010003300000000, -0.0081882200000000 ] - [ -0.0000704800000000, 0.0004260300000000, -0.0011938700000000 ] - [ -0.0001701600000000, -0.0011849000000000, 0.0003820000000000 ] - [ 0.0001524200000000, 0.0002221600000000, 0.0014871000000000 ] - [ -0.0001149200000000, -0.0000685100000000, 0.0001121600000000 ] - [ -0.0003368100000000, 0.0005360600000000, -0.0004121200000000 ] - [ 0.0024683000000000, -0.0019201100000000, 0.0000583800000000 ] - [ 0.0005710500000000, 0.0007673500000000, 0.0005720300000000 ] - [ -0.0000294700000000, -0.0025427000000000, 0.0014181400000000 ] - [ -0.0038723700000000, 0.0044890800000000, -0.0018029900000000 ] - [ -0.0005240700000000, -0.0002997300000000, 0.0000433500000000 ] - [ 0.0001534000000000, 0.0013122400000000, -0.0002764300000000 ] - [ 0.0033438500000000, 0.0002324200000000, 0.0023441300000000 ] - [ 0.0002637100000000, -0.0018718100000000, -0.0004201100000000 ] - [ -0.0004020800000000, -0.0002523100000000, -0.0002506500000000 ] - [ -0.0001365100000000, 0.0009105600000000, -0.0001142600000000 ] - [ 0.0002144800000000, -0.0003580400000000, -0.0006890300000000 ] - [ -0.0003189700000000, 0.0024639200000000, -0.0022664900000000 ] - [ -0.0003401100000000, -0.0010620500000000, 0.0007797000000000 ] - [ 0.0004280800000000, -0.0008919600000000, -0.0005070100000000 ] - [ 0.0000896300000000, 0.0008752300000000, -0.0006804200000000 ] - [ 0.0000511700000000, 0.0002382600000000, -0.0005773800000000 ] - [ -0.0016869300000000, -0.0010405500000000, -0.0002558200000000 ] - [ 0.0002076300000000, -0.0005377300000000, 0.0003096400000000 ] - [ 0.0002829800000000, -0.0005513600000000, -0.0006228300000000 ] - [ 0.0002613600000000, -0.0001106500000000, 0.0006764300000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0037455600000000, 0.0019479900000000, -0.0010126300000000 ] - [ 0.0006692100000000, 0.0008323200000000, -0.0005902900000000 ] - [ -0.0006539300000000, 0.0004964000000000, 0.0000236300000000 ] - [ -0.0003953900000000, -0.0002905400000000, -0.0004881100000000 ] - [ 0.0000383600000000, -0.0004444200000000, -0.0000179700000000 ] - [ 0.0001752900000000, -0.0006283400000000, 0.0005589500000000 ] - [ -0.0001637500000000, -0.0008281900000000, 0.0005536300000000 ] - [ 0.0000113200000000, -0.0000348900000000, 0.0003331900000000 ] - [ -0.0003295800000000, -0.0004137300000000, -0.0004760000000000 ] - [ 0.0016439000000000, 0.0000905300000000, -0.0035093400000000 ] - [ -0.0005496000000000, -0.0012063400000000, -0.0001830900000000 ] - [ -0.0001218900000000, -0.0022851500000000, -0.0008044100000000 ] - [ -0.0001506700000000, 0.0010080500000000, -0.0006380500000000 ] - [ -0.0000465500000000, -0.0000187900000000, -0.0000036900000000 ] - [ -0.0000045700000000, -0.0001463400000000, -0.0000114900000000 ] - [ 0.0014348300000000, 0.0021551400000000, 0.0029836500000000 ] - [ 0.0003702200000000, -0.0002499500000000, -0.0004989300000000 ] - [ 0.0006706000000000, -0.0005987700000000, 0.0002019200000000 ] - [ 0.0037200700000000, 0.0039633900000000, -0.0003302300000000 ] - [ -0.0003255500000000, -0.0003908500000000, -0.0028733400000000 ] - [ 0.0001323000000000, -0.0014008700000000, -0.0054146300000000 ] - [ -0.0002549400000000, -0.0001723700000000, -0.0009154300000000 ] - [ 0.0000706100000000, -0.0000348200000000, -0.0002960100000000 ] - [ -0.0000165000000000, -0.0002212700000000, 0.0013407600000000 ] - [ -0.0001729400000000, -0.0005648500000000, -0.0031273500000000 ] - [ 0.0007067100000000, 0.0002987400000000, 0.0000033100000000 ] - [ -0.0010577800000000, -0.0024599300000000, -0.0017845100000000 ] - [ -0.0000336800000000, -0.0006321600000000, -0.0001658200000000 ] - [ 0.0000955500000000, 0.0000909100000000, 0.0001891900000000 ] - [ -0.0000995500000000, -0.0001219800000000, 0.0015454900000000 ] - [ -0.0035405800000000, 0.0044191200000000, -0.0002232100000000 ] - [ 0.0003869100000000, -0.0001601500000000, -0.0005052300000000 ] - [ 0.0000149200000000, 0.0005583500000000, -0.0069443100000000 ] - [ 0.0007771900000000, -0.0021552500000000, -0.0005596000000000 ] - [ 0.0003792700000000, -0.0005618800000000, -0.0006174600000000 ] - [ 0.0005046700000000, 0.0009759900000000, 0.0014036000000000 ] - [ 0.0002322200000000, -0.0015256400000000, -0.0003582100000000 ] - [ 0.0002699900000000, -0.0006203300000000, -0.0006468600000000 ] - [ 0.0020925100000000, -0.0058366100000000, 0.0063161000000000 ] - [ 0.0030510300000000, -0.0133671100000000, 0.0125485900000000 ] - [ 0.0008770300000000, 0.0010206400000000, -0.0021967300000000 ] - [ -0.0005378600000000, -0.0005576900000000, -0.0008562400000000 ] - [ -0.0014310900000000, -0.0007875000000000, 0.0034654600000000 ] - [ 0.0003335700000000, -0.0004154700000000, -0.0003633400000000 ] - [ 0.0001353200000000, 0.0000485700000000, -0.0008599200000000 ] - [ -0.0008450600000000, 0.0000652500000000, 0.0001536100000000 ] - [ -0.0009369500000000, -0.0004257400000000, -0.0008974900000000 ] - [ -0.0005766900000000, 0.0012745500000000, -0.0042927000000000 ] - [ -0.0001947600000000, -0.0007473600000000, -0.0002751100000000 ] - [ 0.0006160300000000, -0.0036643500000000, 0.0010202700000000 ] - [ 0.0001942400000000, -0.0001780400000000, 0.0058137500000000 ] - [ 0.0006793100000000, 0.0034007900000000, -0.0003036800000000 ] - [ 0.0002719100000000, -0.0001973400000000, -0.0026914100000000 ] - [ 0.0057023700000000, 0.0204640900000000, 0.0913571500000000 ] - [ -0.0004851200000000, 0.0000575900000000, -0.0010140400000000 ] - [ -0.0001440900000000, 0.0000660400000000, -0.0011207000000000 ] - [ 0.0003079900000000, -0.0013457300000000, 0.0002428200000000 ] - [ 0.0012061700000000, 0.0015659100000000, 0.0060407000000000 ] - [ -0.0002057100000000, -0.0007134700000000, -0.0011624300000000 ] - [ 0.0006946200000000, 0.0002232900000000, -0.0030169500000000 ] - [ -0.0000034600000000, 0.0008394600000000, -0.0043377600000000 ] - [ -0.0008203200000000, 0.0004933700000000, -0.0005333500000000 ] - [ -0.0013876100000000, -0.0048399800000000, -0.0008316500000000 ] - [ -0.0003916000000000, -0.0005321100000000, -0.0001833600000000 ] - [ -0.0006067800000000, 0.0067325900000000, 0.0041661200000000 ] - [ -0.0002324500000000, -0.0001303400000000, 0.0002150100000000 ] - [ -0.0001206600000000, -0.0004261200000000, 0.0009464500000000 ] - [ -0.0004577600000000, -0.0005703400000000, 0.0006423700000000 ] - [ 0.0000416700000000, 0.0004151700000000, -0.0000089700000000 ] - [ 0.0000149900000000, 0.0001111900000000, 0.0009183200000000 ] - [ 0.0003222100000000, 0.0004800100000000, -0.0002888000000000 ] - [ 0.0001346900000000, 0.0106954600000000, -0.0007086600000000 ] - [ -0.0002853700000000, -0.0000455800000000, -0.0005736300000000 ] - [ 0.0089288500000000, 0.0201350500000000, 0.0130232600000000 ] - [ 0.0010204400000000, 0.0018643300000000, -0.0007177800000000 ] - [ 0.0001461400000000, 0.0001397900000000, 0.0001895000000000 ] - [ -0.0133413600000000, -0.0457432800000000, -0.1617336900000000 ] - [ -0.0001951100000000, -0.0000251200000000, -0.0003117700000000 ] - [ -0.0004175200000000, -0.0011150100000000, -0.0007124700000000 ] - [ -0.0002007100000000, -0.0001281100000000, 0.0008686200000000 ] - [ 0.0000443400000000, -0.0005109900000000, -0.0006006100000000 ] - [ -0.0000850800000000, -0.0000893800000000, 0.0005330500000000 ] - [ 0.0013933200000000, 0.0000383300000000, 0.0011696500000000 ] - [ 0.0008196500000000, -0.0000530100000000, 0.0010135100000000 ] - [ 0.0004620900000000, -0.0005965000000000, 0.0025938000000000 ] - [ -0.0011000800000000, -0.0016593200000000, -0.0011740100000000 ] - [ 0.0003141300000000, 0.0004965200000000, 0.0006541100000000 ] - [ 0.0003807800000000, -0.0001152400000000, -0.0005306800000000 ] - [ -0.0002192200000000, 0.0001350600000000, 0.0004606000000000 ] - [ -0.0001093900000000, 0.0000870800000000, 0.0002519700000000 ] - [ -0.0005530400000000, -0.0004398900000000, 0.0002627600000000 ] - [ 0.0001500500000000, 0.0008258600000000, 0.0002687400000000 ] - [ 0.0005503400000000, -0.0003781900000000, 0.0001897400000000 ] - [ 0.0000245600000000, -0.0009345800000000, 0.0008768100000000 ] - [ -0.0008841900000000, -0.0003808100000000, -0.0001938400000000 ] - [ -0.0003933700000000, 0.0005925500000000, -0.0001793300000000 ] - [ -0.0142095700000000, 0.0138462400000000, 0.0068162300000000 ] - [ 0.0000953700000000, 0.0001074100000000, 0.0010820900000000 ] - [ 0.0022765900000000, -0.0053014500000000, -0.0018456800000000 ] - [ -0.0002447900000000, 0.0014301300000000, -0.0002336500000000 ] - [ 0.0000372800000000, 0.0003542000000000, 0.0011812600000000 ] - [ 0.0004907200000000, -0.0004599300000000, 0.0005512300000000 ] - [ 0.0001131600000000, 0.0000166700000000, 0.0005520900000000 ] - [ -0.0008475700000000, 0.0007383700000000, -0.0002197800000000 ] - [ -0.0013790500000000, 0.0024846200000000, 0.0001505500000000 ] - [ 0.0002758100000000, 0.0002722000000000, 0.0003814600000000 ] - [ 0.0000810400000000, -0.0001042500000000, -0.0000261100000000 ] - [ 0.0002032000000000, 0.0006028700000000, 0.0003722000000000 ] - [ -0.0003195200000000, 0.0008523800000000, -0.0001474900000000 ] - [ 0.0001039200000000, -0.0002809600000000, 0.0002005900000000 ] - [ -0.0003415000000000, -0.0007342500000000, 0.0003773900000000 ] - [ -0.0003496400000000, 0.0004687500000000, -0.0006184500000000 ] - [ -0.0003075800000000, 0.0007098800000000, -0.0036781000000000 ] - [ 0.0003893300000000, -0.0010966100000000, 0.0038330200000000 ] - [ -0.0003251900000000, -0.0001029600000000, -0.0001446900000000 ] - [ -0.0002790800000000, 0.0018777900000000, -0.0013226200000000 ] - [ -0.0000257400000000, 0.0002989300000000, 0.0000778100000000 ] - [ -0.0001930000000000, 0.0009301700000000, 0.0010407800000000 ] - [ -0.0007105400000000, 0.0010747600000000, -0.0014172800000000 ] - [ 0.0002545500000000, -0.0008947900000000, 0.0005061500000000 ] - [ 0.0002894800000000, -0.0001186500000000, 0.0006086400000000 ] - [ 0.0000068100000000, -0.0023472600000000, 0.0008640700000000 ] - [ -0.0000849100000000, -0.0016026800000000, 0.0003605600000000 ] - [ -0.0013206300000000, -0.0043420800000000, -0.0036753000000000 ] - [ -0.0002285800000000, -0.0003154300000000, 0.0012223200000000 ] - [ 0.0003256600000000, 0.0005687900000000, 0.0026254200000000 ] - [ 0.0002976700000000, -0.0001329200000000, -0.0002129200000000 ] - [ -0.0004288300000000, 0.0011575800000000, 0.0004933200000000 ] - [ 0.0006455900000000, 0.0030975300000000, 0.0068267600000000 ] - [ 0.0003504900000000, -0.0000991400000000, -0.0000036800000000 ] - [ 0.0002486000000000, 0.0001909700000000, 0.0004226400000000 ] - [ 0.0000633300000000, 0.0003725600000000, -0.0027650500000000 ] - [ -0.0003136100000000, 0.0005183900000000, 0.0007971600000000 ] - [ -0.0001961900000000, -0.0006812700000000, 0.0011942300000000 ] - [ -0.0003226600000000, -0.0008442900000000, -0.0001365700000000 ] - [ -0.0001298400000000, -0.0005116000000000, 0.0009127500000000 ] - [ 0.0001158700000000, -0.0001797100000000, 0.0006643900000000 ] - [ -0.0000614100000000, 0.0001522400000000, -0.0000969000000000 ] - [ 0.0008860800000000, 0.0007684600000000, -0.0003087500000000 ] - [ 0.0005779900000000, 0.0008120000000000, 0.0001953800000000 ] - [ 0.0004764200000000, 0.0014626800000000, -0.0000031600000000 ] - [ 0.0003635100000000, 0.0003276500000000, 0.0000399900000000 ] - [ 0.0004230900000000, 0.0010090200000000, 0.0033103300000000 ] - [ 0.0002518300000000, -0.0003931700000000, 0.0000396000000000 ] - [ -0.0003566100000000, 0.0003715400000000, -0.0006009300000000 ] - [ -0.0001800300000000, -0.0008232300000000, -0.0012820700000000 ] - [ -0.0023365000000000, -0.0125512400000000, 0.0167152100000000 ] - [ 0.0004222300000000, 0.0009651400000000, 0.0014662000000000 ] - [ 0.0004808900000000, -0.0022925400000000, 0.0026608100000000 ] - [ 0.0008699700000000, -0.0003840500000000, -0.0002927900000000 ] - [ -0.0086142000000000, 0.0022628400000000, 0.0038867300000000 ] - [ -0.0007857300000000, 0.0007398400000000, 0.0013424600000000 ] - [ -0.0001130700000000, -0.0003272600000000, 0.0003044800000000 ] - [ -0.0000056100000000, -0.0000375100000000, 0.0003781100000000 ] - [ -0.0001213500000000, 0.0006175800000000, 0.0004034900000000 ] - [ -0.0002437000000000, 0.0010430200000000, 0.0006233500000000 ] - [ -0.0005534900000000, 0.0010110800000000, 0.0013130500000000 ] - [ 0.0004822800000000, -0.0005575300000000, 0.0018919900000000 ] - [ 0.0000865200000000, 0.0020034600000000, -0.0013416600000000 ] - [ 0.0107199300000000, 0.0037442000000000, 0.0037762800000000 ] - [ -0.0005735800000000, 0.0010128400000000, 0.0003909400000000 ] - [ 0.0003380800000000, -0.0011211900000000, 0.0026051800000000 ] - [ -0.0006170600000000, -0.0000670500000000, -0.0036612100000000 ] - [ 0.0003299500000000, 0.0004134900000000, -0.0001196700000000 ] - [ 0.0003690200000000, 0.0026997500000000, -0.0004998900000000 ] - [ 0.0005707200000000, -0.0010423300000000, 0.0034255600000000 ] - [ 0.0003527600000000, 0.0004577300000000, -0.0006688300000000 ] - [ 0.0003236100000000, -0.0000103000000000, 0.0015203000000000 ] - [ -0.0002930600000000, -0.0000662500000000, 0.0007224400000000 ] - [ 0.0002987900000000, -0.0001555100000000, -0.0007502500000000 ] - [ -0.0003829100000000, -0.0004671400000000, 0.0029306100000000 ] - [ -0.0001629800000000, -0.0002689200000000, 0.0005721700000000 ] - [ 0.0008443800000000, 0.0008700300000000, -0.0003882500000000 ] - [ -0.0002822000000000, 0.0011525500000000, 0.0014730800000000 ] - [ -0.0000550700000000, 0.0004462500000000, 0.0003062200000000 ] - [ 0.0002839000000000, 0.0004135700000000, 0.0003798500000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0030547700000000, -0.0021330000000000, 0.0000828400000000 ] - [ 0.0006180600000000, -0.0021305600000000, 0.0006186500000000 ] - [ -0.0006365500000000, 0.0008039200000000, 0.0000044600000000 ] - [ -0.0003430300000000, 0.0004001200000000, -0.0004972900000000 ] - [ 0.0000386800000000, 0.0004274900000000, 0.0000026300000000 ] - [ -0.0001771000000000, 0.0006385000000000, 0.0000508000000000 ] - [ 0.0001643900000000, 0.0008392600000000, 0.0005520700000000 ] - [ -0.0000121700000000, 0.0000390900000000, 0.0007733300000000 ] - [ -0.0004102300000000, 0.0003205400000000, -0.0005096700000000 ] - [ -0.0003651800000000, 0.0011895200000000, 0.0035565800000000 ] - [ -0.0007434100000000, -0.0000772600000000, 0.0002148000000000 ] - [ 0.0000462400000000, 0.0023376900000000, 0.0008022600000000 ] - [ 0.0002301000000000, -0.0009866500000000, 0.0006218500000000 ] - [ 0.0000471800000000, 0.0000228000000000, 0.0006154000000000 ] - [ -0.0000730100000000, 0.0001274200000000, -0.0000040400000000 ] - [ -0.0005069600000000, -0.0021304300000000, -0.0038043500000000 ] - [ 0.0003686400000000, 0.0001542400000000, -0.0004872000000000 ] - [ 0.0006212200000000, -0.0006936100000000, -0.0001771400000000 ] - [ -0.0050942700000000, -0.0027030900000000, 0.0003512900000000 ] - [ -0.0004142400000000, 0.0004910500000000, 0.0019118400000000 ] - [ -0.0000308400000000, 0.0013502400000000, 0.0054009300000000 ] - [ 0.0002643700000000, 0.0001733200000000, 0.0015438000000000 ] - [ -0.0000736400000000, 0.0000331000000000, 0.0014145000000000 ] - [ 0.0000193300000000, 0.0002309100000000, -0.0002491100000000 ] - [ -0.0005688400000000, 0.0004629100000000, 0.0021693200000000 ] - [ 0.0005834600000000, 0.0010028600000000, 0.0000248600000000 ] - [ -0.0002311800000000, 0.0011856200000000, 0.0018311300000000 ] - [ -0.0000420700000000, 0.0006679800000000, 0.0001524600000000 ] - [ -0.0000205500000000, -0.0000638000000000, -0.0002086000000000 ] - [ 0.0000948100000000, 0.0001317800000000, -0.0009544700000000 ] - [ 0.0035157100000000, -0.0044962100000000, 0.0001968500000000 ] - [ 0.0003516700000000, 0.0002673900000000, -0.0004805800000000 ] - [ -0.0006313200000000, -0.0007177500000000, 0.0060952200000000 ] - [ 0.0007190200000000, 0.0003119800000000, 0.0006524900000000 ] - [ 0.0002410700000000, 0.0007035600000000, -0.0002382300000000 ] - [ 0.0009937700000000, 0.0008962400000000, -0.0013280700000000 ] - [ 0.0001190600000000, 0.0003275100000000, -0.0013779500000000 ] - [ 0.0003532500000000, 0.0005086000000000, -0.0002078900000000 ] - [ -0.0030733700000000, 0.0058943600000000, -0.0074861400000000 ] - [ -0.0034909600000000, 0.0147448800000000, -0.0138013100000000 ] - [ 0.0000790000000000, -0.0010209400000000, 0.0010954900000000 ] - [ -0.0004186200000000, 0.0005719500000000, -0.0002517400000000 ] - [ 0.0010817600000000, -0.0004297600000000, -0.0052171800000000 ] - [ 0.0006245200000000, 0.0004309100000000, -0.0007472200000000 ] - [ 0.0002184200000000, 0.0011832300000000, -0.0008665100000000 ] - [ -0.0006516800000000, -0.0019194800000000, -0.0000684900000000 ] - [ -0.0005580900000000, 0.0023045300000000, 0.0009914600000000 ] - [ -0.0000515800000000, -0.0011817400000000, 0.0034747000000000 ] - [ -0.0004300800000000, 0.0006383100000000, -0.0005847200000000 ] - [ 0.0008704400000000, 0.0018086300000000, -0.0009389000000000 ] - [ 0.0004377500000000, 0.0002727200000000, -0.0067434000000000 ] - [ 0.0008193700000000, -0.0015669300000000, 0.0003902500000000 ] - [ 0.0000791000000000, -0.0010217800000000, 0.0009751800000000 ] - [ -0.0057701000000000, -0.0232627400000000, -0.0989237900000000 ] - [ -0.0004732600000000, -0.0000549600000000, -0.0000929000000000 ] - [ -0.0002096700000000, 0.0011640900000000, -0.0006046600000000 ] - [ 0.0006524800000000, 0.0013742900000000, -0.0013680600000000 ] - [ -0.0021725600000000, -0.0016225600000000, -0.0071379600000000 ] - [ -0.0001462000000000, -0.0004977500000000, -0.0005638800000000 ] - [ 0.0002613200000000, -0.0002365700000000, 0.0019237300000000 ] - [ 0.0003555400000000, 0.0003604400000000, 0.0026347800000000 ] - [ -0.0006761500000000, -0.0023695000000000, 0.0006218400000000 ] - [ -0.0000674500000000, 0.0068737800000000, 0.0009513800000000 ] - [ -0.0002284200000000, 0.0006736800000000, -0.0006784600000000 ] - [ 0.0011658600000000, -0.0081225000000000, -0.0039029900000000 ] - [ -0.0003217900000000, -0.0010185700000000, 0.0003078300000000 ] - [ -0.0000528600000000, -0.0002767000000000, 0.0008098800000000 ] - [ -0.0004583900000000, -0.0012459100000000, 0.0002173000000000 ] - [ -0.0003405100000000, -0.0003688000000000, 0.0002826100000000 ] - [ 0.0001584900000000, -0.0008168500000000, 0.0008366600000000 ] - [ 0.0003012300000000, 0.0003659900000000, -0.0000854700000000 ] - [ -0.0011167500000000, -0.0091605700000000, 0.0016463700000000 ] - [ -0.0003587900000000, -0.0005204600000000, -0.0007223100000000 ] - [ -0.0080096000000000, -0.0203395000000000, -0.0129893200000000 ] - [ -0.0007381600000000, -0.0019423800000000, 0.0009908900000000 ] - [ 0.0001504800000000, -0.0000890400000000, 0.0000823600000000 ] - [ 0.0134181500000000, 0.0484752100000000, 0.1697487900000000 ] - [ -0.0000623700000000, -0.0003933400000000, 0.0000319800000000 ] - [ -0.0002062400000000, 0.0002619300000000, 0.0003411300000000 ] - [ 0.0002013400000000, 0.0001257100000000, 0.0010717000000000 ] - [ 0.0001467000000000, -0.0001973100000000, 0.0003431000000000 ] - [ -0.0002099400000000, 0.0000319900000000, -0.0002645800000000 ] - [ 0.0003540800000000, 0.0011196400000000, -0.0016832800000000 ] - [ 0.0003134600000000, 0.0013853900000000, -0.0005003000000000 ] - [ 0.0004537000000000, 0.0024069000000000, -0.0017311600000000 ] - [ 0.0018138200000000, 0.0022271600000000, 0.0010395700000000 ] - [ 0.0002824000000000, -0.0001020000000000, 0.0006262500000000 ] - [ -0.0003827000000000, 0.0001130300000000, 0.0001558600000000 ] - [ -0.0000382600000000, 0.0002783500000000, -0.0007456500000000 ] - [ -0.0000811900000000, -0.0007967200000000, -0.0005137100000000 ] - [ -0.0005795600000000, -0.0008893500000000, 0.0002540200000000 ] - [ 0.0000999100000000, 0.0002026000000000, 0.0003189700000000 ] - [ 0.0005822100000000, -0.0009513700000000, 0.0003278300000000 ] - [ 0.0017113100000000, -0.0002066800000000, -0.0013905600000000 ] - [ -0.0008583200000000, -0.0007733500000000, -0.0003164000000000 ] - [ -0.0003304100000000, -0.0000298400000000, 0.0000361400000000 ] - [ 0.0137831100000000, -0.0146746100000000, -0.0062457600000000 ] - [ 0.0000776300000000, 0.0005906100000000, 0.0006751600000000 ] - [ -0.0025195100000000, 0.0063146000000000, 0.0024369500000000 ] - [ -0.0003086300000000, -0.0003088700000000, 0.0007681200000000 ] - [ -0.0000378400000000, -0.0003590300000000, 0.0007548500000000 ] - [ 0.0004246300000000, -0.0013583000000000, 0.0003092200000000 ] - [ 0.0000761100000000, 0.0006830600000000, -0.0008141400000000 ] - [ -0.0008955700000000, 0.0004071500000000, -0.0002899600000000 ] - [ 0.0002626900000000, -0.0011916500000000, 0.0003597800000000 ] - [ 0.0003217100000000, -0.0006850400000000, 0.0009049900000000 ] - [ 0.0001767700000000, -0.0003134800000000, -0.0002548500000000 ] - [ 0.0004212300000000, -0.0014656400000000, -0.0007526800000000 ] - [ -0.0003039300000000, -0.0000079700000000, -0.0002283700000000 ] - [ 0.0001467600000000, -0.0007601900000000, 0.0003894700000000 ] - [ 0.0009710600000000, 0.0012893200000000, -0.0017148300000000 ] - [ -0.0002930200000000, 0.0000871600000000, -0.0006762600000000 ] - [ -0.0002867400000000, -0.0011112700000000, 0.0050047800000000 ] - [ 0.0002522800000000, 0.0005351500000000, -0.0050843300000000 ] - [ -0.0003998800000000, -0.0004707100000000, 0.0000013500000000 ] - [ 0.0000909800000000, -0.0011969700000000, 0.0010746500000000 ] - [ 0.0000263200000000, -0.0003032100000000, -0.0004572200000000 ] - [ 0.0000201800000000, -0.0002376200000000, 0.0007120400000000 ] - [ 0.0009780300000000, -0.0006737900000000, 0.0011406000000000 ] - [ 0.0002984600000000, 0.0020291700000000, 0.0000223200000000 ] - [ 0.0002639500000000, -0.0010284700000000, -0.0000882800000000 ] - [ -0.0005625200000000, 0.0012360200000000, -0.0003428000000000 ] - [ -0.0000883000000000, 0.0009188800000000, 0.0014099500000000 ] - [ 0.0003830900000000, 0.0025926700000000, 0.0046037500000000 ] - [ -0.0000637600000000, 0.0003794600000000, -0.0009621300000000 ] - [ -0.0001775600000000, -0.0012800000000000, -0.0009233900000000 ] - [ 0.0003338500000000, 0.0009885700000000, -0.0001596000000000 ] - [ -0.0004878600000000, 0.0006423300000000, 0.0003718700000000 ] - [ -0.0012919000000000, -0.0036788900000000, -0.0081587700000000 ] - [ 0.0003743200000000, -0.0004740200000000, -0.0001401800000000 ] - [ 0.0000462900000000, -0.0002503500000000, -0.0001550500000000 ] - [ 0.0001999900000000, -0.0003023700000000, 0.0030577300000000 ] - [ -0.0002831200000000, -0.0001228800000000, 0.0004823000000000 ] - [ -0.0000677300000000, 0.0002807800000000, -0.0014885600000000 ] - [ -0.0003012400000000, -0.0000048800000000, -0.0002391500000000 ] - [ 0.0001305000000000, 0.0005177400000000, 0.0010274600000000 ] - [ 0.0000742000000000, -0.0005201100000000, -0.0009270500000000 ] - [ -0.0002353700000000, -0.0002128900000000, 0.0003720900000000 ] - [ 0.0008562300000000, 0.0003763500000000, -0.0001996800000000 ] - [ 0.0005539300000000, 0.0005062000000000, 0.0003217600000000 ] - [ 0.0004392500000000, 0.0003310500000000, 0.0008768200000000 ] - [ 0.0003610300000000, 0.0002389700000000, -0.0001847400000000 ] - [ 0.0001732500000000, -0.0006032800000000, -0.0020440700000000 ] - [ -0.0002527200000000, 0.0003978600000000, -0.0004176000000000 ] - [ 0.0001030300000000, 0.0000381800000000, 0.0003268500000000 ] - [ -0.0000054900000000, 0.0001309500000000, 0.0010308300000000 ] - [ 0.0012997700000000, 0.0116488700000000, -0.0166856300000000 ] - [ -0.0001744800000000, 0.0000650100000000, -0.0008872200000000 ] - [ 0.0006427900000000, 0.0009924600000000, -0.0021560600000000 ] - [ 0.0008727000000000, -0.0007708100000000, -0.0002159700000000 ] - [ 0.0071287500000000, -0.0035047600000000, -0.0044793500000000 ] - [ 0.0000666700000000, -0.0001769400000000, -0.0014994600000000 ] - [ -0.0001376800000000, -0.0007129900000000, 0.0002843300000000 ] - [ 0.0001795900000000, 0.0007404000000000, 0.0013857000000000 ] - [ -0.0001291600000000, 0.0004146000000000, 0.0001828400000000 ] - [ -0.0003101100000000, 0.0000870400000000, -0.0000991100000000 ] - [ 0.0005917600000000, -0.0010336500000000, 0.0006138100000000 ] - [ 0.0004350200000000, -0.0012424100000000, -0.0010358500000000 ] - [ 0.0001024100000000, -0.0013343700000000, 0.0011025300000000 ] - [ -0.0127800200000000, -0.0026199000000000, -0.0043598800000000 ] - [ -0.0005585200000000, 0.0003030300000000, 0.0001232400000000 ] - [ 0.0002580600000000, 0.0007282500000000, -0.0013355600000000 ] - [ 0.0009209900000000, -0.0003375300000000, 0.0034121900000000 ] - [ 0.0002931900000000, -0.0012781800000000, -0.0002576500000000 ] - [ -0.0009838600000000, -0.0018399000000000, 0.0001225900000000 ] - [ -0.0003240300000000, 0.0000186100000000, -0.0028672100000000 ] - [ 0.0002899300000000, 0.0000986300000000, -0.0006251600000000 ] - [ -0.0009729500000000, 0.0005826100000000, -0.0028481300000000 ] - [ -0.0003043500000000, -0.0003416700000000, 0.0005595900000000 ] - [ 0.0003452500000000, -0.0004088500000000, -0.0005423000000000 ] - [ -0.0003416000000000, -0.0000932400000000, -0.0031029300000000 ] - [ -0.0000257300000000, 0.0009772100000000, -0.0008398300000000 ] - [ -0.0008683000000000, -0.0008797700000000, 0.0000105400000000 ] - [ 0.0001121600000000, -0.0004591100000000, 0.0002770800000000 ] - [ 0.0003147400000000, -0.0000387400000000, -0.0005932400000000 ] - [ 0.0002693600000000, 0.0007233000000000, 0.0001470900000000 ]- atom: 78 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003123800000000, -0.0001797800000000, -0.0005252200000000 ] - [ 0.0008394100000000, -0.0007689700000000, -0.0002707600000000 ] - [ 0.0003795700000000, 0.0013453800000000, -0.0004245800000000 ] - [ -0.0010234400000000, 0.0000568200000000, -0.0010342100000000 ] - [ 0.0009654500000000, 0.0023446000000000, 0.0073362700000000 ] - [ 0.0032801500000000, -0.0011827600000000, 0.0038618000000000 ] - [ -0.0019733800000000, -0.0046171700000000, 0.0018358600000000 ] - [ 0.0000792200000000, -0.0000071100000000, 0.0000818900000000 ] - [ 0.0001922300000000, -0.0001978600000000, -0.0005534800000000 ] - [ 0.0006453600000000, 0.0006218400000000, -0.0000147800000000 ] - [ -0.0006958900000000, -0.0007283500000000, -0.0000287900000000 ] - [ 0.0001784200000000, 0.0003411500000000, 0.0002647400000000 ] - [ -0.0002166200000000, -0.0002119200000000, -0.0003217300000000 ] - [ -0.0001978400000000, 0.0000457100000000, -0.0001748300000000 ] - [ -0.0005348500000000, 0.0008079100000000, 0.0001191400000000 ] - [ 0.0003888200000000, -0.0001044400000000, -0.0005461400000000 ] - [ 0.0000251200000000, -0.0002225100000000, -0.0003636300000000 ] - [ 0.0007430400000000, -0.0007492200000000, -0.0000316900000000 ] - [ -0.0006381400000000, 0.0006516400000000, 0.0000381100000000 ] - [ -0.0003784200000000, 0.0001469700000000, -0.0004822400000000 ] - [ 0.0000383900000000, -0.0000324300000000, -0.0000341400000000 ] - [ 0.0000116000000000, -0.0000111800000000, 0.0002827900000000 ] - [ -0.0000062700000000, -0.0000146100000000, 0.0005365800000000 ] - [ 0.0000091000000000, -0.0000210500000000, 0.0005591700000000 ] - [ -0.0003735200000000, 0.0000587700000000, -0.0004928900000000 ] - [ -0.0018021200000000, 0.0009944300000000, 0.0039090300000000 ] - [ -0.0009544500000000, -0.0002925900000000, 0.0004361700000000 ] - [ -0.0000195000000000, -0.0000308400000000, -0.0000773300000000 ] - [ 0.0000708100000000, 0.0001557900000000, 0.0000628700000000 ] - [ -0.0000123400000000, -0.0000005100000000, 0.0003219000000000 ] - [ -0.0000468300000000, -0.0000103300000000, 0.0000166700000000 ] - [ 0.0007312000000000, 0.0001259800000000, -0.0005038100000000 ] - [ -0.0003398000000000, -0.0000385100000000, -0.0006365200000000 ] - [ 0.0003632000000000, -0.0012464600000000, 0.0001011400000000 ] - [ 0.0002771300000000, -0.0000277400000000, -0.0003503300000000 ] - [ -0.0002794300000000, 0.0023708600000000, 0.0011845600000000 ] - [ -0.0000360300000000, 0.0002125400000000, -0.0013013700000000 ] - [ 0.0003042800000000, -0.0002116500000000, -0.0004074600000000 ] - [ -0.0011147600000000, 0.0003644400000000, -0.0013015600000000 ] - [ -0.0001737500000000, 0.0005519000000000, -0.0008414200000000 ] - [ 0.0005203800000000, 0.0003530300000000, -0.0010318200000000 ] - [ -0.0006663500000000, -0.0003186900000000, -0.0007805500000000 ] - [ -0.0002831000000000, -0.0019266800000000, 0.0001137900000000 ] - [ 0.1020918000000000, -0.0280160400000000, 0.0720450300000000 ] - [ -0.0064832600000000, -0.0061183100000000, 0.0097747700000000 ] - [ -0.0016927200000000, -0.0031983000000000, -0.0054044300000000 ] - [ -0.0017031800000000, 0.0031366800000000, -0.0055953200000000 ] - [ -0.0003167300000000, -0.0000165100000000, -0.0007108400000000 ] - [ -0.0010610200000000, -0.0029350800000000, -0.0011442900000000 ] - [ 0.0007739800000000, -0.0008480700000000, 0.0000210500000000 ] - [ 0.0003201100000000, 0.0000411900000000, -0.0000850100000000 ] - [ 0.0007508000000000, 0.0009043900000000, 0.0000608500000000 ] - [ 0.0001700100000000, -0.0002689800000000, -0.0011908500000000 ] - [ 0.0003515700000000, 0.0000399000000000, -0.0001735700000000 ] - [ -0.0004400100000000, -0.0001093200000000, -0.0005086000000000 ] - [ 0.0006134300000000, -0.0007144600000000, -0.0013101500000000 ] - [ 0.0003665500000000, -0.0002843500000000, -0.0004424100000000 ] - [ -0.0004766000000000, -0.0000382200000000, -0.0005407400000000 ] - [ -0.0002051200000000, -0.0006369300000000, -0.0008042300000000 ] - [ 0.0004783700000000, -0.0000010800000000, -0.0005750000000000 ] - [ 0.0001748300000000, 0.0006256800000000, -0.0008907600000000 ] - [ -0.0007473400000000, -0.0009352900000000, 0.0000431300000000 ] - [ -0.0007549900000000, 0.0008761100000000, 0.0000639300000000 ] - [ 0.0049798700000000, 0.0082164800000000, 0.0037240000000000 ] - [ 0.0002753000000000, -0.0005312000000000, 0.0002758200000000 ] - [ -0.0003271100000000, -0.0026211600000000, -0.0023166100000000 ] - [ 0.0000563200000000, -0.0006909400000000, 0.0008124200000000 ] - [ -0.0004424100000000, -0.0009574500000000, 0.0004939800000000 ] - [ 0.0171908200000000, 0.0034320400000000, -0.0013893400000000 ] - [ 0.0069562000000000, -0.0078412300000000, 0.0090083100000000 ] - [ 0.0004300300000000, 0.0006567300000000, 0.0022788500000000 ] - [ -0.0004036600000000, 0.0008654900000000, 0.0004201900000000 ] - [ -0.0003239900000000, -0.0001609700000000, -0.0008046800000000 ] - [ 0.0003554800000000, -0.0002599900000000, -0.0000687500000000 ] - [ 0.0007468000000000, 0.0005823500000000, 0.0001858700000000 ] - [ 0.0000826400000000, -0.0000106300000000, 0.0004187100000000 ] - [ -0.0003124200000000, 0.0002378000000000, 0.0005790700000000 ] - [ -0.1354452400000000, 0.0297893400000000, -0.0907885000000000 ] - [ -0.0001851000000000, -0.0004474800000000, -0.0004065600000000 ] - [ -0.0015629600000000, 0.0000561100000000, 0.0015508900000000 ] - [ 0.0005911200000000, 0.0078694300000000, 0.0097276600000000 ] - [ -0.0002254800000000, -0.0000320300000000, 0.0003154800000000 ] - [ 0.0008505700000000, 0.0005835300000000, -0.0002018100000000 ] - [ 0.0005826000000000, 0.0008207100000000, 0.0004046400000000 ] - [ 0.0004449100000000, 0.0007329100000000, 0.0006415100000000 ] - [ 0.0006166300000000, 0.0005699600000000, -0.0000738700000000 ] - [ 0.0000350900000000, 0.0034076700000000, 0.0014043700000000 ] - [ 0.0020588000000000, 0.0002022900000000, 0.0006667500000000 ] - [ 0.0000057700000000, 0.0001859400000000, 0.0000871500000000 ] - [ -0.0000430100000000, -0.0000255400000000, 0.0003879800000000 ] - [ -0.0006951800000000, -0.0005376200000000, 0.0001616800000000 ] - [ 0.0003336100000000, 0.0004789000000000, 0.0004369800000000 ] - [ 0.0054491800000000, 0.0030117600000000, -0.0000321900000000 ] - [ 0.0008902700000000, -0.0005696400000000, -0.0001927300000000 ] - [ -0.0010352100000000, -0.0005067300000000, -0.0002731300000000 ] - [ -0.0005546600000000, 0.0001674700000000, 0.0001632600000000 ] - [ -0.0001123700000000, -0.0004884000000000, 0.0002900300000000 ] - [ 0.0001994400000000, 0.0008225900000000, 0.0015228000000000 ] - [ -0.0003762900000000, 0.0008793000000000, 0.0002531400000000 ] - [ -0.0002648400000000, 0.0004094900000000, 0.0004292800000000 ] - [ 0.0015497500000000, -0.0002700400000000, 0.0010484900000000 ] - [ 0.0049619600000000, -0.0139789000000000, -0.0049567700000000 ] - [ 0.0000776300000000, 0.0001281500000000, 0.0001809500000000 ] - [ -0.0007651200000000, 0.0006942400000000, -0.0003260600000000 ] - [ -0.0005701400000000, 0.0006220600000000, 0.0001306000000000 ] - [ -0.0000858900000000, -0.0020025800000000, 0.0014927800000000 ] - [ 0.0001638000000000, -0.0001922500000000, 0.0001906700000000 ] - [ 0.0003963500000000, -0.0022119500000000, 0.0001527400000000 ] - [ -0.0036215000000000, 0.0002248400000000, -0.0016995600000000 ] - [ -0.0012807100000000, 0.0008965800000000, -0.0020250800000000 ] - [ 0.0003317200000000, 0.0003205100000000, -0.0005722900000000 ] - [ -0.0000681700000000, 0.0000870100000000, -0.0006810900000000 ] - [ -0.0002679000000000, 0.0001119000000000, 0.0004153000000000 ] - [ 0.0003188800000000, -0.0002367100000000, -0.0004974300000000 ] - [ 0.0083519300000000, 0.0020347900000000, -0.0065710300000000 ] - [ 0.0012540800000000, -0.0006179300000000, -0.0017501900000000 ] - [ -0.0011982000000000, -0.0001079600000000, 0.0002730100000000 ] - [ -0.0005330800000000, -0.0000602600000000, 0.0001237800000000 ] - [ -0.0002813700000000, 0.0013905500000000, -0.0004352300000000 ] - [ 0.0004001700000000, 0.0028968700000000, 0.0003796000000000 ] - [ 0.0004255600000000, 0.0008529000000000, 0.0019952300000000 ] - [ -0.0002779800000000, -0.0005751100000000, 0.0002552600000000 ] - [ -0.0000845800000000, -0.0003364400000000, 0.0008604600000000 ] - [ -0.0004666400000000, -0.0008546500000000, 0.0003852100000000 ] - [ -0.0001504600000000, 0.0000294400000000, 0.0001485000000000 ] - [ 0.0000913900000000, -0.0003377500000000, 0.0008908300000000 ] - [ 0.0003131000000000, 0.0004299700000000, -0.0001893800000000 ] - [ -0.0004460600000000, 0.0010513700000000, 0.0003720700000000 ] - [ -0.0003555000000000, -0.0004070300000000, -0.0007268900000000 ] - [ -0.0000655700000000, -0.0016164200000000, -0.0034769000000000 ] - [ 0.0001703300000000, 0.0000006100000000, 0.0001413700000000 ] - [ 0.0001429100000000, 0.0000529500000000, 0.0001222200000000 ] - [ -0.0004469500000000, 0.0005515400000000, 0.0005853400000000 ] - [ -0.0001247500000000, -0.0002101800000000, -0.0001232600000000 ] - [ -0.0002815000000000, -0.0003853500000000, -0.0001821400000000 ] - [ -0.0000056900000000, 0.0000050400000000, 0.0009731200000000 ] - [ 0.0000957600000000, -0.0003422600000000, -0.0001253900000000 ] - [ -0.0002137800000000, 0.0000388300000000, 0.0001314200000000 ] - [ -0.0014252900000000, 0.0027054100000000, -0.0005959300000000 ] - [ 0.0003056400000000, 0.0006063800000000, 0.0002430500000000 ] - [ 0.0006012300000000, 0.0015308100000000, 0.0005674900000000 ] - [ 0.0003751000000000, 0.0002349100000000, -0.0001142200000000 ] - [ 0.0002976600000000, 0.0001873800000000, 0.0006936500000000 ] - [ 0.0000208100000000, 0.0000052000000000, -0.0001931500000000 ] - [ -0.0000221100000000, 0.0002044000000000, -0.0001201000000000 ] - [ -0.0000941500000000, -0.0003590300000000, -0.0001480300000000 ] - [ -0.0005669800000000, -0.0006853900000000, 0.0002193600000000 ] - [ 0.0001474100000000, 0.0003919700000000, 0.0003802800000000 ] - [ 0.0005688000000000, -0.0006439200000000, 0.0002839600000000 ] - [ 0.0031592000000000, -0.0016170200000000, -0.0010162600000000 ] - [ -0.0009063900000000, -0.0005836100000000, -0.0003311900000000 ] - [ -0.0003814200000000, 0.0001350800000000, 0.0000657200000000 ] - [ -0.0000666500000000, -0.0001243400000000, 0.0006773800000000 ] - [ 0.0000915800000000, 0.0003570600000000, 0.0008691000000000 ] - [ -0.0001662000000000, 0.0004102900000000, 0.0002596000000000 ] - [ -0.0001959800000000, 0.0001674400000000, 0.0005138400000000 ] - [ 0.0000292100000000, -0.0000046600000000, 0.0009872500000000 ] - [ 0.0004519600000000, -0.0009046900000000, 0.0004831200000000 ] - [ 0.0001108600000000, 0.0004256100000000, -0.0001526000000000 ] - [ -0.0008228200000000, 0.0005635500000000, -0.0003153100000000 ] - [ -0.0005387000000000, 0.0006862800000000, 0.0002837600000000 ] - [ 0.0003080500000000, -0.0003624300000000, 0.0008316400000000 ] - [ 0.0001339400000000, -0.0001935500000000, -0.0001620800000000 ] - [ 0.0002895700000000, -0.0004066600000000, -0.0001858200000000 ] - [ -0.0003132400000000, 0.0004373000000000, -0.0001858000000000 ] - [ 0.0001281400000000, -0.0005413900000000, 0.0003024700000000 ] - [ -0.0001119500000000, -0.0000117800000000, -0.0023078600000000 ] - [ -0.0003199700000000, 0.0002600800000000, -0.0007038500000000 ] - [ -0.0002578200000000, -0.0001491000000000, 0.0005559900000000 ] - [ 0.0003002100000000, 0.0001601400000000, -0.0004950300000000 ] - [ -0.0003586000000000, -0.0002992600000000, -0.0000694100000000 ] - [ -0.0001011800000000, 0.0003823200000000, -0.0001357500000000 ] - [ -0.0000243800000000, 0.0000030700000000, -0.0001943500000000 ] - [ -0.0001068400000000, 0.0003494900000000, 0.0009283800000000 ] - [ 0.0001045400000000, 0.0002328300000000, -0.0001421300000000 ] - [ 0.0002824600000000, 0.0005767600000000, 0.0002561900000000 ]- atom: 78 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004259800000000, 0.0000807600000000, -0.0004591400000000 ] - [ 0.0004519400000000, -0.0005235700000000, 0.0002940400000000 ] - [ -0.0016696200000000, -0.0000576800000000, 0.0004555500000000 ] - [ 0.0002854800000000, 0.0000642400000000, 0.0000493400000000 ] - [ -0.0009231800000000, -0.0023737700000000, -0.0074453600000000 ] - [ -0.0032746300000000, 0.0011751700000000, -0.0032709000000000 ] - [ 0.0019868000000000, 0.0045645000000000, -0.0007174400000000 ] - [ -0.0000804600000000, 0.0000067000000000, 0.0010214500000000 ] - [ -0.0009278100000000, 0.0000833700000000, -0.0004269300000000 ] - [ 0.0006457600000000, 0.0006716400000000, 0.0000390600000000 ] - [ -0.0005960800000000, -0.0005625400000000, 0.0000522400000000 ] - [ -0.0002653200000000, -0.0003031700000000, -0.0002766800000000 ] - [ 0.0002955200000000, 0.0002386000000000, 0.0003050500000000 ] - [ 0.0002008600000000, -0.0000469200000000, 0.0007818700000000 ] - [ 0.0004499100000000, -0.0008502700000000, -0.0001577700000000 ] - [ 0.0003490100000000, 0.0002041800000000, -0.0004383200000000 ] - [ 0.0007120900000000, 0.0001204300000000, -0.0006195000000000 ] - [ 0.0005474300000000, -0.0005433700000000, 0.0000576000000000 ] - [ -0.0006524600000000, 0.0006415800000000, -0.0000129600000000 ] - [ -0.0003593600000000, -0.0000462100000000, -0.0005011900000000 ] - [ 0.0000409400000000, 0.0000075900000000, 0.0000193200000000 ] - [ -0.0000112700000000, 0.0000121100000000, 0.0003272900000000 ] - [ 0.0000062700000000, 0.0000154400000000, 0.0005698300000000 ] - [ -0.0000093000000000, 0.0000226000000000, 0.0005482200000000 ] - [ -0.0003647000000000, -0.0001562700000000, -0.0004907900000000 ] - [ 0.0031021800000000, 0.0002865500000000, -0.0038533000000000 ] - [ -0.0003335200000000, -0.0009979500000000, -0.0004088000000000 ] - [ -0.0000589300000000, 0.0000583000000000, 0.0000614600000000 ] - [ 0.0000094500000000, -0.0001278400000000, -0.0000755900000000 ] - [ 0.0000129200000000, 0.0000018900000000, 0.0002892300000000 ] - [ -0.0000323400000000, -0.0000146000000000, -0.0000307300000000 ] - [ 0.0000105700000000, -0.0000334200000000, -0.0004802200000000 ] - [ -0.0002819400000000, -0.0000862700000000, -0.0002244100000000 ] - [ 0.0011389200000000, -0.0006029600000000, -0.0000527400000000 ] - [ 0.0003457100000000, 0.0001538700000000, -0.0005181400000000 ] - [ 0.0017746400000000, -0.0005241200000000, -0.0010852800000000 ] - [ 0.0003918800000000, -0.0014241800000000, -0.0004257100000000 ] - [ 0.0003174600000000, 0.0000835600000000, -0.0004598700000000 ] - [ 0.0001549100000000, -0.0003605400000000, 0.0001767800000000 ] - [ -0.0001807400000000, 0.0006674100000000, -0.0008842800000000 ] - [ 0.0004359900000000, -0.0003525100000000, -0.0000825100000000 ] - [ -0.0002887100000000, 0.0003104300000000, -0.0003438800000000 ] - [ -0.0000699900000000, 0.0007066800000000, -0.0018376000000000 ] - [ -0.0961727100000000, 0.0262554500000000, -0.0686597600000000 ] - [ 0.0066831700000000, 0.0074143600000000, -0.0116304600000000 ] - [ 0.0001849700000000, 0.0013658200000000, 0.0054816500000000 ] - [ 0.0002007200000000, -0.0012588500000000, 0.0056583600000000 ] - [ -0.0003044000000000, 0.0001461900000000, -0.0001518900000000 ] - [ 0.0004065000000000, 0.0027939300000000, 0.0002967500000000 ] - [ 0.0007213400000000, -0.0010073700000000, 0.0000664900000000 ] - [ 0.0003008400000000, 0.0000890800000000, -0.0007725200000000 ] - [ 0.0007438200000000, 0.0009573300000000, 0.0000279800000000 ] - [ 0.0001835700000000, -0.0009382300000000, -0.0005399300000000 ] - [ 0.0002707500000000, -0.0001656600000000, -0.0006838600000000 ] - [ -0.0005152500000000, 0.0001070200000000, -0.0006048300000000 ] - [ -0.0009761300000000, 0.0019307600000000, -0.0004248500000000 ] - [ 0.0005887600000000, 0.0002842400000000, -0.0006709600000000 ] - [ -0.0004789900000000, 0.0000433200000000, -0.0005719300000000 ] - [ -0.0001492400000000, -0.0005805000000000, -0.0009233100000000 ] - [ 0.0004774800000000, 0.0000061500000000, -0.0005376400000000 ] - [ 0.0001799900000000, 0.0005939200000000, -0.0008352700000000 ] - [ -0.0007471200000000, -0.0009222200000000, 0.0000455200000000 ] - [ -0.0007396900000000, 0.0009857400000000, 0.0000236400000000 ] - [ -0.0055444700000000, -0.0080759200000000, -0.0045611600000000 ] - [ 0.0002797300000000, -0.0006129300000000, 0.0002475000000000 ] - [ -0.0002102900000000, 0.0014961900000000, 0.0028472700000000 ] - [ -0.0002356100000000, -0.0000027500000000, 0.0009449900000000 ] - [ -0.0004730500000000, -0.0008390600000000, 0.0003762800000000 ] - [ -0.0172440500000000, -0.0033095100000000, 0.0017140000000000 ] - [ -0.0067820900000000, 0.0072150400000000, -0.0072798200000000 ] - [ 0.0001859800000000, 0.0001988300000000, -0.0026658400000000 ] - [ -0.0005108400000000, 0.0009375600000000, 0.0004448000000000 ] - [ -0.0003114800000000, -0.0003955800000000, -0.0004862000000000 ] - [ 0.0003640400000000, -0.0003118800000000, -0.0000745400000000 ] - [ -0.0004394200000000, -0.0006325100000000, 0.0000912900000000 ] - [ 0.0002234400000000, 0.0000713700000000, -0.0001423200000000 ] - [ -0.0002846800000000, 0.0001667400000000, 0.0007070500000000 ] - [ 0.1301958200000000, -0.0285231200000000, 0.0860180900000000 ] - [ -0.0004397300000000, -0.0004044400000000, 0.0000311400000000 ] - [ 0.0015627300000000, -0.0000533700000000, 0.0004051100000000 ] - [ -0.0004541100000000, -0.0084776200000000, -0.0099264200000000 ] - [ -0.0000789500000000, -0.0000276200000000, -0.0000393800000000 ] - [ 0.0008924700000000, 0.0005761300000000, -0.0003084100000000 ] - [ 0.0005501000000000, 0.0005019800000000, 0.0001098600000000 ] - [ 0.0004708300000000, 0.0010677800000000, 0.0002243800000000 ] - [ 0.0001039400000000, 0.0000021000000000, -0.0000690600000000 ] - [ 0.0005829000000000, -0.0030309500000000, -0.0001388600000000 ] - [ -0.0020656300000000, -0.0001998500000000, -0.0010505100000000 ] - [ -0.0002579700000000, 0.0002269600000000, -0.0003659600000000 ] - [ -0.0001472500000000, -0.0006797900000000, -0.0006396200000000 ] - [ -0.0004298600000000, -0.0007877300000000, 0.0003527600000000 ] - [ -0.0000868700000000, 0.0005555100000000, 0.0001518800000000 ] - [ -0.0043194700000000, -0.0043405600000000, 0.0005453700000000 ] - [ 0.0008523000000000, -0.0005914500000000, -0.0003173500000000 ] - [ -0.0007076500000000, -0.0006534800000000, -0.0002349800000000 ] - [ -0.0001643700000000, 0.0003998100000000, -0.0003055000000000 ] - [ -0.0001348500000000, -0.0005486000000000, 0.0002991500000000 ] - [ -0.0000217800000000, -0.0001295800000000, 0.0002308800000000 ] - [ 0.0001284300000000, 0.0001573400000000, 0.0003358600000000 ] - [ -0.0002904200000000, 0.0007290300000000, 0.0000967400000000 ] - [ -0.0015727500000000, 0.0002663300000000, 0.0008975200000000 ] - [ -0.0040046100000000, 0.0119971500000000, 0.0057874200000000 ] - [ 0.0001139500000000, 0.0005739600000000, -0.0004414500000000 ] - [ -0.0009762800000000, 0.0004642100000000, -0.0001810200000000 ] - [ -0.0005627500000000, 0.0006977200000000, 0.0003813900000000 ] - [ 0.0006763200000000, 0.0015894100000000, -0.0002004800000000 ] - [ 0.0000885000000000, -0.0002183000000000, -0.0004670200000000 ] - [ 0.0002281800000000, 0.0013674500000000, -0.0005245000000000 ] - [ 0.0029483700000000, 0.0006072000000000, 0.0013410100000000 ] - [ 0.0015781100000000, -0.0018844800000000, 0.0025645200000000 ] - [ 0.0003111600000000, 0.0002357700000000, -0.0007181900000000 ] - [ -0.0005842900000000, 0.0004682400000000, -0.0006015100000000 ] - [ -0.0003293300000000, -0.0005169000000000, 0.0008702100000000 ] - [ 0.0003242800000000, -0.0003208400000000, -0.0007935200000000 ] - [ -0.0091608600000000, -0.0026741600000000, 0.0065843400000000 ] - [ -0.0014328000000000, 0.0013135600000000, 0.0014807100000000 ] - [ 0.0012099400000000, 0.0001073900000000, -0.0006555100000000 ] - [ 0.0003274700000000, 0.0007339600000000, 0.0016801200000000 ] - [ 0.0005333200000000, -0.0009492300000000, 0.0001550300000000 ] - [ 0.0001562600000000, -0.0017414100000000, 0.0001461800000000 ] - [ 0.0001281000000000, -0.0019933100000000, -0.0014688200000000 ] - [ -0.0002768000000000, -0.0005688900000000, 0.0002680900000000 ] - [ -0.0000927300000000, -0.0003600600000000, 0.0008916700000000 ] - [ -0.0004483600000000, -0.0009495100000000, 0.0004784100000000 ] - [ -0.0001545700000000, 0.0000295700000000, 0.0001273000000000 ] - [ 0.0000859800000000, -0.0003592300000000, 0.0008622800000000 ] - [ 0.0003104900000000, 0.0004198500000000, -0.0001834400000000 ] - [ -0.0004692400000000, 0.0007514100000000, 0.0004940300000000 ] - [ -0.0002872200000000, -0.0001510100000000, -0.0005650700000000 ] - [ 0.0008037200000000, 0.0010547400000000, 0.0033546600000000 ] - [ 0.0001348800000000, -0.0000607500000000, 0.0001344200000000 ] - [ 0.0001625500000000, 0.0000060500000000, 0.0001534600000000 ] - [ -0.0001490500000000, -0.0001411800000000, 0.0007092900000000 ] - [ -0.0001276800000000, -0.0002033900000000, -0.0001563400000000 ] - [ -0.0003416800000000, -0.0004669200000000, -0.0001906500000000 ] - [ 0.0000060600000000, -0.0000053600000000, 0.0009782500000000 ] - [ 0.0000953900000000, -0.0003637000000000, -0.0001390700000000 ] - [ -0.0000905500000000, -0.0001006600000000, 0.0001436800000000 ] - [ 0.0031782900000000, -0.0015069700000000, 0.0000901300000000 ] - [ 0.0008233900000000, 0.0007181200000000, 0.0002686400000000 ] - [ 0.0003188800000000, 0.0002695900000000, 0.0002939700000000 ] - [ 0.0003442100000000, 0.0003369700000000, -0.0000293500000000 ] - [ 0.0002998100000000, 0.0002166300000000, 0.0005932000000000 ] - [ -0.0000208800000000, -0.0000054600000000, -0.0001926300000000 ] - [ -0.0002297500000000, 0.0002070700000000, -0.0001600100000000 ] - [ -0.0000968200000000, -0.0003477600000000, -0.0001164500000000 ] - [ -0.0005649800000000, -0.0006389000000000, 0.0002939400000000 ] - [ 0.0000991000000000, 0.0006418400000000, 0.0002087600000000 ] - [ 0.0005636200000000, -0.0006800300000000, 0.0002298000000000 ] - [ -0.0014079000000000, 0.0004427500000000, 0.0004989100000000 ] - [ -0.0008356900000000, -0.0005767300000000, -0.0001800900000000 ] - [ -0.0003360200000000, 0.0004336800000000, -0.0002086700000000 ] - [ -0.0001797100000000, -0.0009085700000000, -0.0000879600000000 ] - [ 0.0000858900000000, 0.0003380600000000, 0.0008824600000000 ] - [ -0.0000812300000000, 0.0006258400000000, 0.0003288200000000 ] - [ -0.0003616300000000, 0.0009646900000000, 0.0000247200000000 ] - [ -0.0000287000000000, 0.0000035500000000, 0.0009648200000000 ] - [ 0.0004629600000000, -0.0008999800000000, 0.0003815700000000 ] - [ 0.0000801900000000, 0.0002781000000000, -0.0001112700000000 ] - [ -0.0009200700000000, 0.0005961000000000, -0.0001955000000000 ] - [ -0.0005934000000000, 0.0006357500000000, 0.0002306800000000 ] - [ 0.0002896300000000, -0.0000469100000000, 0.0004571300000000 ] - [ 0.0001187200000000, -0.0002199300000000, -0.0001177600000000 ] - [ 0.0003342300000000, -0.0004452400000000, -0.0001861700000000 ] - [ -0.0003099900000000, 0.0004123900000000, -0.0001869700000000 ] - [ 0.0001196900000000, -0.0004958100000000, 0.0002869800000000 ] - [ 0.0007467000000000, 0.0005741600000000, 0.0010040500000000 ] - [ -0.0003224800000000, 0.0002956900000000, -0.0005878700000000 ] - [ -0.0003395400000000, -0.0002559100000000, 0.0007320700000000 ] - [ 0.0003483400000000, -0.0007166100000000, -0.0007990500000000 ] - [ -0.0003602900000000, -0.0002728000000000, -0.0000743300000000 ] - [ -0.0000893100000000, 0.0003219700000000, -0.0001284400000000 ] - [ 0.0000242400000000, -0.0000040200000000, -0.0001906800000000 ] - [ -0.0000703800000000, 0.0003452500000000, 0.0008246600000000 ] - [ 0.0001479800000000, 0.0001798300000000, -0.0001371400000000 ] - [ 0.0002729900000000, 0.0005650000000000, 0.0002677100000000 ]- atom: 78 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003139200000000, -0.0006253600000000, -0.0005344700000000 ] - [ 0.0005855600000000, -0.0010512400000000, -0.0002944500000000 ] - [ 0.0000482100000000, 0.0022851100000000, 0.0013277600000000 ] - [ -0.0004391500000000, -0.0008291700000000, 0.0002374700000000 ] - [ 0.0003492900000000, 0.0064714500000000, 0.0087482900000000 ] - [ -0.0035040700000000, 0.0272060200000000, 0.0010483500000000 ] - [ -0.0002385100000000, 0.0014069900000000, 0.0004844400000000 ] - [ -0.0000705800000000, 0.0005532400000000, 0.0006004100000000 ] - [ -0.0002984800000000, -0.0015746100000000, 0.0004298600000000 ] - [ 0.0007184600000000, 0.0001515300000000, 0.0000393600000000 ] - [ -0.0005841600000000, -0.0010208800000000, 0.0002801600000000 ] - [ 0.0005948200000000, -0.0013959600000000, -0.0001949000000000 ] - [ 0.0001500200000000, -0.0002252300000000, -0.0002764600000000 ] - [ 0.0000434800000000, 0.0005336700000000, 0.0003664100000000 ] - [ -0.0003405000000000, 0.0017250800000000, 0.0012025400000000 ] - [ 0.0004155700000000, -0.0005582000000000, -0.0005605900000000 ] - [ 0.0004155900000000, 0.0002701900000000, -0.0012850200000000 ] - [ 0.0005072700000000, -0.0012960500000000, -0.0003213200000000 ] - [ -0.0007276500000000, 0.0001323600000000, 0.0000158600000000 ] - [ -0.0004215500000000, -0.0004767500000000, -0.0004632000000000 ] - [ -0.0000037800000000, -0.0005606600000000, -0.0000244700000000 ] - [ 0.0000149700000000, -0.0004577600000000, 0.0003433000000000 ] - [ -0.0000574700000000, -0.0004600500000000, 0.0005836100000000 ] - [ 0.0000848500000000, -0.0006419600000000, 0.0005259900000000 ] - [ -0.0003198100000000, -0.0005939900000000, -0.0004421400000000 ] - [ 0.0009487300000000, 0.0030439900000000, -0.0020856400000000 ] - [ -0.0006885500000000, -0.0012138100000000, 0.0000275400000000 ] - [ -0.0000475400000000, -0.0003808400000000, 0.0003014200000000 ] - [ 0.0001445000000000, -0.0007636900000000, -0.0003019300000000 ] - [ -0.0000496600000000, -0.0006254400000000, 0.0002684100000000 ] - [ 0.0000108700000000, -0.0005989500000000, -0.0000353900000000 ] - [ 0.0000696000000000, 0.0003429600000000, -0.0014008300000000 ] - [ -0.0002177100000000, -0.0010073300000000, -0.0005887800000000 ] - [ -0.0001693300000000, 0.0032168600000000, 0.0044763200000000 ] - [ 0.0001628400000000, 0.0006799800000000, 0.0006620300000000 ] - [ 0.0004595900000000, 0.0048988200000000, -0.0021673000000000 ] - [ 0.0004021800000000, -0.0025738800000000, -0.0001064400000000 ] - [ 0.0003686800000000, 0.0001954300000000, 0.0009618100000000 ] - [ -0.0009450400000000, -0.0021932400000000, 0.0014392300000000 ] - [ -0.0000865700000000, -0.0005043400000000, -0.0011281000000000 ] - [ 0.0004057100000000, -0.0003232300000000, -0.0002503500000000 ] - [ -0.0003435900000000, 0.0019865300000000, -0.0001417500000000 ] - [ -0.0003586300000000, -0.0021239500000000, -0.0001246200000000 ] - [ -0.0252333300000000, 0.0355228800000000, -0.0194229800000000 ] - [ -0.0025841300000000, 0.0058682600000000, 0.0014248500000000 ] - [ -0.0010404000000000, -0.0018925600000000, -0.0064465700000000 ] - [ 0.0001649000000000, -0.0008739900000000, 0.0055496900000000 ] - [ -0.0004474600000000, -0.0010344700000000, -0.0002592200000000 ] - [ -0.0018984000000000, -0.0015067400000000, -0.0012879200000000 ] - [ 0.0006896800000000, -0.0022884000000000, 0.0001284200000000 ] - [ 0.0005749100000000, -0.0012659300000000, -0.0003688700000000 ] - [ 0.0007906600000000, -0.0002883600000000, -0.0000617100000000 ] - [ 0.0003015800000000, -0.0019119300000000, -0.0003425800000000 ] - [ 0.0000372200000000, -0.0013668300000000, -0.0005187400000000 ] - [ -0.0004877300000000, -0.0005939400000000, -0.0005986600000000 ] - [ -0.0006448000000000, 0.0035550500000000, -0.0000764600000000 ] - [ 0.0003821200000000, -0.0015226100000000, -0.0000574300000000 ] - [ -0.0005189100000000, -0.0011425400000000, -0.0007874100000000 ] - [ -0.0002550100000000, -0.0009883900000000, -0.0009633300000000 ] - [ 0.0005314600000000, -0.0010194800000000, -0.0007535200000000 ] - [ 0.0001104700000000, -0.0003685200000000, -0.0010594100000000 ] - [ -0.0007518200000000, -0.0020749000000000, -0.0001754700000000 ] - [ -0.0007404900000000, -0.0003322600000000, 0.0002751300000000 ] - [ -0.0002348400000000, -0.0065167000000000, -0.0040241800000000 ] - [ 0.0002613200000000, 0.0002865500000000, 0.0005885600000000 ] - [ -0.0008970200000000, -0.0046585700000000, -0.0014844600000000 ] - [ -0.0001384300000000, -0.0012706900000000, 0.0009579000000000 ] - [ -0.0004346400000000, -0.0021688800000000, -0.0003332900000000 ] - [ 0.0009554500000000, -0.0054570000000000, 0.0048484900000000 ] - [ -0.0070983200000000, 0.0013056500000000, -0.0099937200000000 ] - [ 0.0005539100000000, -0.0039852300000000, 0.0015172900000000 ] - [ -0.0003952600000000, 0.0018990600000000, -0.0002451900000000 ] - [ -0.0001523200000000, -0.0001026200000000, -0.0015190000000000 ] - [ 0.0003179300000000, 0.0000782100000000, -0.0000625200000000 ] - [ 0.0000736800000000, 0.0001807300000000, 0.0000545100000000 ] - [ 0.0003205600000000, -0.0006339300000000, 0.0003171300000000 ] - [ -0.0003338800000000, 0.0008381500000000, 0.0008280500000000 ] - [ 0.0290893800000000, -0.0738247800000000, 0.0064057900000000 ] - [ -0.0003154300000000, 0.0001430600000000, 0.0006747500000000 ] - [ -0.0008593400000000, -0.0004835500000000, 0.0016663400000000 ] - [ 0.0135070300000000, 0.0012475600000000, 0.0203820800000000 ] - [ -0.0001473400000000, -0.0001038700000000, 0.0001516200000000 ] - [ 0.0008225100000000, 0.0008890000000000, -0.0002698900000000 ] - [ 0.0005990900000000, 0.0010380600000000, 0.0002944600000000 ] - [ 0.0004102300000000, 0.0013118600000000, 0.0003497600000000 ] - [ 0.0004570100000000, 0.0006984300000000, -0.0000368000000000 ] - [ 0.0000851600000000, -0.0002345400000000, 0.0007845800000000 ] - [ 0.0024000100000000, -0.0003450100000000, 0.0008331500000000 ] - [ -0.0001053400000000, 0.0001704600000000, -0.0001163600000000 ] - [ -0.0002525700000000, -0.0014049200000000, -0.0004811300000000 ] - [ -0.0004035900000000, -0.0007829700000000, -0.0004640100000000 ] - [ 0.0000174800000000, 0.0009553000000000, 0.0001132700000000 ] - [ 0.0012001200000000, -0.0010917600000000, 0.0007775400000000 ] - [ 0.0009354100000000, -0.0002795400000000, -0.0002284900000000 ] - [ -0.0008662200000000, -0.0006807700000000, -0.0005347100000000 ] - [ -0.0002671700000000, 0.0006649600000000, -0.0004441100000000 ] - [ -0.0000961500000000, -0.0000964700000000, 0.0002250700000000 ] - [ 0.0000051700000000, 0.0000219100000000, 0.0011833900000000 ] - [ -0.0002126400000000, 0.0011422200000000, 0.0003579400000000 ] - [ -0.0003070400000000, 0.0016317500000000, -0.0003329400000000 ] - [ -0.0009660200000000, -0.0004186500000000, 0.0002624800000000 ] - [ -0.0075977400000000, 0.0062268000000000, 0.0004170100000000 ] - [ 0.0000582000000000, 0.0003073700000000, -0.0004662700000000 ] - [ -0.0008621400000000, 0.0004120200000000, -0.0005474800000000 ] - [ -0.0005905800000000, 0.0012871300000000, 0.0003478200000000 ] - [ 0.0001893100000000, 0.0017074700000000, -0.0002270100000000 ] - [ 0.0001120000000000, -0.0007119600000000, 0.0001534500000000 ] - [ 0.0000915600000000, 0.0002253200000000, -0.0005526200000000 ] - [ 0.0001524200000000, -0.0026091800000000, -0.0007296800000000 ] - [ 0.0018555900000000, 0.0015368900000000, -0.0059052500000000 ] - [ 0.0003794600000000, 0.0006136100000000, -0.0005840300000000 ] - [ -0.0003349100000000, 0.0001916000000000, -0.0017881200000000 ] - [ -0.0002607900000000, 0.0004528100000000, 0.0004774400000000 ] - [ 0.0002730300000000, 0.0000493100000000, -0.0005494100000000 ] - [ -0.0010699800000000, 0.0003089300000000, -0.0028889200000000 ] - [ -0.0021279100000000, 0.0022683000000000, 0.0022330000000000 ] - [ 0.0003403300000000, -0.0003595200000000, -0.0011135100000000 ] - [ 0.0026805100000000, 0.0024838500000000, -0.0048608200000000 ] - [ 0.0013119700000000, -0.0044709200000000, -0.0004830500000000 ] - [ 0.0003769400000000, 0.0024817300000000, 0.0001084800000000 ] - [ -0.0000065900000000, -0.0036947900000000, -0.0024266400000000 ] - [ -0.0002691900000000, 0.0001984300000000, 0.0006030100000000 ] - [ -0.0000575700000000, 0.0000637200000000, 0.0009394900000000 ] - [ -0.0004913300000000, -0.0000843900000000, 0.0007860700000000 ] - [ -0.0000569900000000, 0.0004318900000000, 0.0000562300000000 ] - [ 0.0000484000000000, 0.0000465800000000, 0.0008539500000000 ] - [ 0.0003320900000000, 0.0009441000000000, -0.0002306300000000 ] - [ -0.0004952100000000, 0.0010828000000000, 0.0000613200000000 ] - [ -0.0002362000000000, 0.0001081400000000, -0.0007575000000000 ] - [ 0.0009927600000000, -0.0019015200000000, -0.0000737400000000 ] - [ 0.0002210700000000, 0.0002516500000000, 0.0001993800000000 ] - [ 0.0000364700000000, 0.0004948100000000, 0.0000600300000000 ] - [ -0.0002711800000000, -0.0007851600000000, 0.0001605200000000 ] - [ -0.0001295700000000, 0.0001138000000000, -0.0001886500000000 ] - [ -0.0002934600000000, 0.0001014300000000, -0.0000480800000000 ] - [ 0.0000000800000000, 0.0003077400000000, 0.0010290000000000 ] - [ 0.0000416200000000, 0.0001820000000000, 0.0000125700000000 ] - [ -0.0002950400000000, 0.0005335600000000, 0.0002393200000000 ] - [ 0.0022461500000000, 0.0051279200000000, 0.0014694700000000 ] - [ 0.0004068200000000, 0.0016593400000000, 0.0006325700000000 ] - [ 0.0006603400000000, 0.0022602200000000, -0.0001395700000000 ] - [ 0.0005065300000000, 0.0005844000000000, 0.0002708000000000 ] - [ 0.0003286600000000, 0.0007113400000000, 0.0007489400000000 ] - [ 0.0000129100000000, 0.0002675800000000, -0.0001470800000000 ] - [ -0.0001247200000000, 0.0006834900000000, -0.0001468000000000 ] - [ -0.0000307600000000, 0.0002844900000000, 0.0000175900000000 ] - [ -0.0005314400000000, -0.0001457300000000, 0.0001894500000000 ] - [ 0.0002532800000000, 0.0009094000000000, 0.0002741200000000 ] - [ 0.0005456300000000, -0.0001943900000000, 0.0001955700000000 ] - [ 0.0002349900000000, 0.0006380800000000, 0.0003899400000000 ] - [ -0.0008958500000000, -0.0002788500000000, -0.0002165300000000 ] - [ -0.0004717700000000, 0.0006673700000000, -0.0002469300000000 ] - [ -0.0003796500000000, -0.0015320800000000, 0.0007953400000000 ] - [ 0.0001598400000000, 0.0008088000000000, 0.0009831800000000 ] - [ -0.0001601400000000, 0.0008051300000000, 0.0005711100000000 ] - [ -0.0000377200000000, 0.0016976700000000, -0.0015651900000000 ] - [ -0.0000360800000000, 0.0003312300000000, 0.0009216200000000 ] - [ 0.0004839900000000, -0.0001532100000000, 0.0007333500000000 ] - [ 0.0001547600000000, 0.0010918800000000, -0.0003966600000000 ] - [ -0.0008753500000000, 0.0010034800000000, -0.0002783400000000 ] - [ -0.0005550500000000, 0.0007684500000000, 0.0001255700000000 ] - [ 0.0002539400000000, 0.0005598400000000, 0.0004010700000000 ] - [ 0.0001127400000000, 0.0001375000000000, -0.0001591900000000 ] - [ 0.0003124200000000, 0.0000563200000000, -0.0002090300000000 ] - [ -0.0003275500000000, 0.0009392300000000, -0.0002657100000000 ] - [ 0.0000831700000000, -0.0001022700000000, 0.0002027000000000 ] - [ 0.0000514800000000, 0.0003562900000000, 0.0009241000000000 ] - [ -0.0003932100000000, 0.0006626500000000, -0.0006501800000000 ] - [ -0.0003205500000000, -0.0003761800000000, 0.0007147900000000 ] - [ 0.0005827100000000, 0.0000931000000000, 0.0004037800000000 ] - [ -0.0003121100000000, 0.0000598100000000, -0.0000873900000000 ] - [ -0.0001468500000000, 0.0008003100000000, -0.0001738300000000 ] - [ 0.0000080500000000, 0.0002905100000000, -0.0002380000000000 ] - [ -0.0000941200000000, 0.0007137500000000, 0.0007340000000000 ] - [ 0.0001525300000000, 0.0004057400000000, -0.0001016600000000 ] - [ 0.0002837500000000, 0.0011505700000000, 0.0001626900000000 ]- atom: 78 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004245300000000, 0.0005255600000000, -0.0004491100000000 ] - [ 0.0007037800000000, -0.0002437600000000, 0.0003195500000000 ] - [ -0.0013406900000000, -0.0009919100000000, -0.0012959400000000 ] - [ -0.0003012700000000, 0.0009117100000000, -0.0012205500000000 ] - [ -0.0002778600000000, -0.0063463300000000, -0.0086933000000000 ] - [ 0.0032324100000000, -0.0255612000000000, -0.0004424100000000 ] - [ 0.0002439100000000, -0.0013796700000000, 0.0006199000000000 ] - [ 0.0000699400000000, -0.0005523700000000, 0.0005066300000000 ] - [ -0.0004396900000000, 0.0014737600000000, -0.0014149300000000 ] - [ 0.0005729200000000, 0.0011399500000000, -0.0000143500000000 ] - [ -0.0007070000000000, -0.0002731200000000, -0.0002543900000000 ] - [ -0.0006632400000000, 0.0014177300000000, 0.0001654300000000 ] - [ -0.0000696700000000, 0.0002499300000000, 0.0002620000000000 ] - [ -0.0000428400000000, -0.0005331800000000, 0.0002451400000000 ] - [ 0.0002599000000000, -0.0017445100000000, -0.0012038400000000 ] - [ 0.0003221500000000, 0.0006572400000000, -0.0004229500000000 ] - [ 0.0003232800000000, -0.0003692800000000, 0.0003011000000000 ] - [ 0.0007844000000000, 0.0000044500000000, 0.0003461300000000 ] - [ -0.0005634700000000, 0.0011591600000000, 0.0000086500000000 ] - [ -0.0003169400000000, 0.0005738400000000, -0.0005215900000000 ] - [ 0.0000826900000000, 0.0005334100000000, 0.0000101100000000 ] - [ -0.0000148100000000, 0.0004568300000000, 0.0002675300000000 ] - [ 0.0000570900000000, 0.0004590200000000, 0.0005232900000000 ] - [ -0.0000849600000000, 0.0006412100000000, 0.0005808000000000 ] - [ -0.0004176400000000, 0.0004930300000000, -0.0005428000000000 ] - [ 0.0003463000000000, -0.0017619400000000, 0.0020957300000000 ] - [ -0.0006044200000000, -0.0000808600000000, -0.0000070100000000 ] - [ -0.0000315300000000, 0.0004055900000000, -0.0003154900000000 ] - [ -0.0000658300000000, 0.0007903300000000, 0.0002873600000000 ] - [ 0.0000499100000000, 0.0006247600000000, 0.0003420300000000 ] - [ -0.0000900600000000, 0.0005720300000000, 0.0000205700000000 ] - [ 0.0006672500000000, -0.0002408000000000, 0.0004175000000000 ] - [ -0.0004037100000000, 0.0008780300000000, -0.0002703900000000 ] - [ 0.0016590400000000, -0.0050332100000000, -0.0043689500000000 ] - [ 0.0004594700000000, -0.0005549200000000, -0.0015123500000000 ] - [ 0.0010334300000000, -0.0030140000000000, 0.0022493600000000 ] - [ -0.0000487400000000, 0.0013554300000000, -0.0016217800000000 ] - [ 0.0002527500000000, -0.0003222600000000, -0.0018115600000000 ] - [ -0.0000387300000000, 0.0021808100000000, -0.0025133100000000 ] - [ -0.0002680300000000, 0.0017213200000000, -0.0005980600000000 ] - [ 0.0005497700000000, 0.0003189900000000, -0.0008616500000000 ] - [ -0.0006121600000000, -0.0019821000000000, -0.0009704100000000 ] - [ 0.0000101900000000, 0.0009059000000000, -0.0015921300000000 ] - [ 0.0261010300000000, -0.0350755700000000, 0.0182228000000000 ] - [ 0.0029776400000000, -0.0046593400000000, -0.0031710800000000 ] - [ -0.0004475500000000, 0.0000358500000000, 0.0065371400000000 ] - [ -0.0016573100000000, 0.0027216900000000, -0.0054480100000000 ] - [ -0.0001747000000000, 0.0011585800000000, -0.0005980000000000 ] - [ 0.0012941500000000, 0.0013687100000000, 0.0004204800000000 ] - [ 0.0008051600000000, 0.0004265900000000, -0.0000399400000000 ] - [ 0.0000487100000000, 0.0013922700000000, -0.0004920200000000 ] - [ 0.0007038700000000, 0.0021466000000000, 0.0001504100000000 ] - [ 0.0000548900000000, 0.0006849700000000, -0.0013814800000000 ] - [ 0.0005835300000000, 0.0012426400000000, -0.0003443300000000 ] - [ -0.0004676900000000, 0.0005897900000000, -0.0005132900000000 ] - [ 0.0002959000000000, -0.0023310500000000, -0.0016457000000000 ] - [ 0.0005739200000000, 0.0015191500000000, -0.0010569100000000 ] - [ -0.0004368900000000, 0.0011441400000000, -0.0003258800000000 ] - [ -0.0000996500000000, -0.0002299400000000, -0.0007616300000000 ] - [ 0.0004245200000000, 0.0010204000000000, -0.0003596700000000 ] - [ 0.0002439700000000, 0.0015840800000000, -0.0006673300000000 ] - [ -0.0007429000000000, 0.0002148300000000, 0.0002635300000000 ] - [ -0.0007544800000000, 0.0021895900000000, -0.0001870800000000 ] - [ -0.0003919100000000, 0.0066632300000000, 0.0031715600000000 ] - [ 0.0002932200000000, -0.0014291700000000, -0.0000644400000000 ] - [ 0.0003423700000000, 0.0035005900000000, 0.0020002600000000 ] - [ -0.0000397800000000, 0.0005694500000000, 0.0007947400000000 ] - [ -0.0004811500000000, 0.0003627800000000, 0.0011948700000000 ] - [ -0.0013158900000000, 0.0054759700000000, -0.0045659500000000 ] - [ 0.0071703200000000, -0.0019900000000000, 0.0116299400000000 ] - [ 0.0000773300000000, 0.0047929000000000, -0.0018781200000000 ] - [ -0.0005158200000000, -0.0001003700000000, 0.0011087400000000 ] - [ -0.0004908500000000, -0.0004529900000000, 0.0002232900000000 ] - [ 0.0004012200000000, -0.0006493500000000, -0.0000811400000000 ] - [ 0.0002329000000000, -0.0002402400000000, 0.0002204400000000 ] - [ -0.0000150100000000, 0.0006918100000000, -0.0000425100000000 ] - [ -0.0002633800000000, -0.0004340900000000, 0.0004581100000000 ] - [ -0.0291951600000000, 0.0714562600000000, -0.0067740500000000 ] - [ -0.0003087800000000, -0.0009857700000000, -0.0010407700000000 ] - [ 0.0008499900000000, 0.0004820700000000, 0.0002894300000000 ] - [ -0.0131504500000000, -0.0019018800000000, -0.0204047800000000 ] - [ -0.0001579100000000, 0.0000436000000000, 0.0001240300000000 ] - [ 0.0009199300000000, 0.0002720700000000, -0.0002411200000000 ] - [ 0.0005331900000000, 0.0002850400000000, 0.0002181100000000 ] - [ 0.0005052500000000, 0.0004913600000000, 0.0005147600000000 ] - [ 0.0002623300000000, -0.0001278100000000, -0.0001101100000000 ] - [ 0.0005104700000000, 0.0006566400000000, 0.0005124500000000 ] - [ -0.0023828400000000, 0.0003429100000000, -0.0012179800000000 ] - [ -0.0001466500000000, 0.0002415900000000, -0.0001630600000000 ] - [ 0.0000605100000000, 0.0006951000000000, 0.0002194800000000 ] - [ -0.0007324100000000, -0.0005390100000000, 0.0009749000000000 ] - [ 0.0002314400000000, 0.0000818800000000, 0.0004771100000000 ] - [ -0.0000613800000000, -0.0002189600000000, -0.0002621200000000 ] - [ 0.0008075300000000, -0.0008809300000000, -0.0002822600000000 ] - [ -0.0008760600000000, -0.0004791700000000, 0.0000220700000000 ] - [ -0.0004519200000000, -0.0000935400000000, 0.0003009400000000 ] - [ -0.0001514500000000, -0.0009396600000000, 0.0003638100000000 ] - [ 0.0001711900000000, 0.0006715000000000, 0.0005685000000000 ] - [ -0.0000363100000000, -0.0001068700000000, 0.0002267700000000 ] - [ -0.0002480400000000, -0.0004880500000000, 0.0008563900000000 ] - [ 0.0009598700000000, 0.0004155400000000, 0.0016891200000000 ] - [ 0.0087103800000000, -0.0081386800000000, 0.0004292800000000 ] - [ 0.0001329100000000, 0.0003980600000000, 0.0002027100000000 ] - [ -0.0008820200000000, 0.0007485900000000, 0.0000344200000000 ] - [ -0.0005426300000000, 0.0000364900000000, 0.0001666900000000 ] - [ 0.0004083500000000, -0.0021150800000000, 0.0015199600000000 ] - [ 0.0001384700000000, 0.0002991300000000, -0.0004317000000000 ] - [ 0.0005316100000000, -0.0010689400000000, 0.0001812000000000 ] - [ -0.0007745600000000, 0.0034329500000000, 0.0003720800000000 ] - [ -0.0016356900000000, -0.0025756800000000, 0.0065765800000000 ] - [ 0.0002632900000000, -0.0000567400000000, -0.0007074100000000 ] - [ -0.0003065000000000, 0.0003666900000000, 0.0004893100000000 ] - [ -0.0003366400000000, -0.0008576400000000, 0.0008091500000000 ] - [ 0.0003697100000000, -0.0006058600000000, -0.0007428800000000 ] - [ 0.0003056700000000, -0.0008682900000000, 0.0027319300000000 ] - [ 0.0019016200000000, -0.0015212100000000, -0.0024648200000000 ] - [ -0.0003383000000000, 0.0003567200000000, 0.0007249700000000 ] - [ -0.0028080200000000, -0.0017480100000000, 0.0065279500000000 ] - [ -0.0010279600000000, 0.0047296300000000, 0.0001843700000000 ] - [ 0.0001766700000000, -0.0013239700000000, 0.0004097200000000 ] - [ 0.0005600900000000, 0.0025371400000000, 0.0029378800000000 ] - [ -0.0002854000000000, -0.0013405100000000, -0.0000782600000000 ] - [ -0.0001198300000000, -0.0007596300000000, 0.0008132800000000 ] - [ -0.0004244100000000, -0.0017182100000000, 0.0000789400000000 ] - [ -0.0002476200000000, -0.0003719800000000, 0.0002190700000000 ] - [ 0.0001284600000000, -0.0007424700000000, 0.0008986400000000 ] - [ 0.0002914500000000, -0.0000933900000000, -0.0001422100000000 ] - [ -0.0004205500000000, 0.0007197400000000, 0.0008009400000000 ] - [ -0.0004060800000000, -0.0006652400000000, -0.0005324900000000 ] - [ -0.0002767700000000, 0.0013231900000000, -0.0000959600000000 ] - [ 0.0000841400000000, -0.0003113500000000, 0.0000758700000000 ] - [ 0.0002685400000000, -0.0004350600000000, 0.0002156100000000 ] - [ -0.0003268500000000, 0.0011840800000000, 0.0011207500000000 ] - [ -0.0001232200000000, -0.0005265100000000, -0.0000913800000000 ] - [ -0.0003299300000000, -0.0009527300000000, -0.0003242500000000 ] - [ -0.0000000400000000, -0.0003077200000000, 0.0009230600000000 ] - [ 0.0001491300000000, -0.0008869500000000, -0.0002769500000000 ] - [ -0.0000099600000000, -0.0005933700000000, 0.0000368900000000 ] - [ -0.0005206200000000, -0.0040370200000000, -0.0020132400000000 ] - [ 0.0007279200000000, -0.0003408000000000, -0.0001194400000000 ] - [ 0.0002529300000000, -0.0004597000000000, 0.0010088800000000 ] - [ 0.0002122000000000, -0.0000137400000000, -0.0004153000000000 ] - [ 0.0002688400000000, -0.0003053600000000, 0.0005379100000000 ] - [ -0.0000128800000000, -0.0002675700000000, -0.0002391300000000 ] - [ -0.0001278400000000, -0.0002709000000000, -0.0001319900000000 ] - [ -0.0001602300000000, -0.0009893700000000, -0.0002814100000000 ] - [ -0.0006004200000000, -0.0011777100000000, 0.0003242100000000 ] - [ -0.0000038400000000, 0.0001287700000000, 0.0003162000000000 ] - [ 0.0005864700000000, -0.0011279100000000, 0.0003175600000000 ] - [ 0.0015157000000000, -0.0018069400000000, -0.0009011600000000 ] - [ -0.0008477700000000, -0.0008844500000000, -0.0002930600000000 ] - [ -0.0002491300000000, -0.0000942800000000, 0.0001035000000000 ] - [ 0.0001287500000000, 0.0004928600000000, -0.0002043100000000 ] - [ 0.0000174300000000, -0.0001135300000000, 0.0007690400000000 ] - [ -0.0000871100000000, 0.0002304600000000, 0.0000174400000000 ] - [ -0.0005143100000000, -0.0005428500000000, 0.0020734200000000 ] - [ 0.0000361700000000, -0.0003314300000000, 0.0010305700000000 ] - [ 0.0004313400000000, -0.0016482700000000, 0.0001316800000000 ] - [ 0.0000361900000000, -0.0003872200000000, 0.0001324800000000 ] - [ -0.0008673300000000, 0.0001571100000000, -0.0002315000000000 ] - [ -0.0005773500000000, 0.0005561300000000, 0.0003872000000000 ] - [ 0.0003430100000000, -0.0009609900000000, 0.0008843700000000 ] - [ 0.0001396000000000, -0.0005505100000000, -0.0001203900000000 ] - [ 0.0003112000000000, -0.0009066000000000, -0.0001628100000000 ] - [ -0.0002960300000000, -0.0000881100000000, -0.0001073900000000 ] - [ 0.0001646000000000, -0.0009335000000000, 0.0003867700000000 ] - [ 0.0005928600000000, 0.0002042400000000, -0.0022142200000000 ] - [ -0.0002499500000000, -0.0001060000000000, -0.0006395800000000 ] - [ -0.0002769000000000, -0.0000296200000000, 0.0005698200000000 ] - [ 0.0000562200000000, -0.0006501600000000, -0.0016979000000000 ] - [ -0.0004070700000000, -0.0006309500000000, -0.0000560200000000 ] - [ -0.0000439800000000, -0.0000946100000000, -0.0000910500000000 ] - [ -0.0000080100000000, -0.0002906600000000, -0.0001476900000000 ] - [ -0.0000831600000000, -0.0000178200000000, 0.0010180400000000 ] - [ 0.0001000000000000, 0.0000070900000000, -0.0001785700000000 ] - [ 0.0002710400000000, -0.0000082700000000, 0.0003610600000000 ]- atom: 78 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002997300000000, -0.0002340400000000, -0.0005132400000000 ] - [ 0.0007319600000000, -0.0011496300000000, -0.0005088800000000 ] - [ -0.0003554400000000, 0.0009030000000000, -0.0026425300000000 ] - [ -0.0000091600000000, 0.0023099100000000, -0.0004039800000000 ] - [ 0.0026981800000000, 0.0108854300000000, 0.0279818600000000 ] - [ 0.0029761000000000, 0.0028508200000000, 0.0047225100000000 ] - [ -0.0011804900000000, -0.0016198400000000, 0.0026667200000000 ] - [ -0.0001087800000000, -0.0000900000000000, -0.0008022500000000 ] - [ -0.0006255100000000, 0.0026575000000000, -0.0005815400000000 ] - [ 0.0006374200000000, 0.0006749900000000, -0.0000409600000000 ] - [ -0.0006444100000000, -0.0002055200000000, -0.0001229900000000 ] - [ -0.0001524700000000, 0.0013551700000000, 0.0004078500000000 ] - [ -0.0001910200000000, -0.0005836800000000, -0.0005515500000000 ] - [ 0.0003119600000000, -0.0000893500000000, -0.0014721300000000 ] - [ -0.0003334100000000, -0.0002664000000000, -0.0024709400000000 ] - [ 0.0003829100000000, -0.0001562500000000, -0.0005455100000000 ] - [ 0.0002167000000000, -0.0006535100000000, -0.0010246800000000 ] - [ 0.0005999900000000, -0.0010182700000000, 0.0000552500000000 ] - [ -0.0006331600000000, 0.0007191200000000, 0.0000625000000000 ] - [ -0.0003547600000000, 0.0003104000000000, -0.0004932000000000 ] - [ 0.0000335000000000, 0.0000392800000000, -0.0000539100000000 ] - [ -0.0000000300000000, 0.0000773800000000, 0.0002115400000000 ] - [ 0.0000108000000000, 0.0000740400000000, 0.0004863100000000 ] - [ -0.0000021700000000, 0.0000345700000000, 0.0006195300000000 ] - [ -0.0004260700000000, 0.0002458800000000, -0.0005060000000000 ] - [ 0.0023276400000000, -0.0011541000000000, 0.0017288200000000 ] - [ -0.0009521300000000, 0.0002656600000000, 0.0005572100000000 ] - [ 0.0000220400000000, 0.0003559800000000, -0.0001714100000000 ] - [ 0.0001644400000000, -0.0002583800000000, 0.0000489800000000 ] - [ 0.0000014400000000, 0.0000207000000000, 0.0004011600000000 ] - [ -0.0000587200000000, 0.0000510000000000, 0.0000396600000000 ] - [ 0.0004575000000000, -0.0003608400000000, -0.0013632200000000 ] - [ -0.0003688800000000, -0.0000062800000000, -0.0008216300000000 ] - [ 0.0002875500000000, 0.0053443300000000, -0.0035781400000000 ] - [ 0.0004425700000000, 0.0006297400000000, -0.0026552800000000 ] - [ 0.0004428600000000, -0.0019347000000000, -0.0008460600000000 ] - [ 0.0001768500000000, -0.0003044400000000, -0.0003616400000000 ] - [ 0.0002199200000000, 0.0006092500000000, -0.0029710200000000 ] - [ -0.0006727800000000, -0.0008995600000000, 0.0004361700000000 ] - [ -0.0001846800000000, 0.0006784500000000, -0.0007539800000000 ] - [ 0.0005875200000000, 0.0008865600000000, -0.0016418600000000 ] - [ -0.0009321400000000, -0.0021847000000000, -0.0036148000000000 ] - [ -0.0004071000000000, -0.0024293500000000, 0.0009768300000000 ] - [ 0.0726262400000000, -0.0225960900000000, 0.0873431600000000 ] - [ 0.0016546700000000, 0.0015098000000000, 0.0056430700000000 ] - [ -0.0011293100000000, -0.0049294000000000, -0.0066941800000000 ] - [ -0.0016643500000000, 0.0035419800000000, -0.0075370000000000 ] - [ -0.0002926800000000, 0.0000140000000000, -0.0010550000000000 ] - [ -0.0012245800000000, -0.0033605500000000, 0.0038544300000000 ] - [ 0.0007575200000000, -0.0005674400000000, 0.0000531700000000 ] - [ 0.0002901500000000, 0.0003987300000000, 0.0002624000000000 ] - [ 0.0007748500000000, 0.0009253200000000, -0.0000750500000000 ] - [ 0.0001380000000000, 0.0005405800000000, -0.0018600000000000 ] - [ 0.0002927000000000, 0.0001755000000000, 0.0000392600000000 ] - [ -0.0005497800000000, 0.0002421600000000, -0.0009554100000000 ] - [ 0.0005750600000000, -0.0014748200000000, -0.0030660600000000 ] - [ 0.0004199300000000, -0.0000152900000000, -0.0000839600000000 ] - [ -0.0004698100000000, 0.0001088000000000, -0.0004560200000000 ] - [ -0.0002006000000000, -0.0005252200000000, -0.0013407800000000 ] - [ 0.0004830000000000, 0.0001074300000000, -0.0006133800000000 ] - [ 0.0001796100000000, 0.0007439800000000, -0.0009250900000000 ] - [ -0.0007511800000000, -0.0010020400000000, 0.0000060000000000 ] - [ -0.0007109500000000, 0.0011809400000000, 0.0001630200000000 ] - [ 0.0025026900000000, 0.0002770900000000, 0.0019384500000000 ] - [ 0.0002717300000000, -0.0006277500000000, 0.0002196800000000 ] - [ -0.0010293200000000, 0.0008031700000000, 0.0013572500000000 ] - [ -0.0002013200000000, -0.0000758800000000, 0.0021992900000000 ] - [ -0.0003564400000000, -0.0000305000000000, 0.0018811000000000 ] - [ 0.0014703300000000, 0.0053787600000000, -0.0106536100000000 ] - [ 0.0076218400000000, -0.0091132100000000, 0.0069353700000000 ] - [ 0.0001867500000000, 0.0013561500000000, 0.0025234400000000 ] - [ -0.0004936700000000, 0.0010172300000000, 0.0000077900000000 ] - [ -0.0006452500000000, -0.0008880100000000, 0.0004190400000000 ] - [ 0.0003539500000000, -0.0002887900000000, -0.0000891600000000 ] - [ 0.0003476300000000, 0.0000564900000000, -0.0003610900000000 ] - [ 0.0003575200000000, 0.0001114900000000, 0.0012215500000000 ] - [ -0.0003106600000000, 0.0001436700000000, 0.0004713600000000 ] - [ -0.0898096900000000, 0.0070698000000000, -0.1285370800000000 ] - [ -0.0002126700000000, 0.0003824700000000, -0.0000518500000000 ] - [ -0.0009025600000000, 0.0006661100000000, 0.0016963900000000 ] - [ 0.0071759200000000, 0.0104878300000000, 0.0123658700000000 ] - [ -0.0002698000000000, -0.0000021500000000, 0.0006334000000000 ] - [ 0.0008594500000000, 0.0005613900000000, -0.0001448000000000 ] - [ 0.0005970600000000, 0.0009217700000000, 0.0005431400000000 ] - [ 0.0004222400000000, 0.0006182000000000, 0.0008684500000000 ] - [ 0.0006363400000000, 0.0007084900000000, -0.0002825200000000 ] - [ -0.0000015400000000, -0.0022942400000000, -0.0028880700000000 ] - [ 0.0021582600000000, 0.0007209900000000, 0.0006019300000000 ] - [ 0.0000999500000000, 0.0001835100000000, 0.0005541900000000 ] - [ -0.0003898400000000, -0.0000168600000000, 0.0035197000000000 ] - [ -0.0006934300000000, -0.0013519100000000, 0.0015396500000000 ] - [ -0.0000552300000000, 0.0002091900000000, 0.0000402500000000 ] - [ 0.0056196200000000, 0.0044145500000000, -0.0013667900000000 ] - [ 0.0008685900000000, -0.0005689800000000, -0.0001280500000000 ] - [ -0.0008433100000000, -0.0007263500000000, 0.0002520200000000 ] - [ -0.0003172000000000, 0.0001801100000000, -0.0002515000000000 ] - [ -0.0001060400000000, -0.0005151300000000, 0.0002785800000000 ] - [ 0.0003722500000000, 0.0012121800000000, 0.0020922100000000 ] - [ -0.0003846800000000, 0.0010330100000000, 0.0000814600000000 ] - [ -0.0002632400000000, 0.0002437400000000, 0.0003514900000000 ] - [ -0.0004308600000000, -0.0012327800000000, 0.0014122100000000 ] - [ -0.0022851900000000, -0.0019407000000000, -0.0068179000000000 ] - [ 0.0001305300000000, -0.0003504300000000, 0.0009824500000000 ] - [ -0.0008753600000000, 0.0003660100000000, 0.0003596300000000 ] - [ -0.0005841800000000, 0.0002686600000000, -0.0000469700000000 ] - [ 0.0002782300000000, -0.0002645300000000, -0.0006369700000000 ] - [ -0.0002016400000000, 0.0000843800000000, 0.0012581600000000 ] - [ 0.0003333100000000, -0.0028260100000000, 0.0002608200000000 ] - [ -0.0094721400000000, -0.0057195700000000, 0.0063164900000000 ] - [ -0.0021410500000000, -0.0066641900000000, 0.0054221600000000 ] - [ 0.0003294000000000, 0.0003236100000000, -0.0005377600000000 ] - [ -0.0000518000000000, -0.0004259400000000, 0.0009740300000000 ] - [ -0.0002499100000000, 0.0002583400000000, 0.0001792400000000 ] - [ 0.0003043800000000, -0.0001692000000000, -0.0004049700000000 ] - [ 0.0036264800000000, -0.0024474500000000, 0.0014719200000000 ] - [ -0.0003064100000000, 0.0014575200000000, -0.0011796400000000 ] - [ -0.0000145200000000, -0.0006567200000000, 0.0009426000000000 ] - [ -0.0010455800000000, -0.0019493600000000, 0.0014913400000000 ] - [ 0.0004159600000000, 0.0005569600000000, -0.0014668500000000 ] - [ 0.0002939100000000, 0.0039559500000000, 0.0000973400000000 ] - [ 0.0001324800000000, 0.0010822300000000, 0.0023885300000000 ] - [ -0.0002829500000000, -0.0006721300000000, 0.0002379200000000 ] - [ -0.0000829400000000, -0.0003430300000000, 0.0008269000000000 ] - [ -0.0004759100000000, -0.0009469000000000, 0.0002802000000000 ] - [ -0.0001744900000000, -0.0000361900000000, 0.0001858000000000 ] - [ 0.0001033000000000, -0.0004344800000000, 0.0009255700000000 ] - [ 0.0003104800000000, 0.0004041200000000, -0.0001751300000000 ] - [ -0.0004249900000000, 0.0005870700000000, 0.0010718800000000 ] - [ -0.0003649400000000, -0.0005471200000000, -0.0008607300000000 ] - [ 0.0012698900000000, -0.0024081800000000, -0.0044308700000000 ] - [ 0.0001368500000000, -0.0000707100000000, 0.0002551800000000 ] - [ 0.0001500600000000, 0.0000082500000000, 0.0001040000000000 ] - [ -0.0004741800000000, 0.0010901800000000, 0.0019855400000000 ] - [ -0.0001100700000000, -0.0002552000000000, -0.0000751400000000 ] - [ -0.0002973500000000, -0.0003342300000000, -0.0001389700000000 ] - [ 0.0000057400000000, 0.0000122000000000, 0.0009767000000000 ] - [ 0.0001077000000000, -0.0003484200000000, -0.0000752900000000 ] - [ -0.0001603400000000, -0.0000756900000000, -0.0000184100000000 ] - [ 0.0008313700000000, 0.0050945800000000, -0.0018175700000000 ] - [ 0.0003331000000000, 0.0013757500000000, 0.0001091500000000 ] - [ 0.0008322500000000, 0.0012478500000000, -0.0003580900000000 ] - [ 0.0004732900000000, 0.0004445300000000, 0.0002045200000000 ] - [ 0.0002926000000000, 0.0001447700000000, 0.0007578100000000 ] - [ -0.0000148500000000, 0.0000090100000000, -0.0001600100000000 ] - [ -0.0001066700000000, 0.0002141800000000, -0.0003986600000000 ] - [ -0.0000928700000000, -0.0004856400000000, -0.0002292200000000 ] - [ -0.0005683700000000, -0.0007743400000000, 0.0001978200000000 ] - [ 0.0000645100000000, 0.0001983500000000, 0.0004797600000000 ] - [ 0.0005713900000000, -0.0006693200000000, 0.0003219100000000 ] - [ 0.0015135200000000, -0.0000491100000000, -0.0009677700000000 ] - [ -0.0008841400000000, -0.0006802900000000, -0.0004044100000000 ] - [ -0.0003112400000000, -0.0001213300000000, 0.0002760800000000 ] - [ -0.0004186200000000, 0.0000794400000000, 0.0014492100000000 ] - [ 0.0000986700000000, 0.0004076600000000, 0.0008400800000000 ] - [ -0.0002310600000000, 0.0006851700000000, 0.0005548100000000 ] - [ -0.0002688800000000, -0.0007879600000000, 0.0014231400000000 ] - [ 0.0000161200000000, -0.0000805200000000, 0.0009797400000000 ] - [ 0.0004383200000000, -0.0010051000000000, 0.0005080800000000 ] - [ 0.0000890800000000, 0.0004177200000000, -0.0002568900000000 ] - [ -0.0008716100000000, 0.0005049700000000, -0.0003735600000000 ] - [ -0.0005893400000000, 0.0002100900000000, 0.0005059000000000 ] - [ 0.0003231200000000, -0.0006882700000000, 0.0010931600000000 ] - [ 0.0001486600000000, -0.0002259300000000, -0.0002037300000000 ] - [ 0.0003269000000000, -0.0006430900000000, -0.0002572900000000 ] - [ -0.0003102600000000, 0.0003491400000000, -0.0001838100000000 ] - [ 0.0001476000000000, -0.0006096400000000, 0.0003321100000000 ] - [ -0.0000553100000000, 0.0012735100000000, -0.0017374900000000 ] - [ -0.0003056400000000, 0.0001514100000000, -0.0007284000000000 ] - [ -0.0002828600000000, -0.0003760100000000, 0.0012463300000000 ] - [ 0.0002768200000000, 0.0005683400000000, -0.0001996400000000 ] - [ -0.0003736400000000, -0.0003521900000000, -0.0000464400000000 ] - [ -0.0000888700000000, 0.0002006200000000, 0.0000052800000000 ] - [ -0.0000302800000000, -0.0000704300000000, -0.0002238200000000 ] - [ -0.0000849800000000, 0.0002313900000000, 0.0009432800000000 ] - [ 0.0001290700000000, 0.0001681400000000, 0.0000410200000000 ] - [ 0.0002901500000000, 0.0006499200000000, 0.0003058700000000 ]- atom: 78 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004392700000000, 0.0001326000000000, -0.0004726000000000 ] - [ 0.0005608400000000, -0.0001437800000000, 0.0005355500000000 ] - [ -0.0009421800000000, 0.0003845900000000, 0.0026698300000000 ] - [ -0.0007327000000000, -0.0022133300000000, -0.0005802500000000 ] - [ -0.0031425900000000, -0.0114717300000000, -0.0296453500000000 ] - [ -0.0029751800000000, -0.0029723900000000, -0.0041584800000000 ] - [ 0.0011853800000000, 0.0016336900000000, -0.0015744100000000 ] - [ 0.0001087600000000, 0.0000904800000000, 0.0019099000000000 ] - [ -0.0001186700000000, -0.0027454300000000, -0.0004014500000000 ] - [ 0.0006540900000000, 0.0006188200000000, 0.0000685800000000 ] - [ -0.0006464900000000, -0.0010881700000000, 0.0001510800000000 ] - [ 0.0000723700000000, -0.0013296500000000, -0.0004205700000000 ] - [ 0.0002665400000000, 0.0006098000000000, 0.0005354500000000 ] - [ -0.0003130700000000, 0.0000887700000000, 0.0020860200000000 ] - [ 0.0002607300000000, 0.0002418600000000, 0.0024593200000000 ] - [ 0.0003559600000000, 0.0002563100000000, -0.0004404700000000 ] - [ 0.0005207900000000, 0.0005523300000000, 0.0000396800000000 ] - [ 0.0006918400000000, -0.0002763200000000, -0.0000277200000000 ] - [ -0.0006581900000000, 0.0005744400000000, -0.0000346600000000 ] - [ -0.0003843400000000, -0.0002101800000000, -0.0004921100000000 ] - [ 0.0000430200000000, -0.0000644500000000, 0.0000387300000000 ] - [ 0.0000001200000000, -0.0000777000000000, 0.0003986000000000 ] - [ -0.0000110100000000, -0.0000744600000000, 0.0006193900000000 ] - [ 0.0000021200000000, -0.0000351100000000, 0.0004862900000000 ] - [ -0.0003127300000000, -0.0003473000000000, -0.0004795100000000 ] - [ -0.0010424300000000, 0.0024567900000000, -0.0017166200000000 ] - [ -0.0003373700000000, -0.0015612500000000, -0.0005308000000000 ] - [ -0.0000985400000000, -0.0003313900000000, 0.0001567500000000 ] - [ -0.0000884300000000, 0.0002825400000000, -0.0000645600000000 ] - [ -0.0000012300000000, -0.0000212600000000, 0.0002089900000000 ] - [ -0.0000178600000000, -0.0000763000000000, -0.0000546600000000 ] - [ 0.0002849700000000, 0.0004568800000000, 0.0003827100000000 ] - [ -0.0002531400000000, -0.0001200400000000, -0.0000361400000000 ] - [ 0.0012210300000000, -0.0072223500000000, 0.0036589900000000 ] - [ 0.0001794500000000, -0.0005054700000000, 0.0017982400000000 ] - [ 0.0010475100000000, 0.0037852600000000, 0.0009446400000000 ] - [ 0.0001754900000000, -0.0009155200000000, -0.0013675300000000 ] - [ 0.0004017600000000, -0.0007393600000000, 0.0021106600000000 ] - [ -0.0002767700000000, 0.0009127300000000, -0.0015617100000000 ] - [ -0.0001674700000000, 0.0005381400000000, -0.0009761600000000 ] - [ 0.0003700900000000, -0.0008887100000000, 0.0005329000000000 ] - [ -0.0000224700000000, 0.0021939700000000, 0.0025107000000000 ] - [ 0.0000521600000000, 0.0012055600000000, -0.0027032500000000 ] - [ -0.0685270400000000, 0.0216052700000000, -0.0869432400000000 ] - [ -0.0013318700000000, -0.0003460900000000, -0.0072957600000000 ] - [ -0.0003674200000000, 0.0031127100000000, 0.0067516200000000 ] - [ 0.0001607500000000, -0.0016576800000000, 0.0076219900000000 ] - [ -0.0003294600000000, 0.0001117500000000, 0.0001970800000000 ] - [ 0.0006006000000000, 0.0032273500000000, -0.0047183300000000 ] - [ 0.0007387900000000, -0.0012935600000000, 0.0000339400000000 ] - [ 0.0003316700000000, -0.0002740400000000, -0.0011191200000000 ] - [ 0.0007213300000000, 0.0009337200000000, 0.0001621000000000 ] - [ 0.0002135500000000, -0.0017566500000000, 0.0001306200000000 ] - [ 0.0003305100000000, -0.0003013000000000, -0.0008968600000000 ] - [ -0.0004077300000000, -0.0002437900000000, -0.0001552900000000 ] - [ -0.0009361700000000, 0.0026927600000000, 0.0013258100000000 ] - [ 0.0005378400000000, 0.0000130000000000, -0.0010257000000000 ] - [ -0.0004877800000000, -0.0001085800000000, -0.0006553800000000 ] - [ -0.0001510800000000, -0.0006931700000000, -0.0003893400000000 ] - [ 0.0004746900000000, -0.0001067300000000, -0.0004975000000000 ] - [ 0.0001725400000000, 0.0004727000000000, -0.0008049800000000 ] - [ -0.0007450200000000, -0.0008583300000000, 0.0000807800000000 ] - [ -0.0007853000000000, 0.0006779900000000, -0.0000757900000000 ] - [ -0.0031407000000000, -0.0001893900000000, -0.0028245300000000 ] - [ 0.0002815100000000, -0.0005082600000000, 0.0003068800000000 ] - [ 0.0004585400000000, -0.0019403400000000, -0.0008259000000000 ] - [ 0.0000276900000000, -0.0006248100000000, -0.0004411700000000 ] - [ -0.0005616400000000, -0.0017780800000000, -0.0010186800000000 ] - [ -0.0017905700000000, -0.0052779400000000, 0.0108623400000000 ] - [ -0.0075195200000000, 0.0085147100000000, -0.0051765600000000 ] - [ 0.0004370800000000, -0.0005200800000000, -0.0029154600000000 ] - [ -0.0004234200000000, 0.0007881100000000, 0.0008600800000000 ] - [ -0.0000036100000000, 0.0003261400000000, -0.0017091500000000 ] - [ 0.0003718800000000, -0.0002800200000000, -0.0000539400000000 ] - [ -0.0000528100000000, -0.0001113400000000, 0.0006351100000000 ] - [ -0.0000644800000000, -0.0000588700000000, -0.0009534000000000 ] - [ -0.0002862300000000, 0.0002586900000000, 0.0008108500000000 ] - [ 0.0869573100000000, -0.0061166300000000, 0.1282781900000000 ] - [ -0.0004100800000000, -0.0012365300000000, -0.0003269100000000 ] - [ 0.0008984900000000, -0.0006693100000000, 0.0002439200000000 ] - [ -0.0068298800000000, -0.0109800200000000, -0.0124994500000000 ] - [ -0.0000245000000000, -0.0000522900000000, -0.0003635900000000 ] - [ 0.0008834300000000, 0.0005884200000000, -0.0003644900000000 ] - [ 0.0005359700000000, 0.0004009200000000, -0.0000260600000000 ] - [ 0.0004949300000000, 0.0011896400000000, -0.0000045400000000 ] - [ 0.0000918200000000, -0.0001385400000000, 0.0001406100000000 ] - [ 0.0005905800000000, 0.0027129900000000, 0.0041809600000000 ] - [ -0.0021423300000000, -0.0007218900000000, -0.0009787300000000 ] - [ -0.0003594100000000, 0.0002305000000000, -0.0008376200000000 ] - [ 0.0002031700000000, -0.0006868900000000, -0.0038010900000000 ] - [ -0.0004414200000000, 0.0000309700000000, -0.0010216500000000 ] - [ 0.0003073300000000, 0.0008256400000000, 0.0005493500000000 ] - [ -0.0045300800000000, -0.0057627600000000, 0.0018810900000000 ] - [ 0.0008744200000000, -0.0005808500000000, -0.0003810700000000 ] - [ -0.0008998500000000, -0.0004229800000000, -0.0007611100000000 ] - [ -0.0004083600000000, 0.0003923400000000, 0.0001067800000000 ] - [ -0.0001460600000000, -0.0005200000000000, 0.0003111000000000 ] - [ -0.0002017300000000, -0.0005192900000000, -0.0003397200000000 ] - [ 0.0001294000000000, 0.0000039900000000, 0.0005083500000000 ] - [ -0.0002905200000000, 0.0008933600000000, 0.0001742100000000 ] - [ 0.0004384400000000, 0.0012408600000000, 0.0005271400000000 ] - [ 0.0031682900000000, 0.0001588400000000, 0.0076819500000000 ] - [ 0.0000596600000000, 0.0010507300000000, -0.0012411300000000 ] - [ -0.0008671900000000, 0.0007852300000000, -0.0008690300000000 ] - [ -0.0005480000000000, 0.0010537900000000, 0.0005633200000000 ] - [ 0.0003239300000000, -0.0001324800000000, 0.0019168500000000 ] - [ 0.0004622200000000, -0.0005011600000000, -0.0015430200000000 ] - [ 0.0002923000000000, 0.0019856700000000, -0.0006349900000000 ] - [ 0.0089492900000000, 0.0066218700000000, -0.0067664300000000 ] - [ 0.0023517800000000, 0.0054965000000000, -0.0047428700000000 ] - [ 0.0003142300000000, 0.0002368800000000, -0.0007554200000000 ] - [ -0.0005877300000000, 0.0009870000000000, -0.0022664800000000 ] - [ -0.0003467800000000, -0.0006593400000000, 0.0011027300000000 ] - [ 0.0003391700000000, -0.0003916200000000, -0.0008887900000000 ] - [ -0.0043341700000000, 0.0018846800000000, -0.0016219900000000 ] - [ 0.0001353100000000, -0.0007730000000000, 0.0009039800000000 ] - [ 0.0000104600000000, 0.0006582400000000, -0.0013204400000000 ] - [ 0.0008665800000000, 0.0026556000000000, 0.0002852100000000 ] - [ -0.0001680400000000, -0.0001097800000000, 0.0011921900000000 ] - [ 0.0002568000000000, -0.0027909900000000, 0.0004323000000000 ] - [ 0.0004316300000000, -0.0022315400000000, -0.0018559600000000 ] - [ -0.0002704000000000, -0.0004638800000000, 0.0002888400000000 ] - [ -0.0000897500000000, -0.0003562800000000, 0.0009285300000000 ] - [ -0.0004409800000000, -0.0008607000000000, 0.0005840000000000 ] - [ -0.0001200000000000, 0.0000905800000000, 0.0000847600000000 ] - [ 0.0000691200000000, -0.0002651600000000, 0.0008300400000000 ] - [ 0.0003131100000000, 0.0004472800000000, -0.0002008400000000 ] - [ -0.0004919100000000, 0.0012210100000000, -0.0002072000000000 ] - [ -0.0002786600000000, -0.0000133200000000, -0.0004325200000000 ] - [ -0.0005832500000000, 0.0018897900000000, 0.0043786200000000 ] - [ 0.0001580100000000, 0.0000162500000000, 0.0000154700000000 ] - [ 0.0001446900000000, 0.0000463600000000, 0.0001666400000000 ] - [ -0.0001205700000000, -0.0006862000000000, -0.0007012800000000 ] - [ -0.0001491200000000, -0.0001584100000000, -0.0002066200000000 ] - [ -0.0003261800000000, -0.0005170100000000, -0.0002362900000000 ] - [ -0.0000056900000000, -0.0000120600000000, 0.0009617500000000 ] - [ 0.0000825800000000, -0.0003530500000000, -0.0001821900000000 ] - [ -0.0001345500000000, 0.0000214100000000, 0.0002893300000000 ] - [ 0.0009164000000000, -0.0039635300000000, 0.0013290400000000 ] - [ 0.0007991700000000, -0.0000559800000000, 0.0004072200000000 ] - [ 0.0000837800000000, 0.0005607500000000, 0.0012235600000000 ] - [ 0.0002523500000000, 0.0001234400000000, -0.0003477500000000 ] - [ 0.0003042500000000, 0.0002575700000000, 0.0005246400000000 ] - [ 0.0000148200000000, -0.0000089000000000, -0.0002172500000000 ] - [ -0.0001526500000000, 0.0001996800000000, 0.0001167500000000 ] - [ -0.0000974800000000, -0.0002156900000000, -0.0000279100000000 ] - [ -0.0005641200000000, -0.0005481100000000, 0.0003186700000000 ] - [ 0.0001877300000000, 0.0008367100000000, 0.0001096300000000 ] - [ 0.0005611700000000, -0.0006532500000000, 0.0001947000000000 ] - [ 0.0002229400000000, -0.0010989200000000, 0.0004635300000000 ] - [ -0.0008590500000000, -0.0004686000000000, -0.0001050400000000 ] - [ -0.0004139900000000, 0.0006903800000000, -0.0004203600000000 ] - [ 0.0001697600000000, -0.0011152400000000, -0.0008611000000000 ] - [ 0.0000740500000000, 0.0002916600000000, 0.0009150700000000 ] - [ -0.0000214300000000, 0.0003503000000000, 0.0000343200000000 ] - [ -0.0002859200000000, 0.0019238200000000, -0.0008932600000000 ] - [ -0.0000162400000000, 0.0000804600000000, 0.0009588200000000 ] - [ 0.0004784600000000, -0.0008030500000000, 0.0003563700000000 ] - [ 0.0001012200000000, 0.0002839400000000, -0.0000009400000000 ] - [ -0.0008708800000000, 0.0006449200000000, -0.0001356700000000 ] - [ -0.0005435400000000, 0.0011125100000000, 0.0000105300000000 ] - [ 0.0002737800000000, 0.0002854900000000, 0.0001892800000000 ] - [ 0.0001105100000000, -0.0001875900000000, -0.0000778700000000 ] - [ 0.0002970400000000, -0.0002083500000000, -0.0001180000000000 ] - [ -0.0003133000000000, 0.0005023700000000, -0.0001923300000000 ] - [ 0.0001046600000000, -0.0004255700000000, 0.0002578300000000 ] - [ 0.0007013800000000, -0.0007218100000000, 0.0004417900000000 ] - [ -0.0003378700000000, 0.0004091900000000, -0.0005653200000000 ] - [ -0.0003143000000000, -0.0000259200000000, 0.0000358900000000 ] - [ 0.0003685100000000, -0.0011300900000000, -0.0010969100000000 ] - [ -0.0003519800000000, -0.0002167300000000, -0.0000970400000000 ] - [ -0.0001012700000000, 0.0005009100000000, -0.0002628200000000 ] - [ 0.0000303600000000, 0.0000703000000000, -0.0001532400000000 ] - [ -0.0000876300000000, 0.0004680100000000, 0.0008116700000000 ] - [ 0.0001302400000000, 0.0002454000000000, -0.0003227400000000 ] - [ 0.0002632700000000, 0.0004863900000000, 0.0002204000000000 ]- atom: 80 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000226600000000, -0.0000361900000000, -0.0008067000000000 ] - [ 0.0050234500000000, 0.0024188000000000, 0.0004834200000000 ] - [ 0.0037781200000000, 0.0036711600000000, -0.0004771400000000 ] - [ -0.0007156200000000, 0.0000669600000000, -0.0001782600000000 ] - [ 0.0004608900000000, 0.0000297100000000, 0.0002358500000000 ] - [ 0.0026261600000000, -0.0009329900000000, 0.0003051600000000 ] - [ -0.0017856400000000, -0.0008253400000000, 0.0005559200000000 ] - [ 0.0031832100000000, -0.0000436300000000, 0.0006148100000000 ] - [ -0.0000699300000000, -0.0002397900000000, -0.0001776400000000 ] - [ 0.0005964100000000, 0.0006146400000000, -0.0000413400000000 ] - [ -0.0006953400000000, -0.0006775700000000, 0.0000663000000000 ] - [ 0.0003809400000000, 0.0000572900000000, -0.0002473200000000 ] - [ -0.0063742300000000, -0.0025482600000000, 0.0009729900000000 ] - [ -0.0066848000000000, 0.0035787300000000, 0.0002547600000000 ] - [ -0.0064914000000000, -0.0025279600000000, -0.0009917100000000 ] - [ 0.0006666700000000, -0.0001436900000000, -0.0008081300000000 ] - [ 0.0002918400000000, -0.0000264900000000, -0.0004995500000000 ] - [ 0.0006788600000000, -0.0006756500000000, -0.0000550100000000 ] - [ -0.0006125400000000, 0.0006167200000000, 0.0000803100000000 ] - [ -0.0004462800000000, 0.0000734500000000, -0.0004840900000000 ] - [ 0.0000736900000000, -0.0000245300000000, -0.0000463300000000 ] - [ 0.0000030900000000, -0.0000026900000000, 0.0003049200000000 ] - [ -0.0000024900000000, 0.0000015200000000, 0.0005531500000000 ] - [ 0.0000121300000000, -0.0000608200000000, 0.0005534300000000 ] - [ -0.0002747100000000, -0.0000150700000000, -0.0005046600000000 ] - [ 0.0003710700000000, 0.0007403100000000, 0.0002273700000000 ] - [ -0.0009203100000000, -0.0005514600000000, -0.0002011500000000 ] - [ -0.0000049500000000, 0.0000018100000000, 0.0000311900000000 ] - [ 0.0000298700000000, 0.0000018000000000, -0.0000416200000000 ] - [ -0.0000147200000000, -0.0000432300000000, 0.0003051900000000 ] - [ -0.0000491500000000, -0.0000243800000000, 0.0000271500000000 ] - [ 0.0004638100000000, 0.0000835400000000, -0.0004789800000000 ] - [ -0.0002068700000000, 0.0004660800000000, -0.0002464300000000 ] - [ 0.0008325600000000, -0.0013383900000000, -0.0002895400000000 ] - [ 0.0004175700000000, 0.0005910900000000, -0.0006174000000000 ] - [ 0.0656432200000000, -0.0029252100000000, 0.0156626600000000 ] - [ 0.0001581100000000, -0.0006446200000000, -0.0008820300000000 ] - [ -0.0001195300000000, -0.0004126900000000, -0.0001227000000000 ] - [ -0.0011903800000000, 0.0067343800000000, -0.0042337900000000 ] - [ -0.0001958600000000, 0.0005724200000000, -0.0008443900000000 ] - [ -0.0001745400000000, 0.0006257100000000, -0.0000246100000000 ] - [ -0.0010751200000000, 0.0006209900000000, -0.0010819000000000 ] - [ -0.0010532300000000, -0.0098642600000000, 0.0039096400000000 ] - [ -0.0002408100000000, 0.0067475600000000, 0.0031349200000000 ] - [ -0.0006833100000000, -0.0086123500000000, -0.0056027900000000 ] - [ 0.0709250500000000, -0.0048645100000000, -0.0179587100000000 ] - [ -0.0006688000000000, 0.0005244000000000, 0.0003768100000000 ] - [ -0.0007401400000000, -0.0002818400000000, -0.0007368100000000 ] - [ -0.0001139800000000, -0.0004737500000000, -0.0019048300000000 ] - [ 0.0007474300000000, -0.0010069800000000, 0.0000381700000000 ] - [ 0.0005079800000000, -0.0003460900000000, 0.0010459200000000 ] - [ 0.0007488300000000, 0.0009110300000000, 0.0000491700000000 ] - [ 0.0002523700000000, -0.0006796300000000, -0.0010276600000000 ] - [ 0.0005737200000000, 0.0008471800000000, -0.0004642400000000 ] - [ -0.0004757900000000, -0.0000074900000000, -0.0005550200000000 ] - [ -0.0001127500000000, 0.0005379600000000, -0.0007022900000000 ] - [ 0.0004337700000000, -0.0002443300000000, -0.0004779500000000 ] - [ -0.0005223100000000, -0.0002417900000000, -0.0006347300000000 ] - [ -0.0001637800000000, -0.0005377800000000, -0.0009017100000000 ] - [ 0.0004802700000000, -0.0000048600000000, -0.0005580500000000 ] - [ 0.0001907000000000, 0.0006808400000000, -0.0008247800000000 ] - [ -0.0007457300000000, -0.0009483900000000, 0.0000391500000000 ] - [ -0.0007474200000000, 0.0008521400000000, 0.0000498900000000 ] - [ -0.0000475600000000, 0.0009742300000000, -0.0003943000000000 ] - [ 0.0002740500000000, -0.0005060200000000, 0.0002890900000000 ] - [ 0.0060850400000000, 0.0130362700000000, 0.0112166500000000 ] - [ 0.0253003400000000, 0.0079302300000000, -0.0098732700000000 ] - [ -0.0002787300000000, -0.0012343000000000, 0.0006903500000000 ] - [ 0.0013749500000000, -0.0005586300000000, -0.0006636900000000 ] - [ 0.0000990500000000, -0.0001774400000000, 0.0010723400000000 ] - [ 0.0147003300000000, -0.0123145000000000, -0.0003263600000000 ] - [ -0.0002729800000000, -0.0004596600000000, 0.0015700800000000 ] - [ -0.0002533700000000, -0.0001945900000000, -0.0007975200000000 ] - [ 0.0003265900000000, -0.0002811300000000, -0.0000455400000000 ] - [ 0.0016773300000000, -0.0006219800000000, 0.0009384000000000 ] - [ -0.0002336600000000, -0.0003925700000000, 0.0012042600000000 ] - [ -0.0003446800000000, 0.0001031500000000, 0.0004418300000000 ] - [ -0.0016931900000000, -0.0010649800000000, -0.0010462400000000 ] - [ 0.0138826100000000, -0.0128451900000000, -0.0000232900000000 ] - [ -0.2515476000000000, -0.0053096900000000, 0.0032045500000000 ] - [ 0.0032231200000000, -0.0048492700000000, -0.0069421600000000 ] - [ -0.0004926500000000, -0.0005245500000000, -0.0009743000000000 ] - [ 0.0006126900000000, 0.0006529800000000, -0.0002292300000000 ] - [ 0.0001738300000000, 0.0017529800000000, 0.0007092800000000 ] - [ 0.0006432600000000, 0.0005627200000000, 0.0001798400000000 ] - [ 0.0031542300000000, 0.0011806300000000, 0.0019319800000000 ] - [ 0.0004781100000000, 0.0026821800000000, 0.0012138900000000 ] - [ 0.0220820700000000, 0.0002788100000000, -0.0002157900000000 ] - [ 0.0014475200000000, 0.0011852400000000, -0.0005522300000000 ] - [ -0.0004586500000000, -0.0004996000000000, 0.0007839300000000 ] - [ -0.0009513900000000, 0.0004401500000000, -0.0001985300000000 ] - [ 0.0001909800000000, 0.0005491700000000, 0.0002791900000000 ] - [ 0.0006729500000000, -0.0007287600000000, 0.0007298800000000 ] - [ 0.0011328200000000, -0.0007953300000000, -0.0003294900000000 ] - [ -0.0011293300000000, -0.0005073800000000, -0.0002806500000000 ] - [ -0.0003927100000000, 0.0002899200000000, -0.0000977800000000 ] - [ -0.0000569600000000, -0.0004867300000000, 0.0003105900000000 ] - [ 0.0260116000000000, 0.0088635400000000, 0.0119938100000000 ] - [ -0.0018635400000000, 0.0013036000000000, 0.0007337600000000 ] - [ -0.0002806800000000, 0.0006364100000000, 0.0002352300000000 ] - [ 0.0002507400000000, 0.0001064000000000, 0.0009754900000000 ] - [ 0.0006432700000000, -0.0022645200000000, -0.0007082000000000 ] - [ -0.0002595400000000, 0.0002023700000000, -0.0010387200000000 ] - [ -0.0006082200000000, 0.0003631400000000, -0.0001804300000000 ] - [ -0.0004584200000000, 0.0005937900000000, -0.0002180500000000 ] - [ 0.0002531200000000, -0.0003026100000000, 0.0008438900000000 ] - [ 0.0016746700000000, 0.0007407500000000, 0.0003170000000000 ] - [ 0.0002675400000000, -0.0003691400000000, -0.0001831500000000 ] - [ -0.0003560900000000, 0.0004826000000000, -0.0001884500000000 ] - [ -0.0016060100000000, 0.0002509400000000, -0.0001486100000000 ] - [ 0.0003892800000000, 0.0003618500000000, -0.0004922100000000 ] - [ -0.0002142300000000, -0.0003744500000000, -0.0008210000000000 ] - [ -0.0001171000000000, 0.0022871200000000, 0.0000688600000000 ] - [ 0.0004304600000000, -0.0009276500000000, -0.0004652300000000 ] - [ 0.0024366100000000, 0.0006031500000000, -0.0020841900000000 ] - [ 0.0030646500000000, -0.0041043700000000, 0.0065894700000000 ] - [ -0.0002982100000000, 0.0001123000000000, -0.0001971900000000 ] - [ -0.0000793500000000, 0.0005156300000000, 0.0006788200000000 ] - [ -0.0014328900000000, -0.0006442100000000, 0.0007547500000000 ] - [ 0.0066492700000000, 0.0143552200000000, -0.0108404800000000 ] - [ 0.0003034800000000, -0.0004603500000000, 0.0003010500000000 ] - [ -0.0002795100000000, -0.0005932000000000, 0.0002359800000000 ] - [ -0.0000830100000000, -0.0003308600000000, 0.0008624700000000 ] - [ -0.0005357000000000, -0.0006068100000000, 0.0002710900000000 ] - [ -0.0001452000000000, 0.0000283500000000, 0.0001373100000000 ] - [ 0.0000877600000000, -0.0003383000000000, 0.0008851800000000 ] - [ 0.0003212200000000, 0.0004567800000000, -0.0002010900000000 ] - [ -0.0004304100000000, 0.0009031100000000, 0.0004002100000000 ] - [ -0.0003840100000000, -0.0004026300000000, -0.0004193100000000 ] - [ 0.0002821600000000, -0.0002413900000000, -0.0000357000000000 ] - [ 0.0001597700000000, -0.0000311100000000, 0.0001380500000000 ] - [ 0.0001226100000000, 0.0001022500000000, 0.0001260000000000 ] - [ -0.0002583700000000, 0.0002804000000000, 0.0005130900000000 ] - [ -0.0001324300000000, -0.0002062700000000, -0.0001342600000000 ] - [ -0.0003021100000000, -0.0003942400000000, -0.0001713000000000 ] - [ -0.0000143300000000, 0.0000062800000000, 0.0009757900000000 ] - [ 0.0000926900000000, -0.0003487400000000, -0.0001402300000000 ] - [ -0.0001824500000000, 0.0000424300000000, 0.0001493200000000 ] - [ 0.0005156800000000, 0.0004436900000000, -0.0001553400000000 ] - [ 0.0005621300000000, 0.0006368100000000, 0.0002957200000000 ] - [ 0.0003801800000000, 0.0011947200000000, 0.0005936800000000 ] - [ 0.0003775900000000, 0.0002656900000000, -0.0000504800000000 ] - [ 0.0002843200000000, 0.0000760500000000, 0.0006052600000000 ] - [ 0.0000197900000000, 0.0000069300000000, -0.0001926400000000 ] - [ -0.0000975800000000, 0.0002423800000000, -0.0001238700000000 ] - [ -0.0000870900000000, -0.0002835900000000, -0.0001090200000000 ] - [ -0.0005696400000000, -0.0006861600000000, 0.0002173500000000 ] - [ 0.0002305200000000, 0.0004742000000000, 0.0002443600000000 ] - [ 0.0005753200000000, -0.0008175400000000, 0.0002427300000000 ] - [ 0.0012293500000000, -0.0006782200000000, -0.0001544900000000 ] - [ -0.0012269500000000, -0.0007162000000000, -0.0003555300000000 ] - [ -0.0004362300000000, 0.0003288200000000, -0.0001078900000000 ] - [ -0.0000211600000000, -0.0005605300000000, 0.0003450800000000 ] - [ 0.0000941100000000, 0.0003648200000000, 0.0008894500000000 ] - [ -0.0001504600000000, 0.0004853100000000, 0.0003052400000000 ] - [ -0.0002520000000000, 0.0006820400000000, 0.0002237700000000 ] - [ 0.0000058600000000, 0.0000176400000000, 0.0009759700000000 ] - [ 0.0004850200000000, -0.0008990200000000, 0.0004648500000000 ] - [ 0.0001037100000000, 0.0004215900000000, -0.0001552900000000 ] - [ -0.0005134100000000, 0.0004829300000000, -0.0003563200000000 ] - [ -0.0005567100000000, 0.0005050400000000, 0.0002709600000000 ] - [ 0.0003393200000000, -0.0001251700000000, 0.0007736200000000 ] - [ 0.0001550900000000, -0.0001701600000000, -0.0001561900000000 ] - [ 0.0003087000000000, -0.0003898700000000, -0.0001897700000000 ] - [ -0.0003147800000000, 0.0004611700000000, -0.0001825400000000 ] - [ 0.0000974100000000, -0.0005509100000000, 0.0002841500000000 ] - [ 0.0002588200000000, 0.0001543900000000, -0.0008728300000000 ] - [ -0.0003429800000000, 0.0002880500000000, -0.0006975200000000 ] - [ -0.0003131200000000, -0.0003276500000000, 0.0006801700000000 ] - [ 0.0002997700000000, -0.0002684600000000, -0.0005938300000000 ] - [ -0.0003413100000000, -0.0003057100000000, -0.0000933300000000 ] - [ -0.0000980600000000, 0.0003564200000000, -0.0001240100000000 ] - [ -0.0000067100000000, 0.0000191900000000, -0.0001923500000000 ] - [ -0.0000893400000000, 0.0003576900000000, 0.0008675400000000 ] - [ 0.0001201600000000, 0.0002065100000000, -0.0001456000000000 ] - [ 0.0002751700000000, 0.0005496900000000, 0.0002881200000000 ]- atom: 80 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001912900000000, -0.0010518200000000, -0.0004314800000000 ] - [ 0.0011707900000000, -0.0037633000000000, -0.0012131800000000 ] - [ -0.0001479000000000, -0.0024959300000000, 0.0012460300000000 ] - [ -0.0005482100000000, -0.0009533600000000, -0.0005502000000000 ] - [ -0.0000030400000000, 0.0005218400000000, -0.0003526200000000 ] - [ -0.0008815400000000, 0.0017827600000000, 0.0002989800000000 ] - [ 0.0007389800000000, 0.0016069500000000, 0.0005513500000000 ] - [ -0.0002298200000000, 0.0018551800000000, 0.0005394500000000 ] - [ -0.0002753900000000, -0.0008887100000000, -0.0005780800000000 ] - [ 0.0007387600000000, 0.0000684600000000, -0.0000251400000000 ] - [ -0.0005528900000000, -0.0012233100000000, 0.0000503900000000 ] - [ -0.0000811300000000, 0.0005501600000000, 0.0003352300000000 ] - [ 0.0015782600000000, -0.0006100500000000, -0.0014585800000000 ] - [ -0.0007189500000000, 0.0021516900000000, 0.0003063700000000 ] - [ 0.0014876300000000, -0.0006354800000000, 0.0014426100000000 ] - [ 0.0004618200000000, -0.0007898300000000, -0.0004033100000000 ] - [ 0.0003255500000000, -0.0002523000000000, -0.0004737100000000 ] - [ 0.0005911400000000, -0.0010519300000000, -0.0000606000000000 ] - [ -0.0007001900000000, 0.0002409600000000, 0.0000850300000000 ] - [ -0.0004126600000000, -0.0001533400000000, -0.0005120900000000 ] - [ -0.0000284500000000, -0.0006327100000000, -0.0000750500000000 ] - [ 0.0000276700000000, -0.0005103300000000, 0.0003052600000000 ] - [ -0.0000680900000000, -0.0005165100000000, 0.0005532300000000 ] - [ 0.0000719700000000, -0.0005493500000000, 0.0005534000000000 ] - [ -0.0003665300000000, -0.0002288100000000, -0.0005252500000000 ] - [ 0.0004995400000000, 0.0010200500000000, -0.0002507000000000 ] - [ -0.0007923800000000, -0.0002711800000000, 0.0002725000000000 ] - [ -0.0001069600000000, -0.0006057400000000, 0.0000608200000000 ] - [ 0.0000664900000000, -0.0004555800000000, -0.0000334500000000 ] - [ -0.0000404300000000, -0.0005224700000000, 0.0003053900000000 ] - [ -0.0000125500000000, -0.0004813200000000, 0.0000185300000000 ] - [ 0.0003713700000000, -0.0001300400000000, -0.0004606800000000 ] - [ -0.0002711000000000, -0.0013635100000000, -0.0014707200000000 ] - [ 0.0007317700000000, 0.0008059000000000, 0.0003154100000000 ] - [ 0.0003503800000000, -0.0012323300000000, 0.0006085000000000 ] - [ 0.0018783700000000, 0.0192900100000000, 0.0009140600000000 ] - [ 0.0002234300000000, -0.0016300500000000, -0.0007802300000000 ] - [ 0.0002577900000000, -0.0017473600000000, 0.0005321500000000 ] - [ -0.0000864100000000, -0.0008326900000000, 0.0013435500000000 ] - [ -0.0001309400000000, -0.0004114900000000, -0.0009453000000000 ] - [ 0.0007402000000000, 0.0009430900000000, -0.0017132000000000 ] - [ -0.0002199600000000, 0.0009405200000000, 0.0005995500000000 ] - [ 0.0003663800000000, -0.0049370600000000, 0.0019547400000000 ] - [ 0.0008717600000000, -0.0008589500000000, -0.0024592800000000 ] - [ 0.0007168400000000, -0.0037250100000000, -0.0036918600000000 ] - [ 0.0000823500000000, 0.0173686800000000, -0.0005737100000000 ] - [ -0.0007649800000000, 0.0026658700000000, -0.0002339300000000 ] - [ -0.0003638600000000, -0.0016291500000000, -0.0013954900000000 ] - [ -0.0001144200000000, -0.0010283100000000, -0.0017230300000000 ] - [ 0.0007183400000000, -0.0022271200000000, 0.0000032500000000 ] - [ 0.0005068900000000, -0.0008987100000000, 0.0008611600000000 ] - [ 0.0007623400000000, -0.0001552700000000, 0.0001214000000000 ] - [ 0.0000882900000000, 0.0001666500000000, -0.0017313800000000 ] - [ 0.0002331900000000, -0.0005842200000000, -0.0001047600000000 ] - [ -0.0004244500000000, -0.0009859800000000, -0.0002932600000000 ] - [ -0.0002655000000000, 0.0013805600000000, 0.0000012900000000 ] - [ 0.0004345600000000, -0.0011283200000000, -0.0003980100000000 ] - [ -0.0005210400000000, -0.0011246600000000, -0.0007137300000000 ] - [ -0.0002605100000000, -0.0015293600000000, -0.0005405600000000 ] - [ 0.0005315500000000, -0.0009839200000000, -0.0008203700000000 ] - [ 0.0000938000000000, -0.0003128900000000, -0.0011872600000000 ] - [ -0.0007325100000000, -0.0020144300000000, -0.0000338300000000 ] - [ -0.0007764900000000, -0.0003677700000000, 0.0000855000000000 ] - [ -0.0003898500000000, -0.0004628200000000, -0.0007560800000000 ] - [ 0.0002643100000000, 0.0002786700000000, 0.0005982600000000 ] - [ 0.0095344800000000, 0.0067019000000000, 0.0090015300000000 ] - [ 0.0046535800000000, -0.0038601900000000, -0.0011495300000000 ] - [ -0.0006174500000000, -0.0009413200000000, -0.0003467900000000 ] - [ -0.0007055000000000, -0.0005368300000000, 0.0008419900000000 ] - [ 0.0001308300000000, -0.0010330400000000, 0.0008433900000000 ] - [ -0.0118171500000000, 0.0036022900000000, 0.0002835900000000 ] - [ -0.0004434400000000, 0.0011213600000000, 0.0000750500000000 ] - [ -0.0002769700000000, 0.0002458900000000, -0.0007859800000000 ] - [ 0.0002784800000000, 0.0001288800000000, -0.0001341100000000 ] - [ -0.0003977000000000, -0.0006001400000000, -0.0005642900000000 ] - [ -0.0000345300000000, -0.0001259500000000, -0.0009729100000000 ] - [ -0.0003190000000000, 0.0006376700000000, 0.0005153700000000 ] - [ -0.0000708500000000, -0.0006876600000000, 0.0005288100000000 ] - [ -0.0126422200000000, 0.0028433700000000, -0.0006474900000000 ] - [ -0.0053111900000000, -0.0383660200000000, 0.0008201700000000 ] - [ -0.0023928400000000, -0.0016887900000000, 0.0034792000000000 ] - [ -0.0003421600000000, -0.0001787100000000, 0.0012593300000000 ] - [ 0.0008529200000000, 0.0009439100000000, -0.0000754400000000 ] - [ 0.0010966900000000, 0.0017384700000000, 0.0008627700000000 ] - [ 0.0002975300000000, 0.0008602700000000, 0.0012145700000000 ] - [ 0.0007816800000000, 0.0017227600000000, -0.0010947200000000 ] - [ 0.0003798100000000, 0.0021306000000000, 0.0016656300000000 ] - [ -0.0007133900000000, -0.0023652400000000, -0.0001853000000000 ] - [ 0.0001419600000000, -0.0002132200000000, 0.0010985500000000 ] - [ -0.0002653400000000, -0.0015184700000000, -0.0004545600000000 ] - [ -0.0000403100000000, 0.0004022600000000, -0.0003448500000000 ] - [ 0.0002087700000000, 0.0010065800000000, 0.0004280900000000 ] - [ 0.0006172300000000, -0.0006649300000000, 0.0007217200000000 ] - [ 0.0009931100000000, -0.0001000600000000, 0.0000335500000000 ] - [ -0.0008901000000000, -0.0002171800000000, -0.0004347400000000 ] - [ -0.0004408900000000, 0.0006994300000000, -0.0000104400000000 ] - [ -0.0000396300000000, -0.0000287500000000, 0.0001605600000000 ] - [ 0.0048710400000000, -0.0031326700000000, 0.0029429900000000 ] - [ -0.0004989800000000, 0.0008268400000000, 0.0002241100000000 ] - [ -0.0002900000000000, 0.0014213200000000, -0.0000744600000000 ] - [ -0.0001063800000000, -0.0004540800000000, 0.0009765700000000 ] - [ 0.0004719900000000, -0.0006748500000000, 0.0007941900000000 ] - [ -0.0000744600000000, -0.0008174900000000, 0.0001944600000000 ] - [ -0.0007509200000000, 0.0010589500000000, -0.0005433700000000 ] - [ -0.0005148600000000, 0.0006567100000000, -0.0002082300000000 ] - [ 0.0002783200000000, 0.0002344700000000, 0.0007691600000000 ] - [ 0.0003948500000000, -0.0006214000000000, -0.0013753400000000 ] - [ 0.0003170400000000, -0.0011702300000000, -0.0002882000000000 ] - [ -0.0003066700000000, -0.0003181800000000, -0.0000831900000000 ] - [ -0.0002514000000000, -0.0002044500000000, 0.0003651500000000 ] - [ 0.0003657400000000, 0.0008044600000000, -0.0005062600000000 ] - [ -0.0005746200000000, 0.0012268600000000, -0.0009684600000000 ] - [ -0.0002168400000000, 0.0017254000000000, -0.0003788700000000 ] - [ 0.0000653500000000, 0.0006748200000000, -0.0003249300000000 ] - [ 0.0000612900000000, 0.0011503000000000, 0.0009478200000000 ] - [ -0.0025692300000000, -0.0010120700000000, -0.0037707700000000 ] - [ 0.0001681900000000, -0.0004042800000000, -0.0001931600000000 ] - [ -0.0000467800000000, -0.0003377800000000, 0.0009127300000000 ] - [ 0.0001804900000000, -0.0002785100000000, -0.0008067200000000 ] - [ 0.0102083100000000, 0.0079288300000000, -0.0086017900000000 ] - [ 0.0002708000000000, -0.0016337800000000, -0.0001695000000000 ] - [ -0.0002681000000000, 0.0001277400000000, 0.0005532000000000 ] - [ -0.0000545700000000, 0.0000121400000000, 0.0008845600000000 ] - [ -0.0005183800000000, -0.0000634800000000, 0.0005774700000000 ] - [ -0.0000546900000000, 0.0004234300000000, 0.0000941800000000 ] - [ 0.0000510000000000, 0.0000710600000000, 0.0008997000000000 ] - [ 0.0003293600000000, 0.0008788400000000, -0.0002431800000000 ] - [ -0.0004635400000000, 0.0016267800000000, -0.0000495600000000 ] - [ -0.0003209600000000, -0.0002168000000000, -0.0008064500000000 ] - [ 0.0004121100000000, -0.0004265800000000, -0.0002815000000000 ] - [ 0.0002496100000000, 0.0003642700000000, 0.0001809300000000 ] - [ 0.0000388800000000, 0.0004788300000000, 0.0000285600000000 ] - [ -0.0003020800000000, 0.0001473000000000, 0.0001298400000000 ] - [ -0.0001214500000000, 0.0001010700000000, -0.0001278700000000 ] - [ -0.0002941800000000, 0.0000279300000000, -0.0001294800000000 ] - [ 0.0000061900000000, 0.0002793600000000, 0.0009758700000000 ] - [ 0.0000395300000000, 0.0001913300000000, 0.0000096800000000 ] - [ -0.0002656200000000, 0.0004198400000000, 0.0002464600000000 ] - [ 0.0006650100000000, 0.0007532000000000, -0.0000898600000000 ] - [ 0.0005878700000000, 0.0010159100000000, 0.0003875900000000 ] - [ 0.0003973300000000, 0.0017406200000000, 0.0002871100000000 ] - [ 0.0003840700000000, 0.0005559700000000, -0.0000981900000000 ] - [ 0.0003330000000000, 0.0007392700000000, 0.0010005700000000 ] - [ 0.0000210900000000, 0.0002450300000000, -0.0001927900000000 ] - [ -0.0001225100000000, 0.0005376200000000, -0.0000597000000000 ] - [ -0.0000382600000000, 0.0002353300000000, 0.0000113600000000 ] - [ -0.0005444300000000, -0.0003079500000000, 0.0001262600000000 ] - [ 0.0000414100000000, 0.0004517400000000, 0.0004418200000000 ] - [ 0.0005528800000000, -0.0000229200000000, 0.0002901600000000 ] - [ 0.0010165000000000, -0.0003352400000000, -0.0000772700000000 ] - [ -0.0010782600000000, -0.0004083000000000, -0.0004203200000000 ] - [ -0.0003076200000000, 0.0001438300000000, 0.0001395200000000 ] - [ -0.0002071900000000, -0.0005840800000000, 0.0001490000000000 ] - [ 0.0001223800000000, 0.0007080600000000, 0.0008677100000000 ] - [ -0.0001233000000000, 0.0008227200000000, 0.0003248900000000 ] - [ -0.0002834400000000, -0.0004936800000000, 0.0006968100000000 ] - [ -0.0000177300000000, 0.0003317000000000, 0.0009758400000000 ] - [ 0.0004523300000000, -0.0001750700000000, 0.0009148600000000 ] - [ 0.0001524500000000, 0.0009405000000000, -0.0002758600000000 ] - [ -0.0007259300000000, 0.0008244800000000, -0.0004326800000000 ] - [ -0.0005795100000000, 0.0012981700000000, 0.0002235400000000 ] - [ 0.0002950500000000, -0.0002586500000000, 0.0011592600000000 ] - [ 0.0001308100000000, 0.0001245400000000, -0.0002205500000000 ] - [ 0.0002896300000000, 0.0001119200000000, -0.0001225500000000 ] - [ -0.0003341400000000, 0.0009630600000000, -0.0002505100000000 ] - [ 0.0001253800000000, -0.0002131800000000, 0.0002650500000000 ] - [ 0.0003220600000000, 0.0003410800000000, -0.0004821300000000 ] - [ -0.0003624400000000, 0.0004837600000000, -0.0007275100000000 ] - [ -0.0002646500000000, 0.0003325100000000, 0.0002870400000000 ] - [ 0.0002801900000000, -0.0000723300000000, -0.0005619100000000 ] - [ -0.0003358100000000, -0.0000149300000000, -0.0000447800000000 ] - [ -0.0001511600000000, 0.0008960200000000, -0.0002735300000000 ] - [ 0.0000082000000000, 0.0002938400000000, -0.0001927600000000 ] - [ -0.0001256300000000, 0.0007670100000000, 0.0008524500000000 ] - [ 0.0001318000000000, 0.0005138600000000, -0.0001519200000000 ] - [ 0.0002861000000000, 0.0012699400000000, -0.0000283600000000 ]- atom: 80 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005339100000000, 0.0003097900000000, -0.0000337200000000 ] - [ 0.0004782500000000, -0.0021646400000000, 0.0022243600000000 ] - [ -0.0004782500000000, 0.0021646400000000, 0.0022243600000000 ] - [ -0.0005339100000000, -0.0003097900000000, -0.0000337200000000 ] - [ -0.0000407500000000, -0.0001423000000000, -0.0010984000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032759100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007089100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005803900000000 ] - [ -0.0003084500000000, -0.0004034000000000, -0.0000467200000000 ] - [ 0.0006524600000000, 0.0006002100000000, 0.0001455600000000 ] - [ -0.0006524600000000, -0.0006002100000000, 0.0001455600000000 ] - [ 0.0000407500000000, 0.0001423000000000, -0.0010984000000000 ] - [ 0.0001453500000000, -0.0017618600000000, 0.0016160700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019340700000000 ] - [ -0.0001453500000000, 0.0017618600000000, 0.0016160700000000 ] - [ 0.0003084500000000, 0.0004034000000000, -0.0000467200000000 ] - [ 0.0003843900000000, 0.0002527900000000, -0.0008309800000000 ] - [ 0.0006489000000000, -0.0006917700000000, -0.0001189200000000 ] - [ -0.0006489000000000, 0.0006917700000000, -0.0001189200000000 ] - [ -0.0003843900000000, -0.0002527900000000, -0.0008309800000000 ] - [ 0.0000215500000000, -0.0000877500000000, 0.0001305000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003377700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005776300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005242600000000 ] - [ -0.0002728500000000, -0.0003051800000000, -0.0008286300000000 ] - [ 0.0006471000000000, 0.0006255300000000, -0.0010752600000000 ] - [ -0.0006471000000000, -0.0006255300000000, -0.0010752600000000 ] - [ -0.0000215500000000, 0.0000877500000000, 0.0001305000000000 ] - [ 0.0000449300000000, -0.0000529700000000, -0.0001430000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002692700000000 ] - [ -0.0000449300000000, 0.0000529700000000, -0.0001430000000000 ] - [ 0.0002728500000000, 0.0003051800000000, -0.0008286300000000 ] - [ -0.0001314700000000, -0.0011936000000000, 0.0002804000000000 ] - [ 0.0005752400000000, -0.0013304900000000, -0.0028171700000000 ] - [ 0.0001314700000000, 0.0011936000000000, 0.0002804000000000 ] - [ 0.0230103200000000, 0.0009204900000000, 0.0322332100000000 ] - [ 0.0001978600000000, -0.0009068200000000, -0.0007247300000000 ] - [ 0.0004217200000000, 0.0008028200000000, -0.0000894900000000 ] - [ -0.0011357300000000, 0.0062936100000000, -0.0019536600000000 ] - [ -0.0001978600000000, 0.0009068200000000, -0.0007247300000000 ] - [ 0.0028199800000000, -0.0014282600000000, -0.0019764900000000 ] - [ -0.0028199800000000, 0.0014282600000000, -0.0019764900000000 ] - [ 0.0001359500000000, 0.0037244800000000, -0.0031641800000000 ] - [ 0.0011357300000000, -0.0062936100000000, -0.0019536600000000 ] - [ -0.0001359500000000, -0.0037244800000000, -0.0031641800000000 ] - [ -0.0230103200000000, -0.0009204900000000, 0.0322332100000000 ] - [ -0.0005752400000000, 0.0013304900000000, -0.0028171700000000 ] - [ -0.0004217200000000, -0.0008028200000000, -0.0000894900000000 ] - [ -0.0001855200000000, -0.0005997200000000, -0.0012593100000000 ] - [ 0.0007263700000000, -0.0009743900000000, 0.0001804200000000 ] - [ 0.0001855200000000, 0.0005997200000000, -0.0012593100000000 ] - [ 0.0007747900000000, 0.0008818400000000, -0.0000877300000000 ] - [ -0.0000862200000000, -0.0013946600000000, -0.0016911800000000 ] - [ 0.0005654700000000, 0.0008534000000000, -0.0010929500000000 ] - [ -0.0004993000000000, 0.0001539500000000, -0.0006499900000000 ] - [ 0.0000862200000000, 0.0013946600000000, -0.0016911800000000 ] - [ 0.0004490900000000, -0.0001913200000000, -0.0004480800000000 ] - [ -0.0004490900000000, 0.0001913200000000, -0.0004480800000000 ] - [ -0.0001360000000000, -0.0002725500000000, -0.0010319300000000 ] - [ 0.0004993000000000, -0.0001539500000000, -0.0006499900000000 ] - [ 0.0001360000000000, 0.0002725500000000, -0.0010319300000000 ] - [ -0.0007747900000000, -0.0008818400000000, -0.0000877300000000 ] - [ -0.0007263700000000, 0.0009743900000000, 0.0001804200000000 ] - [ -0.0005654700000000, -0.0008534000000000, -0.0010929500000000 ] - [ 0.0002821700000000, -0.0006572300000000, 0.0001537000000000 ] - [ 0.0065933300000000, 0.0066143000000000, 0.0027634400000000 ] - [ -0.0125114000000000, -0.0046597500000000, 0.0025312900000000 ] - [ -0.0003371500000000, -0.0024358200000000, -0.0003722300000000 ] - [ -0.0010311900000000, 0.0010691000000000, 0.0010586800000000 ] - [ 0.0002320200000000, -0.0005231400000000, 0.0023233000000000 ] - [ 0.0029957800000000, -0.0020450000000000, -0.0031891700000000 ] - [ -0.0003639400000000, -0.0004418200000000, 0.0016059400000000 ] - [ -0.0003493100000000, -0.0004163100000000, -0.0011378400000000 ] - [ 0.0003270300000000, -0.0003129200000000, -0.0002117700000000 ] - [ 0.0010311900000000, -0.0010691000000000, 0.0010586800000000 ] - [ 0.0026717400000000, -0.0047828400000000, 0.0031585500000000 ] - [ -0.0002869200000000, -0.0001650200000000, 0.0005448800000000 ] - [ 0.0004381300000000, 0.0004798000000000, 0.0005793700000000 ] - [ -0.0029957800000000, 0.0020450000000000, -0.0031891700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0746936000000000 ] - [ -0.0077053900000000, 0.0052932400000000, 0.0052388000000000 ] - [ -0.0026717400000000, 0.0047828400000000, 0.0031585500000000 ] - [ 0.0009197500000000, 0.0008162200000000, -0.0004004200000000 ] - [ 0.0006711500000000, 0.0013138500000000, 0.0001570000000000 ] - [ 0.0003371500000000, 0.0024358200000000, -0.0003722300000000 ] - [ -0.0006971600000000, -0.0008092600000000, -0.0009546000000000 ] - [ 0.0003342000000000, 0.0011272900000000, 0.0009984400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011840800000000 ] - [ -0.0000568400000000, 0.0009227200000000, 0.0002920300000000 ] - [ 0.0001068500000000, -0.0002241100000000, 0.0011446800000000 ] - [ -0.0006711500000000, -0.0013138500000000, 0.0001570000000000 ] - [ 0.0001126200000000, 0.0005311300000000, 0.0001857100000000 ] - [ 0.0005764400000000, -0.0005078400000000, 0.0006004700000000 ] - [ 0.0007744700000000, -0.0002805500000000, -0.0003841900000000 ] - [ -0.0009197500000000, -0.0008162200000000, -0.0004004200000000 ] - [ -0.0003270300000000, 0.0003129200000000, -0.0002117700000000 ] - [ -0.0001126200000000, -0.0005311300000000, 0.0001857100000000 ] - [ 0.0125114000000000, 0.0046597500000000, 0.0025312900000000 ] - [ 0.0002936200000000, -0.0001945200000000, -0.0003365400000000 ] - [ -0.0002821700000000, 0.0006572300000000, 0.0001537000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017582900000000 ] - [ 0.0003639400000000, 0.0004418200000000, 0.0016059400000000 ] - [ -0.0001068500000000, 0.0002241100000000, 0.0011446800000000 ] - [ -0.0007744700000000, 0.0002805500000000, -0.0003841900000000 ] - [ -0.0005764400000000, 0.0005078400000000, 0.0006004700000000 ] - [ 0.0002869200000000, 0.0001650200000000, 0.0005448800000000 ] - [ 0.0000568400000000, -0.0009227200000000, 0.0002920300000000 ] - [ 0.0003152000000000, -0.0000632300000000, 0.0006240200000000 ] - [ -0.0003152000000000, 0.0000632300000000, 0.0006240200000000 ] - [ -0.0002936200000000, 0.0001945200000000, -0.0003365400000000 ] - [ 0.0003493100000000, 0.0004163100000000, -0.0011378400000000 ] - [ -0.0001309100000000, 0.0000505200000000, -0.0014797800000000 ] - [ -0.0003342000000000, -0.0011272900000000, 0.0009984400000000 ] - [ 0.0001309100000000, -0.0000505200000000, -0.0014797800000000 ] - [ 0.0006971600000000, 0.0008092600000000, -0.0009546000000000 ] - [ 0.0077053900000000, -0.0052932400000000, 0.0052388000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013741200000000 ] - [ -0.0002320200000000, 0.0005231400000000, 0.0023233000000000 ] - [ -0.0004381300000000, -0.0004798000000000, 0.0005793700000000 ] - [ -0.0065933300000000, -0.0066143000000000, 0.0027634400000000 ] - [ 0.0002799100000000, -0.0005334600000000, 0.0009889000000000 ] - [ -0.0002703600000000, -0.0004701000000000, 0.0003759300000000 ] - [ -0.0000997500000000, -0.0003622000000000, 0.0009528900000000 ] - [ -0.0004209600000000, -0.0011448300000000, 0.0004862100000000 ] - [ -0.0001359300000000, 0.0000708200000000, 0.0001257300000000 ] - [ 0.0000692700000000, -0.0003375900000000, 0.0008077200000000 ] - [ 0.0003058600000000, 0.0004120000000000, -0.0001476700000000 ] - [ -0.0004684300000000, 0.0007161500000000, 0.0004193100000000 ] - [ -0.0003593100000000, -0.0003114800000000, 0.0000104800000000 ] - [ 0.0004100800000000, -0.0006688800000000, 0.0005716700000000 ] - [ 0.0001359300000000, -0.0000708200000000, 0.0001257300000000 ] - [ 0.0001561000000000, -0.0000278900000000, 0.0001442200000000 ] - [ -0.0002901100000000, -0.0000869900000000, 0.0005872300000000 ] - [ -0.0001337300000000, -0.0001547400000000, -0.0001397800000000 ] - [ -0.0003058600000000, -0.0004120000000000, -0.0001476700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010088000000000 ] - [ 0.0000969000000000, -0.0003192400000000, -0.0000831600000000 ] - [ -0.0001561000000000, 0.0000278900000000, 0.0001442200000000 ] - [ 0.0009183000000000, 0.0007820200000000, -0.0000820900000000 ] - [ 0.0005797200000000, 0.0007845400000000, 0.0003631700000000 ] - [ 0.0004209600000000, 0.0011448300000000, 0.0004862100000000 ] - [ 0.0004145900000000, 0.0002469800000000, 0.0000676400000000 ] - [ 0.0003145500000000, 0.0006757500000000, 0.0008592100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001465300000000 ] - [ -0.0001198000000000, 0.0002624300000000, -0.0001365500000000 ] - [ -0.0000944100000000, -0.0003849800000000, -0.0001705600000000 ] - [ -0.0005797200000000, -0.0007845400000000, 0.0003631700000000 ] - [ -0.0000973400000000, 0.0010429400000000, 0.0008880100000000 ] - [ 0.0005479900000000, -0.0004820700000000, 0.0001618200000000 ] - [ 0.0008228100000000, -0.0003519400000000, -0.0000769100000000 ] - [ -0.0009183000000000, -0.0007820200000000, -0.0000820900000000 ] - [ -0.0004100800000000, 0.0006688800000000, 0.0005716700000000 ] - [ 0.0000973400000000, -0.0010429400000000, 0.0008880100000000 ] - [ 0.0000997500000000, 0.0003622000000000, 0.0009528900000000 ] - [ -0.0001586800000000, 0.0004897200000000, 0.0003898400000000 ] - [ -0.0002799100000000, 0.0005334600000000, 0.0009889000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009157600000000 ] - [ 0.0004684300000000, -0.0007161500000000, 0.0004193100000000 ] - [ 0.0000944100000000, 0.0003849800000000, -0.0001705600000000 ] - [ -0.0008228100000000, 0.0003519400000000, -0.0000769100000000 ] - [ -0.0005479900000000, 0.0004820700000000, 0.0001618200000000 ] - [ 0.0002901100000000, 0.0000869900000000, 0.0005872300000000 ] - [ 0.0001198000000000, -0.0002624300000000, -0.0001365500000000 ] - [ 0.0003159800000000, -0.0004393400000000, -0.0002315200000000 ] - [ -0.0003159800000000, 0.0004393400000000, -0.0002315200000000 ] - [ 0.0001586800000000, -0.0004897200000000, 0.0003898400000000 ] - [ 0.0003593100000000, 0.0003114800000000, 0.0000104800000000 ] - [ -0.0003228700000000, 0.0002196800000000, -0.0002829100000000 ] - [ -0.0003145500000000, -0.0006757500000000, 0.0008592100000000 ] - [ 0.0003228700000000, -0.0002196800000000, -0.0002829100000000 ] - [ -0.0004145900000000, -0.0002469800000000, 0.0000676400000000 ] - [ -0.0000969000000000, 0.0003192400000000, -0.0000831600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002235500000000 ] - [ -0.0000692700000000, 0.0003375900000000, 0.0008077200000000 ] - [ 0.0001337300000000, 0.0001547400000000, -0.0001397800000000 ] - [ 0.0002703600000000, 0.0004701000000000, 0.0003759300000000 ]- atom: 80 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002069500000000, -0.0004094000000000, -0.0009512300000000 ] - [ 0.0008142600000000, 0.0008687800000000, -0.0021823700000000 ] - [ -0.0008142600000000, -0.0008687800000000, -0.0021823700000000 ] - [ -0.0002069500000000, 0.0004094000000000, -0.0009512300000000 ] - [ 0.0001184300000000, 0.0001182200000000, 0.0010799300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039050800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018158800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019213400000000 ] - [ -0.0004292000000000, 0.0002997400000000, -0.0009374800000000 ] - [ 0.0006386500000000, 0.0006945500000000, -0.0001170600000000 ] - [ -0.0006386500000000, -0.0006945500000000, -0.0001170600000000 ] - [ -0.0001184300000000, -0.0001182200000000, 0.0010799300000000 ] - [ -0.0000741100000000, 0.0017875800000000, -0.0016214200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025406800000000 ] - [ 0.0000741100000000, -0.0017875800000000, -0.0016214200000000 ] - [ 0.0004292000000000, -0.0002997400000000, -0.0009374800000000 ] - [ 0.0003542900000000, -0.0003521700000000, -0.0001556300000000 ] - [ 0.0006423400000000, -0.0006027700000000, 0.0001459600000000 ] - [ -0.0006423400000000, 0.0006027700000000, 0.0001459600000000 ] - [ -0.0003542900000000, 0.0003521700000000, -0.0001556300000000 ] - [ 0.0000552200000000, 0.0000625900000000, -0.0001455900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002728900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005283900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005814900000000 ] - [ -0.0004659600000000, 0.0002013900000000, -0.0001578600000000 ] - [ 0.0006430100000000, 0.0006708000000000, 0.0011013800000000 ] - [ -0.0006430100000000, -0.0006708000000000, 0.0011013800000000 ] - [ -0.0000552200000000, -0.0000625900000000, -0.0001455900000000 ] - [ 0.0000318400000000, 0.0000781300000000, 0.0001266200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003408500000000 ] - [ -0.0000318400000000, -0.0000781300000000, 0.0001266200000000 ] - [ 0.0004659600000000, -0.0002013900000000, -0.0001578600000000 ] - [ -0.0004894100000000, 0.0010641400000000, -0.0011313600000000 ] - [ 0.0009255600000000, -0.0005302200000000, 0.0029022400000000 ] - [ 0.0004894100000000, -0.0010641400000000, -0.0011313600000000 ] - [ -0.0218043100000000, 0.0009477100000000, -0.0317623700000000 ] - [ 0.0001546400000000, -0.0003106600000000, -0.0010048100000000 ] - [ 0.0002009200000000, -0.0009285300000000, -0.0007641900000000 ] - [ 0.0001767700000000, -0.0063161500000000, 0.0008442900000000 ] - [ -0.0001546400000000, 0.0003106600000000, -0.0010048100000000 ] - [ -0.0018378200000000, 0.0014258400000000, 0.0008628800000000 ] - [ 0.0018378200000000, -0.0014258400000000, 0.0008628800000000 ] - [ -0.0004927700000000, -0.0049169900000000, 0.0014201700000000 ] - [ -0.0001767700000000, 0.0063161500000000, 0.0008442900000000 ] - [ 0.0004927700000000, 0.0049169900000000, 0.0014201700000000 ] - [ 0.0218043100000000, -0.0009477100000000, -0.0317623700000000 ] - [ -0.0009255600000000, 0.0005302200000000, 0.0029022400000000 ] - [ -0.0002009200000000, 0.0009285300000000, -0.0007641900000000 ] - [ -0.0004357700000000, 0.0004719300000000, 0.0003901600000000 ] - [ 0.0007703100000000, -0.0008852900000000, -0.0000928000000000 ] - [ 0.0004357700000000, -0.0004719300000000, 0.0003901600000000 ] - [ 0.0007218300000000, 0.0009774400000000, 0.0001743100000000 ] - [ 0.0004345900000000, 0.0001732000000000, -0.0000383900000000 ] - [ 0.0000555900000000, -0.0009827700000000, 0.0002324500000000 ] - [ -0.0004576200000000, -0.0001549800000000, -0.0004615200000000 ] - [ -0.0004345900000000, -0.0001732000000000, -0.0000383900000000 ] - [ 0.0005075600000000, 0.0001884200000000, -0.0006630900000000 ] - [ -0.0005075600000000, -0.0001884200000000, -0.0006630900000000 ] - [ -0.0002166600000000, -0.0009428600000000, -0.0006973300000000 ] - [ 0.0004576200000000, 0.0001549800000000, -0.0004615200000000 ] - [ 0.0002166600000000, 0.0009428600000000, -0.0006973300000000 ] - [ -0.0007218300000000, -0.0009774400000000, 0.0001743100000000 ] - [ -0.0007703100000000, 0.0008852900000000, -0.0000928000000000 ] - [ -0.0000555900000000, 0.0009827700000000, 0.0002324500000000 ] - [ 0.0002720300000000, -0.0004801300000000, 0.0003711700000000 ] - [ -0.0072002500000000, -0.0077973300000000, -0.0022127400000000 ] - [ 0.0122115400000000, 0.0038877400000000, -0.0007222800000000 ] - [ -0.0005772900000000, 0.0006170600000000, 0.0012283600000000 ] - [ 0.0007441200000000, -0.0010205400000000, -0.0007924000000000 ] - [ -0.0000582000000000, -0.0001768100000000, -0.0005658300000000 ] - [ -0.0024021700000000, 0.0028962700000000, 0.0027990900000000 ] - [ -0.0005523400000000, 0.0022532400000000, -0.0007441600000000 ] - [ -0.0002942300000000, -0.0001442800000000, -0.0001590900000000 ] - [ 0.0003974300000000, -0.0002564200000000, 0.0000678700000000 ] - [ -0.0007441200000000, 0.0010205400000000, -0.0007924000000000 ] - [ -0.0023404900000000, 0.0047528200000000, -0.0028356800000000 ] - [ -0.0003099300000000, 0.0005680100000000, 0.0007387500000000 ] - [ -0.0007026800000000, -0.0008957400000000, -0.0008595300000000 ] - [ 0.0024021700000000, -0.0028962700000000, 0.0027990900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0756920400000000 ] - [ 0.0080232200000000, -0.0060685400000000, -0.0056304800000000 ] - [ 0.0023404900000000, -0.0047528200000000, -0.0028356800000000 ] - [ 0.0008236800000000, 0.0003340800000000, -0.0001104400000000 ] - [ 0.0004609200000000, 0.0000111300000000, 0.0003576100000000 ] - [ 0.0005772900000000, -0.0006170600000000, 0.0012283600000000 ] - [ 0.0014224100000000, 0.0013782800000000, 0.0008156300000000 ] - [ 0.0002628000000000, -0.0007132800000000, 0.0002900900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008243200000000 ] - [ -0.0002026300000000, -0.0005052100000000, -0.0005795800000000 ] - [ -0.0002982000000000, -0.0004762300000000, -0.0014031400000000 ] - [ -0.0004609200000000, -0.0000111300000000, 0.0003576100000000 ] - [ 0.0001373800000000, 0.0005049900000000, 0.0004017800000000 ] - [ 0.0005568400000000, -0.0008171500000000, -0.0000806900000000 ] - [ 0.0009668300000000, -0.0008688000000000, -0.0001269300000000 ] - [ -0.0008236800000000, -0.0003340800000000, -0.0001104400000000 ] - [ -0.0003974300000000, 0.0002564200000000, 0.0000678700000000 ] - [ -0.0001373800000000, -0.0005049900000000, 0.0004017800000000 ] - [ -0.0122115400000000, -0.0038877400000000, -0.0007222800000000 ] - [ -0.0005403500000000, 0.0012290400000000, 0.0009250000000000 ] - [ -0.0002720300000000, 0.0004801300000000, 0.0003711700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001808600000000 ] - [ 0.0005523400000000, -0.0022532400000000, -0.0007441600000000 ] - [ 0.0002982000000000, 0.0004762300000000, -0.0014031400000000 ] - [ -0.0009668300000000, 0.0008688000000000, -0.0001269300000000 ] - [ -0.0005568400000000, 0.0008171500000000, -0.0000806900000000 ] - [ 0.0003099300000000, -0.0005680100000000, 0.0007387500000000 ] - [ 0.0002026300000000, 0.0005052100000000, -0.0005795800000000 ] - [ 0.0003088400000000, -0.0007875000000000, -0.0009983400000000 ] - [ -0.0003088400000000, 0.0007875000000000, -0.0009983400000000 ] - [ 0.0005403500000000, -0.0012290400000000, 0.0009250000000000 ] - [ 0.0002942300000000, 0.0001442800000000, -0.0001590900000000 ] - [ -0.0005135500000000, 0.0005130900000000, 0.0001799700000000 ] - [ -0.0002628000000000, 0.0007132800000000, 0.0002900900000000 ] - [ 0.0005135500000000, -0.0005130900000000, 0.0001799700000000 ] - [ -0.0014224100000000, -0.0013782800000000, 0.0008156300000000 ] - [ -0.0080232200000000, 0.0060685400000000, -0.0056304800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017591600000000 ] - [ 0.0000582000000000, 0.0001768100000000, -0.0005658300000000 ] - [ 0.0007026800000000, 0.0008957400000000, -0.0008595300000000 ] - [ 0.0072002500000000, 0.0077973300000000, -0.0022127400000000 ] - [ 0.0002740400000000, -0.0006046600000000, -0.0004630200000000 ] - [ -0.0002837000000000, -0.0006662300000000, 0.0001498600000000 ] - [ -0.0000734100000000, -0.0003367400000000, 0.0008029200000000 ] - [ -0.0004940800000000, -0.0006645500000000, 0.0003796000000000 ] - [ -0.0001601300000000, -0.0000148200000000, 0.0001459700000000 ] - [ 0.0001037500000000, -0.0003615800000000, 0.0009477000000000 ] - [ 0.0003175900000000, 0.0004394400000000, -0.0002279200000000 ] - [ -0.0004471900000000, 0.0010909100000000, 0.0004444000000000 ] - [ -0.0002838300000000, -0.0002482000000000, -0.0013041700000000 ] - [ 0.0003134100000000, 0.0000973000000000, -0.0007124900000000 ] - [ 0.0001601300000000, 0.0000148200000000, 0.0001459700000000 ] - [ 0.0001401700000000, 0.0000833900000000, 0.0001279400000000 ] - [ -0.0003068500000000, 0.0004875000000000, 0.0006927600000000 ] - [ -0.0001235600000000, -0.0002592700000000, -0.0001411900000000 ] - [ -0.0003175900000000, -0.0004394400000000, -0.0002279200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009298900000000 ] - [ 0.0000935000000000, -0.0003829900000000, -0.0001752900000000 ] - [ -0.0001401700000000, -0.0000833900000000, 0.0001279400000000 ] - [ 0.0008226700000000, 0.0003672000000000, -0.0004259900000000 ] - [ 0.0005524900000000, 0.0005385300000000, 0.0001538300000000 ] - [ 0.0004940800000000, 0.0006645500000000, 0.0003796000000000 ] - [ 0.0003098800000000, 0.0003215200000000, -0.0002110800000000 ] - [ 0.0002824400000000, -0.0002704300000000, 0.0004237700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002307800000000 ] - [ -0.0001371400000000, 0.0001520500000000, -0.0001438500000000 ] - [ -0.0000960300000000, -0.0003173300000000, -0.0000880000000000 ] - [ -0.0005524900000000, -0.0005385300000000, 0.0001538300000000 ] - [ 0.0003449300000000, -0.0000039900000000, -0.0002976400000000 ] - [ 0.0005842600000000, -0.0008414600000000, 0.0003537400000000 ] - [ 0.0009214100000000, -0.0007983500000000, -0.0004312800000000 ] - [ -0.0008226700000000, -0.0003672000000000, -0.0004259900000000 ] - [ -0.0003134100000000, -0.0000973000000000, -0.0007124900000000 ] - [ -0.0003449300000000, 0.0000039900000000, -0.0002976400000000 ] - [ 0.0000734100000000, 0.0003367400000000, 0.0008029200000000 ] - [ -0.0000910700000000, 0.0005453400000000, 0.0001980000000000 ] - [ -0.0002740400000000, 0.0006046600000000, -0.0004630200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010227700000000 ] - [ 0.0004471900000000, -0.0010909100000000, 0.0004444000000000 ] - [ 0.0000960300000000, 0.0003173300000000, -0.0000880000000000 ] - [ -0.0009214100000000, 0.0007983500000000, -0.0004312800000000 ] - [ -0.0005842600000000, 0.0008414600000000, 0.0003537400000000 ] - [ 0.0003068500000000, -0.0004875000000000, 0.0006927600000000 ] - [ 0.0001371400000000, -0.0001520500000000, -0.0001438500000000 ] - [ 0.0003075900000000, -0.0004120900000000, -0.0001444000000000 ] - [ -0.0003075900000000, 0.0004120900000000, -0.0001444000000000 ] - [ 0.0000910700000000, -0.0005453400000000, 0.0001980000000000 ] - [ 0.0002838300000000, 0.0002482000000000, -0.0013041700000000 ] - [ -0.0003207500000000, 0.0003413700000000, -0.0010104900000000 ] - [ -0.0002824400000000, 0.0002704300000000, 0.0004237700000000 ] - [ 0.0003207500000000, -0.0003413700000000, -0.0010104900000000 ] - [ -0.0003098800000000, -0.0003215200000000, -0.0002110800000000 ] - [ -0.0000935000000000, 0.0003829900000000, -0.0001752900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001536900000000 ] - [ -0.0001037500000000, 0.0003615800000000, 0.0009477000000000 ] - [ 0.0001235600000000, 0.0002592700000000, -0.0001411900000000 ] - [ 0.0002837000000000, 0.0006662300000000, 0.0001498600000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003771000000000, 0.0001001100000000, -0.0004130900000000 ] - [ 0.0004399900000000, -0.0004321400000000, 0.0000090200000000 ] - [ 0.0002893100000000, 0.0005817800000000, 0.0004346300000000 ] - [ -0.0005036200000000, 0.0001121300000000, -0.0005146600000000 ] - [ -0.0009426200000000, -0.0001686200000000, -0.0016841100000000 ] - [ 0.0059876200000000, -0.0041147700000000, 0.0083359200000000 ] - [ -0.0006603800000000, -0.0006894100000000, 0.0022156000000000 ] - [ 0.0000568800000000, -0.0002906400000000, 0.0014707400000000 ] - [ -0.0002948100000000, 0.0000467300000000, -0.0004713700000000 ] - [ 0.0006362300000000, 0.0007217600000000, 0.0000183800000000 ] - [ -0.0006771100000000, -0.0005707700000000, 0.0000065600000000 ] - [ 0.0000228800000000, 0.0002225500000000, -0.0004740900000000 ] - [ 0.0000977700000000, -0.0002553200000000, 0.0000593100000000 ] - [ -0.0000007500000000, -0.0002833300000000, 0.0000379900000000 ] - [ -0.0007512300000000, 0.0003153900000000, -0.0001190000000000 ] - [ 0.0003590400000000, 0.0001262200000000, -0.0004594400000000 ] - [ 0.0003152500000000, -0.0000158600000000, -0.0004281800000000 ] - [ 0.0006649400000000, -0.0005710400000000, 0.0000072200000000 ] - [ -0.0006301200000000, 0.0007471800000000, 0.0000005500000000 ] - [ -0.0003605600000000, 0.0001304800000000, -0.0005328000000000 ] - [ 0.0000428000000000, 0.0000687300000000, 0.0000030100000000 ] - [ -0.0000024800000000, 0.0000878500000000, 0.0003015600000000 ] - [ 0.0000107400000000, 0.0000897000000000, 0.0005504900000000 ] - [ -0.0000120500000000, 0.0000986100000000, 0.0005541100000000 ] - [ -0.0003707000000000, 0.0000429700000000, -0.0005454100000000 ] - [ 0.0008259200000000, 0.0008714100000000, 0.0012425000000000 ] - [ -0.0006205800000000, -0.0007837000000000, 0.0001244800000000 ] - [ -0.0000213500000000, 0.0001059900000000, -0.0000242300000000 ] - [ 0.0000366000000000, 0.0001281500000000, -0.0000010900000000 ] - [ 0.0000055200000000, 0.0000982000000000, 0.0003075200000000 ] - [ -0.0000506200000000, 0.0001016100000000, -0.0000139300000000 ] - [ 0.0004755400000000, 0.0000535900000000, -0.0004481900000000 ] - [ -0.0003101000000000, -0.0000359100000000, -0.0004200100000000 ] - [ 0.0012233600000000, -0.0021224800000000, -0.0009630000000000 ] - [ 0.0002964000000000, 0.0003074200000000, -0.0005240700000000 ] - [ -0.0141858000000000, 0.0017237600000000, 0.0012207500000000 ] - [ 0.0001351500000000, -0.0003030600000000, -0.0009554800000000 ] - [ 0.0002966500000000, 0.0000159200000000, -0.0004769400000000 ] - [ -0.0029632300000000, 0.0011588700000000, -0.0017541100000000 ] - [ -0.0001868900000000, 0.0008088600000000, -0.0007950800000000 ] - [ 0.0003793100000000, -0.0000443300000000, -0.0005974800000000 ] - [ -0.0003793600000000, -0.0003101500000000, -0.0008610300000000 ] - [ 0.0002224200000000, -0.0004645800000000, -0.0009438600000000 ] - [ 0.0172783500000000, -0.0086325200000000, 0.0010666800000000 ] - [ -0.0021614700000000, -0.0013545300000000, -0.0010391000000000 ] - [ 0.0225444200000000, 0.0033339800000000, 0.0211552300000000 ] - [ -0.0010792500000000, 0.0003316400000000, 0.0001110100000000 ] - [ -0.0002881700000000, 0.0001811400000000, -0.0004912900000000 ] - [ -0.0005926900000000, 0.0000151600000000, -0.0006074600000000 ] - [ 0.0007543800000000, -0.0006972600000000, 0.0000609600000000 ] - [ 0.0002855500000000, 0.0003605400000000, -0.0004239300000000 ] - [ 0.0007448900000000, 0.0011405900000000, 0.0000308600000000 ] - [ 0.0001900700000000, -0.0003836900000000, -0.0009929900000000 ] - [ 0.0003890100000000, 0.0004301900000000, -0.0004457500000000 ] - [ -0.0004779400000000, 0.0001553300000000, -0.0005780300000000 ] - [ -0.0002268900000000, 0.0004991600000000, -0.0010311700000000 ] - [ 0.0004686400000000, 0.0001481400000000, -0.0005739800000000 ] - [ -0.0004681400000000, 0.0002115900000000, -0.0004958100000000 ] - [ -0.0001694000000000, -0.0004412700000000, -0.0008997400000000 ] - [ 0.0004730100000000, 0.0001722800000000, -0.0005384300000000 ] - [ 0.0001846000000000, 0.0007564500000000, -0.0008569200000000 ] - [ -0.0007530000000000, -0.0007107700000000, 0.0000450100000000 ] - [ -0.0007434400000000, 0.0011382000000000, 0.0000437400000000 ] - [ 0.0004686400000000, 0.0012124100000000, -0.0001018900000000 ] - [ 0.0002787400000000, -0.0007142600000000, 0.0001956400000000 ] - [ 0.0030346000000000, 0.0007279600000000, -0.0006744700000000 ] - [ 0.0015615000000000, -0.0006834200000000, 0.0019105700000000 ] - [ -0.0004013400000000, -0.0010067500000000, 0.0006278500000000 ] - [ 0.0023095200000000, -0.0084244400000000, -0.0050808600000000 ] - [ -0.0002940000000000, -0.0013465600000000, -0.0003550000000000 ] - [ -0.0028053200000000, -0.0013647500000000, 0.0047350400000000 ] - [ -0.0001242800000000, 0.0005097900000000, 0.0008220200000000 ] - [ -0.0003174700000000, -0.0003080700000000, -0.0006471000000000 ] - [ 0.0003653700000000, -0.0003422600000000, -0.0000849300000000 ] - [ 0.0020231600000000, 0.0016099300000000, 0.0008746700000000 ] - [ -0.0000630300000000, 0.0004397200000000, 0.0003455200000000 ] - [ -0.0003030800000000, 0.0000891100000000, 0.0005932700000000 ] - [ 0.0003765400000000, 0.0130628500000000, 0.0068052000000000 ] - [ 0.0017336300000000, 0.0003569200000000, -0.0002135600000000 ] - [ 0.0031098100000000, -0.0024714500000000, -0.0068299700000000 ] - [ -0.0597194800000000, 0.0095687700000000, -0.0395260000000000 ] - [ -0.0000437600000000, -0.0002317700000000, 0.0000919100000000 ] - [ 0.0008888900000000, 0.0005498900000000, -0.0002527800000000 ] - [ 0.0005295300000000, 0.0006289300000000, 0.0002455000000000 ] - [ 0.0004483100000000, 0.0009543300000000, 0.0004850700000000 ] - [ 0.0002217600000000, 0.0000635900000000, -0.0001253700000000 ] - [ 0.0003335200000000, 0.0004655700000000, 0.0007298400000000 ] - [ 0.0192106400000000, 0.0042620700000000, 0.0101471900000000 ] - [ -0.0001439900000000, 0.0002442300000000, -0.0001029800000000 ] - [ -0.0000641100000000, -0.0001186000000000, 0.0000074100000000 ] - [ -0.0005047500000000, -0.0005596000000000, 0.0002017500000000 ] - [ 0.0001572200000000, 0.0004304100000000, 0.0002950000000000 ] - [ 0.0013321100000000, -0.0007678800000000, 0.0003087400000000 ] - [ 0.0008433800000000, -0.0006060900000000, -0.0002562700000000 ] - [ -0.0009207500000000, -0.0006155000000000, -0.0002419000000000 ] - [ -0.0003774700000000, 0.0002069000000000, -0.0000426300000000 ] - [ -0.0001274400000000, -0.0005808400000000, 0.0002903000000000 ] - [ -0.0002063000000000, 0.0013257500000000, 0.0022778200000000 ] - [ 0.0000102300000000, 0.0006340300000000, 0.0000075900000000 ] - [ -0.0002732500000000, 0.0003997900000000, 0.0003458100000000 ] - [ -0.0003600200000000, 0.0001685300000000, 0.0007737800000000 ] - [ -0.0001703800000000, -0.0029599200000000, -0.0015877300000000 ] - [ 0.0001553500000000, 0.0004827300000000, -0.0000769000000000 ] - [ -0.0007959100000000, 0.0005303800000000, -0.0002329000000000 ] - [ -0.0006963900000000, 0.0005132900000000, 0.0002560700000000 ] - [ 0.0002579000000000, -0.0005473200000000, 0.0008265300000000 ] - [ 0.0001780500000000, -0.0000523200000000, 0.0001526200000000 ] - [ 0.0005071200000000, -0.0003165700000000, -0.0000855400000000 ] - [ -0.0012085600000000, 0.0008599900000000, -0.0001272800000000 ] - [ -0.0011096800000000, -0.0006670200000000, 0.0001006100000000 ] - [ 0.0003208300000000, 0.0002367200000000, -0.0006784000000000 ] - [ -0.0002629800000000, 0.0000783600000000, -0.0005729400000000 ] - [ -0.0002500000000000, -0.0003262900000000, 0.0006355400000000 ] - [ 0.0002686200000000, -0.0002356300000000, -0.0006969900000000 ] - [ -0.0001270000000000, 0.0001852900000000, -0.0002241500000000 ] - [ 0.0068235500000000, -0.0024328100000000, -0.0035798700000000 ] - [ 0.0001681100000000, 0.0001764800000000, -0.0000958000000000 ] - [ -0.0009409500000000, 0.0003303600000000, 0.0029397900000000 ] - [ 0.0014695800000000, -0.0017974400000000, 0.0000744400000000 ] - [ -0.0022390600000000, -0.0020889900000000, 0.0005361900000000 ] - [ 0.0003040100000000, -0.0003265800000000, 0.0003045100000000 ] - [ -0.0002788600000000, -0.0007027100000000, 0.0002152100000000 ] - [ -0.0000963600000000, -0.0004201400000000, 0.0008764000000000 ] - [ -0.0004556200000000, -0.0010687900000000, 0.0003534400000000 ] - [ -0.0001699200000000, -0.0000403300000000, 0.0001553800000000 ] - [ 0.0000941000000000, -0.0004131500000000, 0.0008708900000000 ] - [ 0.0003083900000000, 0.0003326900000000, -0.0001717200000000 ] - [ -0.0004519200000000, 0.0008119000000000, 0.0004851500000000 ] - [ -0.0003299300000000, -0.0003570800000000, -0.0005338100000000 ] - [ 0.0003911800000000, -0.0003066700000000, -0.0001283700000000 ] - [ 0.0001395500000000, -0.0000970100000000, 0.0001254500000000 ] - [ 0.0001725300000000, -0.0000497300000000, 0.0001482400000000 ] - [ -0.0002928200000000, 0.0002184800000000, 0.0006645900000000 ] - [ -0.0001258600000000, -0.0002596400000000, -0.0001275400000000 ] - [ -0.0003119800000000, -0.0005126600000000, -0.0001968400000000 ] - [ -0.0000022900000000, -0.0000550500000000, 0.0009781000000000 ] - [ 0.0001057000000000, -0.0004470100000000, -0.0001508900000000 ] - [ -0.0001420600000000, -0.0000994900000000, 0.0001229600000000 ] - [ 0.0006274800000000, 0.0008732300000000, -0.0002737900000000 ] - [ 0.0005231400000000, 0.0005940900000000, 0.0002510600000000 ] - [ 0.0004939100000000, 0.0008603100000000, 0.0004905200000000 ] - [ 0.0003556500000000, 0.0002153100000000, -0.0000783700000000 ] - [ 0.0002951000000000, 0.0001569200000000, 0.0006583500000000 ] - [ 0.0000015600000000, -0.0000484300000000, -0.0001913100000000 ] - [ -0.0001107900000000, 0.0001482000000000, -0.0001462500000000 ] - [ -0.0001051800000000, -0.0004656200000000, -0.0001683500000000 ] - [ -0.0005670700000000, -0.0007757200000000, 0.0002722100000000 ] - [ 0.0000974300000000, 0.0004698000000000, 0.0003182500000000 ] - [ 0.0005674500000000, -0.0007098400000000, 0.0002708900000000 ] - [ 0.0011359000000000, -0.0007394800000000, -0.0003058000000000 ] - [ -0.0008876600000000, -0.0007440100000000, -0.0002435100000000 ] - [ -0.0003654700000000, 0.0002784800000000, -0.0000126900000000 ] - [ -0.0001169400000000, -0.0004446100000000, 0.0003241700000000 ] - [ 0.0000837200000000, 0.0002780000000000, 0.0008794800000000 ] - [ -0.0001292900000000, 0.0004173800000000, 0.0002641600000000 ] - [ -0.0003931300000000, 0.0003750200000000, 0.0007637400000000 ] - [ 0.0000084500000000, -0.0000564300000000, 0.0009756500000000 ] - [ 0.0004511900000000, -0.0010150100000000, 0.0003917000000000 ] - [ 0.0000875500000000, 0.0002608400000000, -0.0001110100000000 ] - [ -0.0008544200000000, 0.0004511300000000, -0.0002466700000000 ] - [ -0.0005566100000000, 0.0005530200000000, 0.0002634600000000 ] - [ 0.0003070100000000, -0.0003492400000000, 0.0007125800000000 ] - [ 0.0001273900000000, -0.0002704400000000, -0.0001424800000000 ] - [ 0.0003120600000000, -0.0005097600000000, -0.0001973200000000 ] - [ -0.0003082200000000, 0.0003397400000000, -0.0001802200000000 ] - [ 0.0001358600000000, -0.0005998400000000, 0.0003256900000000 ] - [ 0.0001628100000000, 0.0001634800000000, -0.0011053200000000 ] - [ -0.0003127800000000, 0.0001984400000000, -0.0006124900000000 ] - [ -0.0002964700000000, -0.0002953200000000, 0.0006625100000000 ] - [ 0.0003633100000000, -0.0003422100000000, -0.0006737500000000 ] - [ -0.0003742100000000, -0.0003503500000000, -0.0000504100000000 ] - [ -0.0000863600000000, 0.0002581900000000, -0.0001068800000000 ] - [ -0.0000039500000000, -0.0000489400000000, -0.0001956600000000 ] - [ -0.0000849600000000, 0.0002766500000000, 0.0008863700000000 ] - [ 0.0001204000000000, 0.0001557400000000, -0.0001459800000000 ] - [ 0.0002772800000000, 0.0004314100000000, 0.0003226800000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003629000000000, -0.0002049200000000, -0.0005723000000000 ] - [ 0.0008425700000000, -0.0008693400000000, 0.0000183600000000 ] - [ -0.0015910600000000, 0.0007118000000000, -0.0004023900000000 ] - [ -0.0002320300000000, -0.0000146800000000, -0.0004682000000000 ] - [ 0.0010223200000000, 0.0001477500000000, 0.0016739900000000 ] - [ -0.0061488200000000, 0.0042632300000000, -0.0080905200000000 ] - [ 0.0007176200000000, 0.0007369800000000, -0.0011383500000000 ] - [ -0.0000601200000000, 0.0002959600000000, -0.0003737500000000 ] - [ -0.0004456200000000, -0.0001494100000000, -0.0005134100000000 ] - [ 0.0006558100000000, 0.0005707200000000, 0.0000096600000000 ] - [ -0.0006129700000000, -0.0007250100000000, 0.0000221200000000 ] - [ -0.0001015200000000, -0.0001939200000000, 0.0004623300000000 ] - [ -0.0000142400000000, 0.0002754900000000, -0.0000772200000000 ] - [ 0.0000062300000000, 0.0002878900000000, 0.0005658100000000 ] - [ 0.0006910100000000, -0.0003330000000000, 0.0001048000000000 ] - [ 0.0003796900000000, -0.0000266100000000, -0.0005255200000000 ] - [ 0.0004258800000000, -0.0000860300000000, -0.0005602600000000 ] - [ 0.0006257200000000, -0.0007259300000000, 0.0000205200000000 ] - [ -0.0006608800000000, 0.0005451400000000, 0.0000277200000000 ] - [ -0.0003779600000000, -0.0000307100000000, -0.0004520300000000 ] - [ 0.0000340400000000, -0.0000962300000000, -0.0000185700000000 ] - [ 0.0000030800000000, -0.0000900300000000, 0.0003090200000000 ] - [ -0.0000108100000000, -0.0000920300000000, 0.0005556900000000 ] - [ 0.0000126500000000, -0.0001012000000000, 0.0005522700000000 ] - [ -0.0003680600000000, -0.0001462800000000, -0.0004395200000000 ] - [ 0.0004720700000000, 0.0004355000000000, -0.0012173700000000 ] - [ -0.0006692500000000, -0.0005106800000000, -0.0000929200000000 ] - [ -0.0000551700000000, -0.0000826300000000, 0.0000095100000000 ] - [ 0.0000409400000000, -0.0001068100000000, -0.0000148700000000 ] - [ -0.0000050500000000, -0.0001008200000000, 0.0003031900000000 ] - [ -0.0000256400000000, -0.0001292500000000, -0.0000013200000000 ] - [ 0.0002602500000000, 0.0000479000000000, -0.0005405700000000 ] - [ -0.0003106600000000, -0.0000963300000000, -0.0004398200000000 ] - [ 0.0002749000000000, 0.0002688800000000, 0.0010493800000000 ] - [ 0.0003255700000000, -0.0001822400000000, -0.0003312600000000 ] - [ 0.0156555500000000, 0.0001534700000000, -0.0011559200000000 ] - [ 0.0002188700000000, -0.0009217500000000, -0.0007697400000000 ] - [ 0.0003267600000000, -0.0001414300000000, -0.0003803800000000 ] - [ 0.0020055500000000, -0.0011826400000000, 0.0006539600000000 ] - [ -0.0001652700000000, 0.0004033100000000, -0.0009346900000000 ] - [ 0.0005787100000000, 0.0000443900000000, -0.0005172600000000 ] - [ -0.0005817100000000, 0.0003177200000000, -0.0002479200000000 ] - [ -0.0005710900000000, -0.0007447300000000, -0.0007924200000000 ] - [ -0.0164501400000000, 0.0087587900000000, -0.0022465900000000 ] - [ 0.0025298200000000, 0.0026154200000000, -0.0006823200000000 ] - [ -0.0243550200000000, -0.0051229900000000, -0.0210893700000000 ] - [ -0.0004180000000000, 0.0015360600000000, -0.0000244900000000 ] - [ -0.0003339000000000, -0.0000598800000000, -0.0003677300000000 ] - [ -0.0000245600000000, -0.0001412200000000, -0.0002477500000000 ] - [ 0.0007425600000000, -0.0011682100000000, 0.0000264800000000 ] - [ 0.0003374900000000, -0.0002391900000000, -0.0004337100000000 ] - [ 0.0007521000000000, 0.0007135500000000, 0.0000566100000000 ] - [ 0.0001629600000000, -0.0008328100000000, -0.0007379000000000 ] - [ 0.0002314600000000, -0.0005650700000000, -0.0004105400000000 ] - [ -0.0004786200000000, -0.0001602200000000, -0.0005335000000000 ] - [ -0.0001246600000000, 0.0007233100000000, -0.0006973100000000 ] - [ 0.0004886400000000, -0.0001544800000000, -0.0005356000000000 ] - [ -0.0004886000000000, -0.0002148300000000, -0.0006164100000000 ] - [ -0.0001833200000000, -0.0007793900000000, -0.0008291000000000 ] - [ 0.0004846400000000, -0.0001751700000000, -0.0005737400000000 ] - [ 0.0001682900000000, 0.0004562700000000, -0.0008729200000000 ] - [ -0.0007430600000000, -0.0011543700000000, 0.0000418200000000 ] - [ -0.0007529000000000, 0.0007159000000000, 0.0000442900000000 ] - [ -0.0011131400000000, -0.0011358500000000, -0.0007662200000000 ] - [ 0.0002753600000000, -0.0004193700000000, 0.0003313700000000 ] - [ -0.0036239600000000, -0.0019144400000000, 0.0012031100000000 ] - [ -0.0017323100000000, -0.0000372200000000, -0.0001204000000000 ] - [ -0.0005140200000000, -0.0008024300000000, 0.0002343000000000 ] - [ -0.0025795500000000, 0.0083592500000000, 0.0052402900000000 ] - [ 0.0004826200000000, 0.0006644000000000, 0.0021134800000000 ] - [ 0.0033674400000000, 0.0021917000000000, -0.0051287200000000 ] - [ -0.0007914100000000, 0.0013073500000000, 0.0000357500000000 ] - [ -0.0003257700000000, -0.0002527500000000, -0.0006485000000000 ] - [ 0.0003593200000000, -0.0002248500000000, -0.0000584600000000 ] - [ -0.0017204800000000, -0.0016506900000000, -0.0006082200000000 ] - [ 0.0003637000000000, -0.0003909000000000, -0.0000728300000000 ] - [ -0.0002932200000000, 0.0003169500000000, 0.0006908700000000 ] - [ -0.0006740500000000, -0.0135952900000000, -0.0072000900000000 ] - [ -0.0023379800000000, -0.0011713200000000, -0.0001425600000000 ] - [ -0.0031783600000000, 0.0024911900000000, 0.0088847300000000 ] - [ 0.0602588500000000, -0.0106942300000000, 0.0396605000000000 ] - [ -0.0002523600000000, 0.0001774300000000, 0.0001851900000000 ] - [ 0.0008544500000000, 0.0006015100000000, -0.0002562200000000 ] - [ 0.0006033700000000, 0.0006958800000000, 0.0002715800000000 ] - [ 0.0004669900000000, 0.0008557900000000, 0.0003817200000000 ] - [ 0.0005033300000000, 0.0005077900000000, -0.0000176900000000 ] - [ 0.0002623700000000, -0.0000695800000000, 0.0005505800000000 ] - [ -0.0188421000000000, -0.0041451800000000, -0.0103305200000000 ] - [ -0.0001126800000000, 0.0001706900000000, -0.0001743900000000 ] - [ -0.0001258700000000, -0.0005882000000000, -0.0002662500000000 ] - [ -0.0006271500000000, -0.0007671500000000, 0.0003151500000000 ] - [ 0.0000922000000000, 0.0006068600000000, 0.0002925700000000 ] - [ -0.0002040300000000, -0.0005597900000000, 0.0002084400000000 ] - [ 0.0008992200000000, -0.0005421000000000, -0.0002523600000000 ] - [ -0.0008204200000000, -0.0005340000000000, -0.0002676300000000 ] - [ -0.0003458100000000, 0.0003638400000000, -0.0001022200000000 ] - [ -0.0001218600000000, -0.0004526500000000, 0.0002973000000000 ] - [ 0.0003696200000000, -0.0006469000000000, -0.0005530100000000 ] - [ -0.0002580700000000, 0.0003992700000000, 0.0005803900000000 ] - [ -0.0002806100000000, 0.0007416100000000, 0.0001774400000000 ] - [ 0.0003579700000000, -0.0001713500000000, 0.0011651600000000 ] - [ 0.0010796700000000, 0.0012158400000000, 0.0025266400000000 ] - [ 0.0000351000000000, 0.0002156700000000, -0.0001784400000000 ] - [ -0.0009476300000000, 0.0006198900000000, -0.0002769400000000 ] - [ -0.0004358500000000, 0.0008116000000000, 0.0002603400000000 ] - [ 0.0003405800000000, 0.0001519800000000, 0.0004517600000000 ] - [ 0.0000790500000000, -0.0003664400000000, -0.0004407600000000 ] - [ 0.0001174400000000, -0.0005386000000000, -0.0002903800000000 ] - [ 0.0005864100000000, -0.0000134100000000, -0.0002492800000000 ] - [ 0.0013738900000000, -0.0003798500000000, 0.0004862000000000 ] - [ 0.0003230900000000, 0.0003256000000000, -0.0006159900000000 ] - [ -0.0003800500000000, 0.0004847500000000, -0.0007243200000000 ] - [ -0.0003471600000000, -0.0000743800000000, 0.0006467100000000 ] - [ 0.0003747200000000, -0.0003214900000000, -0.0005974400000000 ] - [ -0.0006208300000000, -0.0007585100000000, 0.0000806000000000 ] - [ -0.0070657700000000, 0.0031845300000000, 0.0033228700000000 ] - [ -0.0001666100000000, -0.0001788500000000, -0.0002824100000000 ] - [ 0.0007637500000000, 0.0003676200000000, -0.0011917600000000 ] - [ -0.0012122100000000, 0.0022329900000000, -0.0003673900000000 ] - [ 0.0027974500000000, 0.0032694600000000, -0.0000415000000000 ] - [ 0.0002502400000000, -0.0008158800000000, 0.0002190700000000 ] - [ -0.0002745700000000, -0.0004310600000000, 0.0003120100000000 ] - [ -0.0000763000000000, -0.0002771900000000, 0.0008799300000000 ] - [ -0.0004597300000000, -0.0007351400000000, 0.0005127200000000 ] - [ -0.0001252000000000, 0.0000977200000000, 0.0001164500000000 ] - [ 0.0000790600000000, -0.0002845800000000, 0.0008856700000000 ] - [ 0.0003156300000000, 0.0005209600000000, -0.0002042100000000 ] - [ -0.0004636100000000, 0.0009967400000000, 0.0003785600000000 ] - [ -0.0003127300000000, -0.0002025800000000, -0.0007631500000000 ] - [ 0.0003344400000000, -0.0002644600000000, -0.0000140200000000 ] - [ 0.0001573900000000, 0.0000429700000000, 0.0001472100000000 ] - [ 0.0001235400000000, 0.0001074200000000, 0.0001235500000000 ] - [ -0.0003038300000000, 0.0001829300000000, 0.0006183200000000 ] - [ -0.0001310300000000, -0.0001532000000000, -0.0001530300000000 ] - [ -0.0003111000000000, -0.0003365600000000, -0.0001779000000000 ] - [ 0.0000028300000000, 0.0000566300000000, 0.0009608200000000 ] - [ 0.0000848400000000, -0.0002526700000000, -0.0001066800000000 ] - [ -0.0001540200000000, 0.0000457800000000, 0.0001496200000000 ] - [ 0.0011236000000000, 0.0002762800000000, -0.0002345900000000 ] - [ 0.0006104200000000, 0.0007328800000000, 0.0002661700000000 ] - [ 0.0004214800000000, 0.0009498800000000, 0.0003720400000000 ] - [ 0.0003693100000000, 0.0003554900000000, -0.0000641300000000 ] - [ 0.0003023800000000, 0.0002483800000000, 0.0006254000000000 ] - [ -0.0000012500000000, 0.0000498100000000, -0.0001858200000000 ] - [ -0.0001464200000000, 0.0002679000000000, -0.0001345000000000 ] - [ -0.0000844200000000, -0.0002339100000000, -0.0000891700000000 ] - [ -0.0005645900000000, -0.0005453200000000, 0.0002439700000000 ] - [ 0.0001527000000000, 0.0005660400000000, 0.0002706400000000 ] - [ 0.0005650500000000, -0.0006107300000000, 0.0002457300000000 ] - [ 0.0005998000000000, -0.0004041900000000, -0.0002017200000000 ] - [ -0.0008537100000000, -0.0004031700000000, -0.0002658600000000 ] - [ -0.0003578400000000, 0.0002901800000000, -0.0001305000000000 ] - [ -0.0001341400000000, -0.0005932700000000, 0.0002655300000000 ] - [ 0.0000900400000000, 0.0004230400000000, 0.0008765200000000 ] - [ -0.0001198500000000, 0.0006210800000000, 0.0003250000000000 ] - [ -0.0001605900000000, 0.0007597400000000, -0.0002372800000000 ] - [ -0.0000082700000000, 0.0000577200000000, 0.0009633500000000 ] - [ 0.0004647200000000, -0.0007894000000000, 0.0004746900000000 ] - [ 0.0001034800000000, 0.0004441200000000, -0.0001482900000000 ] - [ -0.0008888100000000, 0.0007011600000000, -0.0002628400000000 ] - [ -0.0005755100000000, 0.0007718500000000, 0.0002532100000000 ] - [ 0.0002903500000000, -0.0000524600000000, 0.0005704500000000 ] - [ 0.0001299500000000, -0.0001421400000000, -0.0001381200000000 ] - [ 0.0003120400000000, -0.0003397000000000, -0.0001776100000000 ] - [ -0.0003150000000000, 0.0005139400000000, -0.0001959300000000 ] - [ 0.0001144100000000, -0.0004338100000000, 0.0002622300000000 ] - [ 0.0004850000000000, 0.0004028900000000, -0.0001749300000000 ] - [ -0.0003305900000000, 0.0003638900000000, -0.0006825700000000 ] - [ -0.0003003100000000, -0.0001069700000000, 0.0006209600000000 ] - [ 0.0002802700000000, -0.0002179000000000, -0.0006199000000000 ] - [ -0.0003494300000000, -0.0002170800000000, -0.0000933400000000 ] - [ -0.0001037300000000, 0.0004462800000000, -0.0001517600000000 ] - [ 0.0000043200000000, 0.0000499900000000, -0.0001812400000000 ] - [ -0.0000878600000000, 0.0004241900000000, 0.0008693600000000 ] - [ 0.0001374600000000, 0.0002597100000000, -0.0001340000000000 ] - [ 0.0002770800000000, 0.0007091200000000, 0.0002016900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000278400000000, -0.0017568600000000, -0.0007584000000000 ] - [ 0.0020193000000000, -0.0019610300000000, -0.0023163600000000 ] - [ -0.0014368700000000, 0.0020769800000000, 0.0013791900000000 ] - [ 0.0000406200000000, -0.0011821600000000, 0.0005466200000000 ] - [ -0.0011302100000000, 0.0015548700000000, -0.0027161200000000 ] - [ -0.0060413400000000, 0.0072523800000000, -0.0029567400000000 ] - [ 0.0002376200000000, 0.0059392700000000, 0.0032537200000000 ] - [ -0.0002925400000000, 0.0013547400000000, -0.0013222800000000 ] - [ -0.0005972500000000, -0.0011227300000000, 0.0003175200000000 ] - [ 0.0007732500000000, -0.0003239800000000, -0.0000965900000000 ] - [ -0.0004789900000000, -0.0012845300000000, 0.0002373000000000 ] - [ -0.0003002800000000, 0.0006446400000000, 0.0012208100000000 ] - [ -0.0010671100000000, -0.0007418000000000, -0.0024366300000000 ] - [ 0.0001027400000000, 0.0014086700000000, -0.0011262300000000 ] - [ 0.0011167400000000, 0.0022920700000000, 0.0012045900000000 ] - [ 0.0005483300000000, -0.0018557100000000, -0.0009418400000000 ] - [ 0.0007237700000000, -0.0002364400000000, -0.0015919700000000 ] - [ 0.0004131300000000, -0.0016734600000000, -0.0002318200000000 ] - [ -0.0007646900000000, -0.0001686100000000, 0.0001740400000000 ] - [ -0.0004461700000000, -0.0003575900000000, -0.0003800800000000 ] - [ -0.0000488000000000, -0.0010407900000000, -0.0001884600000000 ] - [ 0.0000303800000000, -0.0008469900000000, 0.0002857700000000 ] - [ -0.0001062200000000, -0.0008559600000000, 0.0005424800000000 ] - [ 0.0001431800000000, -0.0010880100000000, 0.0005721800000000 ] - [ -0.0003796800000000, -0.0004306100000000, -0.0003793800000000 ] - [ 0.0016147500000000, 0.0026294100000000, -0.0030115600000000 ] - [ -0.0008448000000000, -0.0001696500000000, 0.0008294100000000 ] - [ -0.0000889300000000, -0.0007220000000000, 0.0002920400000000 ] - [ 0.0001688200000000, -0.0013539200000000, -0.0002733900000000 ] - [ -0.0000774200000000, -0.0010602900000000, 0.0003300100000000 ] - [ 0.0000272800000000, -0.0009590900000000, 0.0000727000000000 ] - [ -0.0004546100000000, -0.0001908200000000, -0.0017300500000000 ] - [ -0.0002755200000000, -0.0015880200000000, -0.0017822200000000 ] - [ 0.0005938400000000, 0.0038392900000000, 0.0001268100000000 ] - [ 0.0002071500000000, 0.0003960400000000, 0.0003907500000000 ] - [ 0.0015512900000000, 0.0070716200000000, -0.0008395600000000 ] - [ 0.0004879800000000, -0.0036198800000000, 0.0003581300000000 ] - [ 0.0003255600000000, -0.0000818400000000, 0.0000449000000000 ] - [ 0.0012093400000000, -0.0015917100000000, 0.0008138500000000 ] - [ -0.0000224400000000, -0.0014739000000000, -0.0011780200000000 ] - [ 0.0006155300000000, 0.0011073100000000, -0.0016017400000000 ] - [ -0.0006903300000000, 0.0019512100000000, -0.0011336400000000 ] - [ -0.0024696100000000, -0.0124435900000000, 0.0086896400000000 ] - [ -0.0033992100000000, 0.0321900800000000, -0.0127191000000000 ] - [ 0.0002091000000000, 0.0050565400000000, 0.0012411400000000 ] - [ -0.0018134500000000, 0.0335666100000000, 0.0116302000000000 ] - [ -0.0007893400000000, 0.0049609500000000, -0.0016199300000000 ] - [ -0.0005282400000000, -0.0021246300000000, -0.0017759800000000 ] - [ 0.0006735200000000, -0.0019767400000000, -0.0002045400000000 ] - [ 0.0006610400000000, -0.0032953400000000, 0.0000616500000000 ] - [ 0.0006409000000000, -0.0019470400000000, 0.0016860500000000 ] - [ 0.0008049700000000, -0.0011614100000000, 0.0000092700000000 ] - [ 0.0001083000000000, 0.0001068200000000, -0.0017599500000000 ] - [ 0.0001158500000000, -0.0016455800000000, 0.0004223400000000 ] - [ -0.0005056000000000, -0.0013362300000000, -0.0006015100000000 ] - [ -0.0003865000000000, 0.0021043500000000, -0.0014362100000000 ] - [ 0.0004148800000000, -0.0022210700000000, 0.0001496800000000 ] - [ -0.0005777000000000, -0.0021456200000000, -0.0008998600000000 ] - [ -0.0002253900000000, -0.0017550400000000, -0.0009841900000000 ] - [ 0.0005745400000000, -0.0017217300000000, -0.0009739000000000 ] - [ 0.0000476700000000, -0.0009391900000000, -0.0013182200000000 ] - [ -0.0007332000000000, -0.0030277200000000, -0.0001812000000000 ] - [ -0.0007627500000000, -0.0013347500000000, 0.0002682600000000 ] - [ -0.0049497800000000, -0.0116559800000000, -0.0028735200000000 ] - [ 0.0002432100000000, 0.0010374400000000, 0.0009161800000000 ] - [ 0.0007246700000000, -0.0065695600000000, -0.0028126900000000 ] - [ -0.0011297700000000, -0.0029600700000000, 0.0022717200000000 ] - [ -0.0004336100000000, -0.0020362700000000, -0.0002567600000000 ] - [ -0.0067121800000000, -0.0031062400000000, 0.0051443100000000 ] - [ 0.0018222700000000, -0.0024068800000000, 0.0026943300000000 ] - [ -0.0024526100000000, -0.0009078100000000, -0.0098467900000000 ] - [ -0.0005796500000000, 0.0020450000000000, -0.0005253000000000 ] - [ -0.0002981100000000, -0.0001103400000000, -0.0013338500000000 ] - [ 0.0002651300000000, 0.0004379900000000, -0.0000438900000000 ] - [ 0.0000992500000000, -0.0002948600000000, -0.0009552300000000 ] - [ 0.0007745700000000, -0.0014337600000000, 0.0006748100000000 ] - [ -0.0004472100000000, 0.0013025300000000, 0.0004842400000000 ] - [ 0.0079506100000000, 0.0013387500000000, 0.0104749100000000 ] - [ -0.0005414700000000, -0.0002355700000000, 0.0003558300000000 ] - [ -0.0044736400000000, -0.0013753400000000, 0.0066388600000000 ] - [ 0.0099347500000000, -0.1070497000000000, -0.0415944900000000 ] - [ -0.0002411300000000, -0.0002025300000000, 0.0008287500000000 ] - [ 0.0007361400000000, 0.0011192000000000, 0.0000106800000000 ] - [ 0.0008631000000000, 0.0021032400000000, 0.0012128100000000 ] - [ 0.0003537500000000, 0.0008247000000000, 0.0011720800000000 ] - [ 0.0023407200000000, 0.0027661900000000, -0.0001118000000000 ] - [ 0.0000549700000000, -0.0002869800000000, 0.0001733700000000 ] - [ 0.0093946500000000, -0.0023133400000000, 0.0040578900000000 ] - [ 0.0000972600000000, 0.0001604000000000, 0.0005593200000000 ] - [ -0.0003309300000000, -0.0015812700000000, 0.0006876500000000 ] - [ -0.0005027800000000, -0.0011690300000000, 0.0000986200000000 ] - [ -0.0000559900000000, 0.0012385200000000, 0.0000842000000000 ] - [ -0.0000421100000000, -0.0002097400000000, 0.0004320100000000 ] - [ 0.0010611000000000, -0.0000133700000000, 0.0001234100000000 ] - [ -0.0007799000000000, -0.0005779800000000, -0.0004189300000000 ] - [ -0.0002305900000000, 0.0009657300000000, -0.0005344400000000 ] - [ -0.0000107100000000, 0.0003316000000000, 0.0001583300000000 ] - [ 0.0007910400000000, -0.0003397300000000, 0.0050312500000000 ] - [ -0.0021834800000000, 0.0037247700000000, -0.0000604200000000 ] - [ -0.0003168300000000, 0.0022912700000000, -0.0006492000000000 ] - [ 0.0001471200000000, -0.0011642700000000, 0.0010993200000000 ] - [ -0.0012571700000000, 0.0165559800000000, 0.0176584600000000 ] - [ -0.0000367500000000, -0.0010235800000000, 0.0006060600000000 ] - [ -0.0009278700000000, 0.0005094500000000, -0.0004370400000000 ] - [ -0.0004840100000000, 0.0008721900000000, -0.0004405600000000 ] - [ 0.0004039700000000, 0.0025371600000000, -0.0008856400000000 ] - [ -0.0001983600000000, -0.0012544800000000, 0.0001851500000000 ] - [ 0.0002417500000000, -0.0020064100000000, -0.0004683700000000 ] - [ -0.0003136900000000, -0.0027243100000000, 0.0012248500000000 ] - [ 0.0029943000000000, -0.0008820300000000, -0.0014024200000000 ] - [ 0.0004737400000000, 0.0010644500000000, -0.0001155800000000 ] - [ -0.0002593500000000, 0.0004096700000000, -0.0018016000000000 ] - [ -0.0000516600000000, 0.0027007800000000, -0.0010259300000000 ] - [ 0.0002453800000000, 0.0004568000000000, 0.0003155500000000 ] - [ -0.0027177100000000, -0.0006916700000000, -0.0023658500000000 ] - [ -0.0029015100000000, 0.0010429000000000, -0.0000379100000000 ] - [ 0.0001752500000000, -0.0009398900000000, 0.0000463800000000 ] - [ 0.0006992400000000, -0.0016115300000000, -0.0009468300000000 ] - [ -0.0008366300000000, 0.0020957600000000, -0.0012499100000000 ] - [ 0.0035252000000000, 0.0256633200000000, 0.0082024700000000 ] - [ 0.0002498400000000, -0.0022620100000000, 0.0001566100000000 ] - [ -0.0002679400000000, 0.0006776800000000, 0.0007813400000000 ] - [ -0.0000198500000000, 0.0003661900000000, 0.0008869500000000 ] - [ -0.0005539900000000, 0.0007080400000000, 0.0007612200000000 ] - [ 0.0000109900000000, 0.0007074400000000, 0.0000516600000000 ] - [ 0.0000296900000000, 0.0003559800000000, 0.0009348000000000 ] - [ 0.0003475500000000, 0.0013070600000000, -0.0002907500000000 ] - [ -0.0004689100000000, 0.0015371500000000, 0.0000197600000000 ] - [ -0.0003029400000000, -0.0000597700000000, -0.0011305300000000 ] - [ 0.0008762600000000, -0.0012728800000000, 0.0005392700000000 ] - [ 0.0002934000000000, 0.0005782000000000, 0.0003095700000000 ] - [ -0.0000638200000000, 0.0008904000000000, -0.0000616300000000 ] - [ -0.0003367000000000, 0.0000307700000000, 0.0008096400000000 ] - [ -0.0001152300000000, 0.0003266100000000, -0.0001358900000000 ] - [ -0.0002885800000000, 0.0005104400000000, 0.0000034300000000 ] - [ 0.0000038400000000, 0.0005424000000000, 0.0010058800000000 ] - [ 0.0000000300000000, 0.0006322600000000, 0.0001430400000000 ] - [ -0.0003446500000000, 0.0008415000000000, 0.0002518200000000 ] - [ 0.0026488000000000, 0.0018733700000000, -0.0000634900000000 ] - [ 0.0007345000000000, 0.0021070900000000, 0.0005502300000000 ] - [ 0.0003269700000000, 0.0024855800000000, -0.0004100200000000 ] - [ 0.0005362900000000, 0.0009707000000000, 0.0003410900000000 ] - [ 0.0003417800000000, 0.0009796300000000, 0.0010833700000000 ] - [ 0.0000168700000000, 0.0004742300000000, -0.0001499700000000 ] - [ -0.0001992200000000, 0.0009433900000000, -0.0002044300000000 ] - [ 0.0000187000000000, 0.0007537600000000, 0.0001221200000000 ] - [ -0.0005180300000000, 0.0001213900000000, -0.0000273000000000 ] - [ 0.0000914900000000, 0.0004317000000000, 0.0003783300000000 ] - [ 0.0005476000000000, 0.0002118100000000, 0.0002924500000000 ] - [ -0.0009794300000000, 0.0015885500000000, 0.0002502900000000 ] - [ -0.0010888700000000, -0.0000417900000000, -0.0005952300000000 ] - [ -0.0002881600000000, 0.0000616300000000, 0.0000972600000000 ] - [ -0.0003714400000000, -0.0013354300000000, 0.0010857600000000 ] - [ 0.0001782300000000, 0.0011054800000000, 0.0009207800000000 ] - [ -0.0001726000000000, 0.0014480600000000, 0.0007875000000000 ] - [ -0.0002629700000000, -0.0005502300000000, 0.0005273500000000 ] - [ -0.0000687100000000, 0.0005865600000000, 0.0009408700000000 ] - [ 0.0004612700000000, 0.0003078900000000, 0.0012333600000000 ] - [ 0.0001884500000000, 0.0015426300000000, -0.0005471500000000 ] - [ -0.0007078000000000, 0.0011609600000000, -0.0005973600000000 ] - [ -0.0005859500000000, 0.0010632300000000, 0.0002352200000000 ] - [ 0.0002986300000000, -0.0000939200000000, 0.0012664200000000 ] - [ 0.0001313300000000, 0.0004289900000000, -0.0002731400000000 ] - [ 0.0003059000000000, 0.0004099300000000, -0.0001622600000000 ] - [ -0.0003428500000000, 0.0013682200000000, -0.0003013300000000 ] - [ 0.0000912500000000, 0.0000572600000000, 0.0001755400000000 ] - [ 0.0011461100000000, 0.0015734100000000, 0.0035633500000000 ] - [ -0.0004052100000000, 0.0007449400000000, -0.0009079200000000 ] - [ -0.0003239400000000, -0.0001279200000000, 0.0009715100000000 ] - [ 0.0001774200000000, 0.0003648800000000, 0.0001878800000000 ] - [ -0.0002848300000000, 0.0002227500000000, -0.0000934700000000 ] - [ -0.0001907200000000, 0.0011839300000000, -0.0002376300000000 ] - [ 0.0000265800000000, 0.0005155000000000, -0.0002343600000000 ] - [ -0.0001191300000000, 0.0010255900000000, 0.0007468900000000 ] - [ 0.0001559500000000, 0.0006529400000000, 0.0000112500000000 ] - [ 0.0002825300000000, 0.0018147500000000, -0.0001121800000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007668700000000, 0.0016607300000000, -0.0002266400000000 ] - [ -0.0007149200000000, 0.0006831300000000, 0.0023399700000000 ] - [ 0.0001319800000000, -0.0008289400000000, -0.0013491100000000 ] - [ -0.0007881400000000, 0.0012827000000000, -0.0015439500000000 ] - [ 0.0012224900000000, -0.0015984500000000, 0.0027399700000000 ] - [ 0.0059538900000000, -0.0073492000000000, 0.0034448500000000 ] - [ -0.0002478800000000, -0.0059927600000000, -0.0021678200000000 ] - [ 0.0002951800000000, -0.0013558200000000, 0.0024484000000000 ] - [ -0.0001359000000000, 0.0010232800000000, -0.0013116900000000 ] - [ 0.0005174200000000, 0.0016202600000000, 0.0001208800000000 ] - [ -0.0008129700000000, -0.0000069200000000, -0.0002148600000000 ] - [ 0.0002211100000000, -0.0006144600000000, -0.0012404500000000 ] - [ 0.0011334000000000, 0.0007766300000000, 0.0024199900000000 ] - [ -0.0001079800000000, -0.0014065000000000, 0.0017507200000000 ] - [ -0.0011827200000000, -0.0023511000000000, -0.0012161000000000 ] - [ 0.0001883700000000, 0.0019589800000000, -0.0000429100000000 ] - [ 0.0000104500000000, 0.0001363800000000, 0.0006191600000000 ] - [ 0.0008794000000000, 0.0003873600000000, 0.0002589300000000 ] - [ -0.0005255200000000, 0.0014649100000000, -0.0001494500000000 ] - [ -0.0002918400000000, 0.0004603600000000, -0.0006041600000000 ] - [ 0.0001285000000000, 0.0010190500000000, 0.0001737300000000 ] - [ -0.0000301500000000, 0.0008504600000000, 0.0003243900000000 ] - [ 0.0001064700000000, 0.0008593600000000, 0.0005639000000000 ] - [ -0.0001439300000000, 0.0010934300000000, 0.0005347000000000 ] - [ -0.0003579300000000, 0.0003350700000000, -0.0006052500000000 ] - [ -0.0003292000000000, -0.0013507600000000, 0.0030667000000000 ] - [ -0.0004452600000000, -0.0011228400000000, -0.0008068500000000 ] - [ 0.0000099000000000, 0.0007492900000000, -0.0003097500000000 ] - [ -0.0000901900000000, 0.0013892000000000, 0.0002618100000000 ] - [ 0.0000782100000000, 0.0010656600000000, 0.0002805800000000 ] - [ -0.0001068500000000, 0.0009377500000000, -0.0000871100000000 ] - [ 0.0012015400000000, 0.0002902100000000, 0.0007584400000000 ] - [ -0.0003471700000000, 0.0014727000000000, 0.0009241000000000 ] - [ 0.0009080200000000, -0.0057415800000000, -0.0000512500000000 ] - [ 0.0004164100000000, -0.0002905400000000, -0.0012496400000000 ] - [ -0.0000730200000000, -0.0052334900000000, 0.0009362800000000 ] - [ -0.0001360300000000, 0.0024232500000000, -0.0020960300000000 ] - [ 0.0002960000000000, -0.0000614600000000, -0.0009021400000000 ] - [ -0.0021835700000000, 0.0016255800000000, -0.0019434600000000 ] - [ -0.0003327500000000, 0.0027009100000000, -0.0005459300000000 ] - [ 0.0003369600000000, -0.0011075600000000, 0.0004954900000000 ] - [ -0.0002665200000000, -0.0019616600000000, 0.0000401000000000 ] - [ 0.0021171100000000, 0.0112111600000000, -0.0103942700000000 ] - [ 0.0048167300000000, -0.0344586500000000, 0.0110196100000000 ] - [ 0.0001427500000000, -0.0038776700000000, -0.0030252600000000 ] - [ 0.0005986800000000, -0.0352753500000000, -0.0105929000000000 ] - [ -0.0007080200000000, -0.0031206800000000, 0.0017180500000000 ] - [ -0.0000930100000000, 0.0022606100000000, 0.0009167900000000 ] - [ -0.0013027400000000, 0.0018604300000000, -0.0006664800000000 ] - [ 0.0008345300000000, 0.0014467700000000, 0.0000254400000000 ] - [ -0.0000204200000000, 0.0020847500000000, -0.0025485600000000 ] - [ 0.0006891000000000, 0.0030314000000000, 0.0000807100000000 ] - [ 0.0002456100000000, -0.0013159200000000, 0.0000343800000000 ] - [ 0.0005081900000000, 0.0015320600000000, -0.0012832000000000 ] - [ -0.0004490800000000, 0.0013365500000000, -0.0005083700000000 ] - [ 0.0000356700000000, -0.0008982900000000, -0.0002777300000000 ] - [ 0.0005412800000000, 0.0022303600000000, -0.0012681500000000 ] - [ -0.0003777300000000, 0.0021579400000000, -0.0002110300000000 ] - [ -0.0001293100000000, 0.0005382300000000, -0.0007377000000000 ] - [ 0.0003810300000000, 0.0017326500000000, -0.0001373300000000 ] - [ 0.0003076600000000, 0.0021648100000000, -0.0004062700000000 ] - [ -0.0007612000000000, 0.0011785000000000, 0.0002710700000000 ] - [ -0.0007320800000000, 0.0032033800000000, -0.0001825700000000 ] - [ 0.0043566600000000, 0.0118335000000000, 0.0020152800000000 ] - [ 0.0003118400000000, -0.0021875200000000, -0.0003950900000000 ] - [ -0.0012641600000000, 0.0054696600000000, 0.0033601500000000 ] - [ 0.0009597300000000, 0.0022706600000000, -0.0005258500000000 ] - [ -0.0004848100000000, 0.0002511800000000, 0.0011204500000000 ] - [ 0.0065244900000000, 0.0031943800000000, -0.0049423400000000 ] - [ -0.0016521200000000, 0.0017304600000000, -0.0009488900000000 ] - [ 0.0030781400000000, 0.0018049900000000, 0.0095128100000000 ] - [ -0.0003329700000000, -0.0002545200000000, 0.0013982200000000 ] - [ -0.0003440600000000, -0.0004426500000000, 0.0000488900000000 ] - [ 0.0004541500000000, -0.0010116300000000, -0.0000992800000000 ] - [ 0.0002180400000000, 0.0002462600000000, 0.0012392300000000 ] - [ -0.0004729300000000, 0.0015007700000000, -0.0004142700000000 ] - [ -0.0001494100000000, -0.0009027100000000, 0.0008005300000000 ] - [ -0.0083992400000000, -0.0018109800000000, -0.0109981900000000 ] - [ -0.0000833600000000, -0.0006417300000000, -0.0007356000000000 ] - [ 0.0044788300000000, 0.0013249100000000, -0.0047186200000000 ] - [ -0.0103413000000000, 0.1084982600000000, 0.0414546700000000 ] - [ -0.0000614800000000, 0.0001372500000000, -0.0005605100000000 ] - [ 0.0010057000000000, 0.0000387000000000, -0.0005214900000000 ] - [ 0.0002696100000000, -0.0007807800000000, -0.0006985900000000 ] - [ 0.0005629700000000, 0.0009701600000000, -0.0003078100000000 ] - [ -0.0016070600000000, -0.0021877900000000, -0.0000317300000000 ] - [ 0.0005448100000000, 0.0007055400000000, 0.0011303300000000 ] - [ -0.0094741900000000, 0.0022754300000000, -0.0044890000000000 ] - [ -0.0003489600000000, 0.0002515400000000, -0.0008453700000000 ] - [ 0.0001418000000000, 0.0008784100000000, -0.0009664500000000 ] - [ -0.0006295200000000, -0.0001424700000000, 0.0004117700000000 ] - [ 0.0003062400000000, -0.0002053700000000, 0.0005088200000000 ] - [ 0.0011786300000000, -0.0011220700000000, 0.0000810000000000 ] - [ 0.0006832500000000, -0.0011502500000000, -0.0006344800000000 ] - [ -0.0009639200000000, -0.0005777500000000, -0.0000914300000000 ] - [ -0.0004897800000000, -0.0003979400000000, 0.0003966500000000 ] - [ -0.0002366200000000, -0.0013712600000000, 0.0004315200000000 ] - [ -0.0006252900000000, 0.0010041900000000, -0.0033267500000000 ] - [ 0.0019245100000000, -0.0026822900000000, 0.0006508000000000 ] - [ -0.0002381700000000, -0.0011579500000000, 0.0011790900000000 ] - [ -0.0001498800000000, 0.0011714200000000, 0.0008503800000000 ] - [ 0.0022220600000000, -0.0185714700000000, -0.0170286000000000 ] - [ 0.0002275000000000, 0.0017336400000000, -0.0008783400000000 ] - [ -0.0008143500000000, 0.0006575100000000, -0.0000744400000000 ] - [ -0.0006486500000000, 0.0004461700000000, 0.0009534600000000 ] - [ 0.0001924700000000, -0.0029640700000000, 0.0021918000000000 ] - [ 0.0004564000000000, 0.0008458100000000, -0.0004884700000000 ] - [ 0.0003837500000000, 0.0011636300000000, 0.0000977900000000 ] - [ -0.0003097000000000, 0.0036038100000000, -0.0016106000000000 ] - [ -0.0027432900000000, -0.0001424600000000, 0.0020145600000000 ] - [ 0.0001685700000000, -0.0005104300000000, -0.0011761600000000 ] - [ -0.0003853800000000, 0.0001558600000000, 0.0005195600000000 ] - [ -0.0005465600000000, -0.0031108900000000, 0.0023141100000000 ] - [ 0.0003997900000000, -0.0010191000000000, -0.0016071100000000 ] - [ 0.0019981100000000, 0.0001374000000000, 0.0022662600000000 ] - [ 0.0027187100000000, -0.0003648000000000, -0.0002316500000000 ] - [ -0.0001757600000000, 0.0009456600000000, -0.0004346700000000 ] - [ -0.0008925100000000, 0.0023101100000000, 0.0027413400000000 ] - [ 0.0010955900000000, -0.0016928500000000, 0.0009770100000000 ] - [ -0.0029566900000000, -0.0240320600000000, -0.0074737900000000 ] - [ 0.0003054600000000, 0.0011289300000000, 0.0003676600000000 ] - [ -0.0002868400000000, -0.0018269000000000, -0.0002602600000000 ] - [ -0.0001579600000000, -0.0010656600000000, 0.0008650800000000 ] - [ -0.0003611500000000, -0.0025172400000000, 0.0001007700000000 ] - [ -0.0003166100000000, -0.0006507300000000, 0.0002243500000000 ] - [ 0.0001480300000000, -0.0010551900000000, 0.0008181200000000 ] - [ 0.0002757800000000, -0.0004609000000000, -0.0000815100000000 ] - [ -0.0004465300000000, 0.0002664000000000, 0.0008442000000000 ] - [ -0.0003400500000000, -0.0004999300000000, -0.0001585900000000 ] - [ -0.0001634500000000, 0.0007130400000000, -0.0006908800000000 ] - [ 0.0000117700000000, -0.0006403700000000, -0.0000352700000000 ] - [ 0.0003703500000000, -0.0008342400000000, 0.0003378900000000 ] - [ -0.0002600000000000, 0.0003768200000000, 0.0004717600000000 ] - [ -0.0001371400000000, -0.0007419800000000, -0.0001438600000000 ] - [ -0.0003345300000000, -0.0013665400000000, -0.0003770300000000 ] - [ -0.0000036000000000, -0.0005450000000000, 0.0009452800000000 ] - [ 0.0001913500000000, -0.0013421600000000, -0.0004091800000000 ] - [ 0.0000404000000000, -0.0009063500000000, 0.0000235700000000 ] - [ -0.0009229800000000, -0.0007238700000000, -0.0004461200000000 ] - [ 0.0003962500000000, -0.0007916800000000, -0.0000381900000000 ] - [ 0.0005899800000000, -0.0006925800000000, 0.0012814800000000 ] - [ 0.0001807500000000, -0.0004036100000000, -0.0004892900000000 ] - [ 0.0002555600000000, -0.0005791600000000, 0.0002021200000000 ] - [ -0.0000167500000000, -0.0004765000000000, -0.0002362400000000 ] - [ -0.0000521600000000, -0.0005352300000000, -0.0000741300000000 ] - [ -0.0002098700000000, -0.0014643000000000, -0.0003877500000000 ] - [ -0.0006137700000000, -0.0014489300000000, 0.0005410200000000 ] - [ 0.0001564700000000, 0.0006015500000000, 0.0002096400000000 ] - [ 0.0005847100000000, -0.0015388900000000, 0.0002208300000000 ] - [ 0.0027509500000000, -0.0027726500000000, -0.0007650200000000 ] - [ -0.0006542100000000, -0.0011224400000000, 0.0000848200000000 ] - [ -0.0004303100000000, 0.0005081300000000, -0.0002419800000000 ] - [ 0.0001263000000000, 0.0003083900000000, -0.0005069600000000 ] - [ -0.0000010700000000, -0.0004137800000000, 0.0008303300000000 ] - [ -0.0000739700000000, -0.0004180200000000, -0.0002031100000000 ] - [ -0.0002933100000000, 0.0016896900000000, 0.0000042000000000 ] - [ 0.0000692600000000, -0.0005893700000000, 0.0010116600000000 ] - [ 0.0004538100000000, -0.0021161900000000, -0.0003710500000000 ] - [ 0.0000022300000000, -0.0008437000000000, 0.0002851600000000 ] - [ -0.0010341600000000, -0.0000040800000000, 0.0000873500000000 ] - [ -0.0005460200000000, 0.0002625200000000, 0.0002777200000000 ] - [ 0.0002991300000000, -0.0003158000000000, 0.0000230000000000 ] - [ 0.0001208100000000, -0.0008445000000000, -0.0000066200000000 ] - [ 0.0003176200000000, -0.0012638200000000, -0.0002090400000000 ] - [ -0.0002802700000000, -0.0005215500000000, -0.0000707500000000 ] - [ 0.0001565400000000, -0.0010969400000000, 0.0004145300000000 ] - [ -0.0005113800000000, -0.0010240000000000, -0.0049049600000000 ] - [ -0.0002370300000000, -0.0001913700000000, -0.0003828500000000 ] - [ -0.0002728400000000, -0.0002719500000000, 0.0003076900000000 ] - [ 0.0004670100000000, -0.0009264100000000, -0.0014882600000000 ] - [ -0.0004340500000000, -0.0007971200000000, -0.0000501200000000 ] - [ 0.0000005200000000, -0.0004815900000000, -0.0000274600000000 ] - [ -0.0000267200000000, -0.0005180100000000, -0.0001502500000000 ] - [ -0.0000584100000000, -0.0003325600000000, 0.0010068700000000 ] - [ 0.0000961700000000, -0.0002415000000000, -0.0002925800000000 ] - [ 0.0002727900000000, -0.0006773300000000, 0.0006365900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001395500000000, -0.0007331000000000, -0.0003866700000000 ] - [ 0.0011534600000000, -0.0024742000000000, -0.0008848200000000 ] - [ 0.0028642900000000, 0.0059589200000000, -0.0004528500000000 ] - [ -0.0003663900000000, 0.0001476300000000, 0.0004815700000000 ] - [ -0.0019758900000000, -0.0002539700000000, -0.0046458100000000 ] - [ 0.0065296900000000, -0.0008156500000000, 0.0118170300000000 ] - [ 0.0030099900000000, 0.0030434900000000, 0.0014676100000000 ] - [ 0.0000798300000000, -0.0003588700000000, -0.0024870300000000 ] - [ -0.0003473800000000, -0.0002671300000000, 0.0004163800000000 ] - [ 0.0006814900000000, 0.0003065700000000, -0.0000113200000000 ] - [ -0.0006612200000000, -0.0005918400000000, 0.0001846100000000 ] - [ -0.0003533600000000, 0.0016993900000000, -0.0004079100000000 ] - [ -0.0006408200000000, -0.0016617400000000, -0.0010072900000000 ] - [ -0.0001569900000000, -0.0005747800000000, -0.0021923700000000 ] - [ -0.0033851200000000, 0.0037332600000000, -0.0002281500000000 ] - [ 0.0004824800000000, -0.0007191300000000, -0.0005140200000000 ] - [ 0.0004570600000000, -0.0001054200000000, -0.0014096700000000 ] - [ 0.0005606700000000, -0.0011344000000000, -0.0001689400000000 ] - [ -0.0006638300000000, 0.0005233600000000, 0.0000522700000000 ] - [ -0.0003820400000000, 0.0000629400000000, -0.0006623000000000 ] - [ -0.0000012300000000, -0.0003570600000000, -0.0000413300000000 ] - [ 0.0000026500000000, -0.0001786100000000, 0.0002751100000000 ] - [ -0.0000212400000000, -0.0001770800000000, 0.0005341400000000 ] - [ 0.0000441700000000, -0.0003216400000000, 0.0005742600000000 ] - [ -0.0003830800000000, 0.0000294900000000, -0.0006817600000000 ] - [ 0.0012515100000000, -0.0000891500000000, -0.0031792200000000 ] - [ -0.0007778000000000, 0.0002253100000000, -0.0003704200000000 ] - [ 0.0000238900000000, 0.0000567100000000, 0.0001917300000000 ] - [ 0.0001292700000000, -0.0005696900000000, -0.0002046100000000 ] - [ -0.0000275900000000, -0.0003112200000000, 0.0003361300000000 ] - [ -0.0000431200000000, -0.0001660100000000, -0.0000075600000000 ] - [ 0.0000891500000000, -0.0001011400000000, -0.0015180600000000 ] - [ -0.0002544300000000, -0.0010969900000000, -0.0010923400000000 ] - [ 0.0015770800000000, -0.0013477500000000, -0.0062594500000000 ] - [ 0.0001994000000000, 0.0022094300000000, -0.0007413800000000 ] - [ 0.0033614600000000, 0.0006052000000000, 0.0064771200000000 ] - [ 0.0003620500000000, -0.0018795700000000, -0.0000360000000000 ] - [ 0.0002294200000000, 0.0013884300000000, -0.0009748500000000 ] - [ -0.0000844100000000, 0.0004375800000000, 0.0025437200000000 ] - [ -0.0001710700000000, 0.0002163400000000, -0.0007319100000000 ] - [ 0.0008493700000000, 0.0002693500000000, -0.0021117100000000 ] - [ -0.0002053200000000, 0.0002761600000000, -0.0037651000000000 ] - [ -0.0012216200000000, -0.0063958400000000, 0.0062218100000000 ] - [ 0.0048853500000000, -0.0144575000000000, 0.0101564000000000 ] - [ -0.0010625700000000, 0.0017450300000000, 0.0054467300000000 ] - [ 0.0145880700000000, 0.0222319900000000, 0.0877887400000000 ] - [ -0.0008977200000000, 0.0020153100000000, -0.0038207900000000 ] - [ -0.0004099300000000, -0.0011052900000000, -0.0015059100000000 ] - [ -0.0002658700000000, -0.0023494800000000, 0.0004455700000000 ] - [ 0.0006976100000000, -0.0015444000000000, 0.0001731400000000 ] - [ 0.0003784500000000, 0.0001335100000000, 0.0010907100000000 ] - [ 0.0007922200000000, 0.0003661000000000, -0.0001156000000000 ] - [ 0.0000856400000000, 0.0006145600000000, -0.0024490900000000 ] - [ 0.0004476500000000, 0.0007820200000000, -0.0002600200000000 ] - [ -0.0005377300000000, -0.0000843500000000, -0.0008738000000000 ] - [ -0.0005646600000000, 0.0007719100000000, -0.0031259400000000 ] - [ 0.0004002700000000, -0.0008452300000000, -0.0000536900000000 ] - [ -0.0004947400000000, -0.0005429900000000, -0.0005277500000000 ] - [ -0.0001310900000000, -0.0005026800000000, -0.0013568900000000 ] - [ 0.0005261800000000, -0.0004778000000000, -0.0007866500000000 ] - [ 0.0001222900000000, 0.0001311800000000, -0.0011583600000000 ] - [ -0.0007713300000000, -0.0014543600000000, -0.0001428900000000 ] - [ -0.0007190000000000, 0.0003767500000000, 0.0002550700000000 ] - [ -0.0013044600000000, -0.0054965200000000, -0.0015778600000000 ] - [ 0.0002654900000000, -0.0001412400000000, 0.0003761900000000 ] - [ -0.0012829700000000, -0.0041240400000000, -0.0030829200000000 ] - [ -0.0009187000000000, -0.0009206000000000, 0.0016725800000000 ] - [ -0.0002092200000000, -0.0023877400000000, 0.0010287100000000 ] - [ -0.0103155900000000, 0.0097356400000000, 0.0058865500000000 ] - [ -0.0007641900000000, -0.0025789800000000, 0.0010596500000000 ] - [ 0.0064304800000000, -0.0113436400000000, 0.0173488400000000 ] - [ -0.0003340900000000, -0.0002034900000000, 0.0006686900000000 ] - [ -0.0002886700000000, -0.0006016100000000, -0.0012308500000000 ] - [ 0.0002823900000000, -0.0000727100000000, -0.0001745000000000 ] - [ -0.0013454200000000, -0.0023001400000000, -0.0011543100000000 ] - [ 0.0002578500000000, -0.0005190400000000, 0.0022384300000000 ] - [ -0.0003771800000000, 0.0001255900000000, 0.0001674100000000 ] - [ 0.0096004400000000, 0.0200034500000000, 0.0122049500000000 ] - [ -0.0006376900000000, 0.0009774500000000, -0.0011733600000000 ] - [ -0.0068983500000000, 0.0036632800000000, 0.0064981800000000 ] - [ -0.0401238200000000, -0.0431125600000000, -0.1611352500000000 ] - [ -0.0005727500000000, 0.0006811700000000, 0.0011766400000000 ] - [ 0.0008355600000000, 0.0008761500000000, -0.0000947500000000 ] - [ 0.0006878600000000, 0.0016986100000000, 0.0008657100000000 ] - [ 0.0003883600000000, 0.0012346000000000, 0.0007864800000000 ] - [ 0.0013785300000000, 0.0015033300000000, -0.0010225400000000 ] - [ 0.0002661900000000, -0.0003039500000000, -0.0005214400000000 ] - [ 0.0110225100000000, 0.0016922200000000, 0.0023395200000000 ] - [ 0.0001870500000000, 0.0005430400000000, 0.0009802100000000 ] - [ -0.0002365500000000, 0.0004732200000000, 0.0024393800000000 ] - [ -0.0006689400000000, -0.0015013000000000, 0.0003319300000000 ] - [ -0.0000421700000000, 0.0005868200000000, -0.0000186100000000 ] - [ 0.0006345200000000, 0.0010302100000000, 0.0000267300000000 ] - [ 0.0008884900000000, -0.0002302000000000, -0.0000297400000000 ] - [ -0.0009640300000000, -0.0009815800000000, -0.0002061100000000 ] - [ -0.0002114500000000, 0.0004005100000000, -0.0005070300000000 ] - [ -0.0000286500000000, -0.0002380800000000, 0.0001666900000000 ] - [ 0.0020389200000000, 0.0043437400000000, 0.0075573300000000 ] - [ -0.0013652300000000, 0.0020993300000000, -0.0007086600000000 ] - [ -0.0002961600000000, 0.0010765500000000, -0.0001229200000000 ] - [ -0.0009077100000000, -0.0003276000000000, 0.0022501200000000 ] - [ -0.0006678200000000, 0.0061347800000000, 0.0052899800000000 ] - [ 0.0001491600000000, -0.0003941600000000, 0.0015316500000000 ] - [ -0.0006897000000000, -0.0001140300000000, -0.0000887300000000 ] - [ -0.0005707600000000, -0.0000381000000000, -0.0002788600000000 ] - [ 0.0002830200000000, 0.0013982800000000, -0.0005681100000000 ] - [ -0.0003889200000000, -0.0005612700000000, 0.0035431900000000 ] - [ 0.0004618700000000, -0.0011668800000000, 0.0004928300000000 ] - [ -0.0007150800000000, -0.0007683700000000, 0.0019337400000000 ] - [ 0.0010564000000000, -0.0001627100000000, -0.0026029100000000 ] - [ 0.0003877900000000, 0.0006701200000000, -0.0005357600000000 ] - [ -0.0001103900000000, -0.0009031200000000, -0.0012052400000000 ] - [ -0.0001272800000000, 0.0013696200000000, -0.0005874300000000 ] - [ 0.0002198700000000, 0.0002102400000000, -0.0003505200000000 ] - [ -0.0001572400000000, -0.0007356000000000, -0.0041757700000000 ] - [ 0.0033633400000000, 0.0002545500000000, -0.0074294900000000 ] - [ 0.0005747500000000, -0.0001627300000000, 0.0014474600000000 ] - [ -0.0014305900000000, -0.0009409700000000, 0.0067184200000000 ] - [ 0.0017352400000000, -0.0021410500000000, -0.0011863700000000 ] - [ 0.0023364000000000, 0.0099249600000000, -0.0014506400000000 ] - [ 0.0002643700000000, -0.0002099500000000, 0.0014545100000000 ] - [ -0.0002770500000000, -0.0002732400000000, 0.0004388600000000 ] - [ -0.0000752600000000, -0.0001619700000000, 0.0008928000000000 ] - [ -0.0005107800000000, -0.0005101500000000, 0.0003404400000000 ] - [ -0.0001172400000000, 0.0001927100000000, 0.0001514400000000 ] - [ 0.0000683800000000, -0.0001706100000000, 0.0008762700000000 ] - [ 0.0003202000000000, 0.0006352400000000, -0.0001845200000000 ] - [ -0.0004368700000000, 0.0007134800000000, 0.0005809700000000 ] - [ -0.0003641000000000, -0.0004937100000000, -0.0005382800000000 ] - [ 0.0007004900000000, -0.0007991200000000, 0.0010525600000000 ] - [ 0.0001792500000000, 0.0000624400000000, 0.0002378500000000 ] - [ 0.0000858400000000, 0.0002656800000000, 0.0000494200000000 ] - [ -0.0003278800000000, 0.0003626700000000, 0.0014373400000000 ] - [ -0.0001198300000000, -0.0000597300000000, -0.0000833500000000 ] - [ -0.0002946400000000, -0.0001163700000000, -0.0000726700000000 ] - [ -0.0000080800000000, 0.0001435500000000, 0.0010187900000000 ] - [ 0.0000759900000000, -0.0000728500000000, -0.0000030500000000 ] - [ -0.0002172100000000, 0.0002577000000000, 0.0001141900000000 ] - [ 0.0016625500000000, 0.0022629400000000, -0.0002238000000000 ] - [ 0.0005694700000000, 0.0015030500000000, 0.0003930700000000 ] - [ 0.0004746800000000, 0.0016880700000000, -0.0000738400000000 ] - [ 0.0005154000000000, 0.0005148900000000, 0.0003288000000000 ] - [ 0.0003125600000000, 0.0005994800000000, 0.0010247600000000 ] - [ 0.0000087100000000, 0.0001249100000000, -0.0001355900000000 ] - [ -0.0001477500000000, 0.0004738700000000, -0.0002655100000000 ] - [ -0.0000582800000000, -0.0000938000000000, -0.0001272300000000 ] - [ -0.0005554400000000, -0.0006321000000000, 0.0001607000000000 ] - [ -0.0000607100000000, 0.0004030300000000, 0.0006790600000000 ] - [ 0.0005587900000000, -0.0002795600000000, 0.0002988100000000 ] - [ 0.0002179300000000, 0.0005167600000000, -0.0001267700000000 ] - [ -0.0011652900000000, -0.0007794700000000, -0.0004398600000000 ] - [ -0.0002993800000000, 0.0000491700000000, 0.0005576400000000 ] - [ -0.0001233300000000, -0.0010088700000000, 0.0014558300000000 ] - [ 0.0001317800000000, 0.0005891000000000, 0.0009379400000000 ] - [ -0.0002355600000000, 0.0008457200000000, 0.0006617000000000 ] - [ -0.0005228600000000, -0.0011155400000000, 0.0026485200000000 ] - [ -0.0000233900000000, 0.0001453900000000, 0.0009309700000000 ] - [ 0.0004435100000000, -0.0005248600000000, 0.0007879800000000 ] - [ 0.0001173200000000, 0.0007726800000000, -0.0003581400000000 ] - [ -0.0006910200000000, 0.0004839400000000, -0.0004120000000000 ] - [ -0.0005461700000000, 0.0002078100000000, 0.0002783700000000 ] - [ 0.0003376100000000, -0.0006507000000000, 0.0013477000000000 ] - [ 0.0001423800000000, -0.0000548500000000, -0.0002379500000000 ] - [ 0.0003254900000000, -0.0002744500000000, -0.0002466400000000 ] - [ -0.0003236100000000, 0.0006856700000000, -0.0002459800000000 ] - [ 0.0001586400000000, -0.0004454000000000, 0.0003572700000000 ] - [ 0.0005649800000000, 0.0010635800000000, 0.0011870800000000 ] - [ -0.0003284600000000, 0.0002048000000000, -0.0005920800000000 ] - [ -0.0003334700000000, -0.0008390600000000, 0.0013270100000000 ] - [ 0.0002922500000000, 0.0003199600000000, 0.0001349100000000 ] - [ -0.0003820900000000, -0.0002005500000000, 0.0000275100000000 ] - [ -0.0001210500000000, 0.0004597800000000, -0.0000430400000000 ] - [ 0.0000058400000000, 0.0001282900000000, -0.0002498200000000 ] - [ -0.0000775200000000, 0.0004738300000000, 0.0007927500000000 ] - [ 0.0001304500000000, 0.0002488800000000, -0.0000017900000000 ] - [ 0.0002757100000000, 0.0008225200000000, 0.0003130700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005965400000000, 0.0006229200000000, -0.0005981500000000 ] - [ 0.0001402400000000, 0.0011603000000000, 0.0009011700000000 ] - [ -0.0040950400000000, -0.0046104100000000, 0.0004911200000000 ] - [ -0.0003658000000000, -0.0000561300000000, -0.0014492100000000 ] - [ 0.0020558800000000, 0.0002312000000000, 0.0046363500000000 ] - [ -0.0070196700000000, 0.0010499000000000, -0.0116883800000000 ] - [ -0.0029934200000000, -0.0030004800000000, -0.0003701800000000 ] - [ -0.0000799600000000, 0.0003599000000000, 0.0035545100000000 ] - [ -0.0003932500000000, 0.0001603000000000, -0.0013878500000000 ] - [ 0.0006106900000000, 0.0009793500000000, 0.0000356800000000 ] - [ -0.0006293900000000, -0.0007022500000000, -0.0001567100000000 ] - [ 0.0002766400000000, -0.0016675300000000, 0.0003922100000000 ] - [ 0.0007145800000000, 0.0016696500000000, 0.0009810200000000 ] - [ 0.0001562100000000, 0.0005729100000000, 0.0027799000000000 ] - [ 0.0032360600000000, -0.0037149000000000, 0.0002202700000000 ] - [ 0.0002558100000000, 0.0008081000000000, -0.0004714600000000 ] - [ 0.0002862500000000, 0.0000078700000000, 0.0004111900000000 ] - [ 0.0007282800000000, -0.0001657800000000, 0.0001906400000000 ] - [ -0.0006280300000000, 0.0007635100000000, -0.0000272800000000 ] - [ -0.0003569500000000, 0.0000314200000000, -0.0003229400000000 ] - [ 0.0000794900000000, 0.0003239400000000, 0.0000260100000000 ] - [ -0.0000024400000000, 0.0001733500000000, 0.0003349800000000 ] - [ 0.0000202900000000, 0.0001717100000000, 0.0005721400000000 ] - [ -0.0000433600000000, 0.0003141200000000, 0.0005323300000000 ] - [ -0.0003543100000000, -0.0001327100000000, -0.0003037600000000 ] - [ 0.0000561000000000, 0.0014110900000000, 0.0031769000000000 ] - [ -0.0005158200000000, -0.0015147900000000, 0.0003939600000000 ] - [ -0.0001024900000000, -0.0000329900000000, -0.0002030400000000 ] - [ -0.0000491800000000, 0.0005839500000000, 0.0001861100000000 ] - [ 0.0000272700000000, 0.0003037700000000, 0.0002741900000000 ] - [ -0.0000357200000000, 0.0001337700000000, -0.0000073500000000 ] - [ 0.0006377600000000, 0.0002009100000000, 0.0005182100000000 ] - [ -0.0003663400000000, 0.0009551000000000, 0.0002265900000000 ] - [ -0.0000780400000000, -0.0004878000000000, 0.0063288500000000 ] - [ 0.0004224600000000, -0.0020585200000000, -0.0001162500000000 ] - [ -0.0018079600000000, 0.0012891000000000, -0.0063060600000000 ] - [ -0.0000042600000000, 0.0006345300000000, -0.0016763900000000 ] - [ 0.0003893000000000, -0.0015019100000000, 0.0001157700000000 ] - [ -0.0008712300000000, -0.0004339700000000, -0.0036443500000000 ] - [ -0.0001828300000000, 0.0009893900000000, -0.0009957700000000 ] - [ 0.0001075300000000, -0.0002718400000000, 0.0009873000000000 ] - [ -0.0007495300000000, -0.0002533000000000, 0.0026271800000000 ] - [ 0.0008602800000000, 0.0051085500000000, -0.0078841300000000 ] - [ -0.0038733200000000, 0.0142827400000000, -0.0117313100000000 ] - [ 0.0014099300000000, -0.0004824700000000, -0.0071804600000000 ] - [ -0.0145435100000000, -0.0214064600000000, -0.0819560700000000 ] - [ -0.0006029400000000, -0.0001284100000000, 0.0038818100000000 ] - [ -0.0002138500000000, 0.0012136800000000, 0.0006391500000000 ] - [ -0.0003418000000000, 0.0022181200000000, -0.0013036000000000 ] - [ 0.0007963600000000, -0.0003310600000000, -0.0000839300000000 ] - [ 0.0002460900000000, -0.0000187600000000, -0.0019382700000000 ] - [ 0.0007029800000000, 0.0014788200000000, 0.0002018200000000 ] - [ 0.0002699500000000, -0.0018336700000000, 0.0007131200000000 ] - [ 0.0001735300000000, -0.0009132400000000, -0.0005993300000000 ] - [ -0.0004189900000000, 0.0000758400000000, -0.0002427600000000 ] - [ 0.0002065300000000, 0.0004604900000000, 0.0013829800000000 ] - [ 0.0005550700000000, 0.0008263300000000, -0.0010524400000000 ] - [ -0.0004617500000000, 0.0005320900000000, -0.0005874000000000 ] - [ -0.0002229200000000, -0.0007182000000000, -0.0003748400000000 ] - [ 0.0004305100000000, 0.0004684400000000, -0.0003299000000000 ] - [ 0.0002311000000000, 0.0010743800000000, -0.0005722600000000 ] - [ -0.0007235200000000, -0.0004190100000000, 0.0002279400000000 ] - [ -0.0007756400000000, 0.0014682900000000, -0.0001642900000000 ] - [ 0.0006120700000000, 0.0054731700000000, 0.0006849800000000 ] - [ 0.0002888000000000, -0.0009912200000000, 0.0001511100000000 ] - [ 0.0007475100000000, 0.0029289200000000, 0.0035552100000000 ] - [ 0.0007245200000000, 0.0002097700000000, 0.0000911100000000 ] - [ -0.0007055300000000, 0.0005623100000000, -0.0001612400000000 ] - [ 0.0101595300000000, -0.0098485100000000, -0.0056396600000000 ] - [ 0.0009589700000000, 0.0019040300000000, 0.0007283000000000 ] - [ -0.0056193600000000, 0.0117623200000000, -0.0172224900000000 ] - [ -0.0005806800000000, 0.0020054400000000, 0.0001958500000000 ] - [ -0.0003535300000000, 0.0000423700000000, -0.0000694200000000 ] - [ 0.0004361300000000, -0.0004934400000000, 0.0000301700000000 ] - [ 0.0016568800000000, 0.0022399000000000, 0.0014228000000000 ] - [ 0.0000491000000000, 0.0005673400000000, -0.0019405600000000 ] - [ -0.0002206500000000, 0.0002844400000000, 0.0011173300000000 ] - [ -0.0100544900000000, -0.0207831600000000, -0.0126664700000000 ] - [ 0.0000026600000000, -0.0018047900000000, 0.0007971600000000 ] - [ 0.0066345400000000, -0.0035876600000000, -0.0043655700000000 ] - [ 0.0390926500000000, 0.0399675400000000, 0.1555110500000000 ] - [ 0.0002640900000000, -0.0007325600000000, -0.0008917600000000 ] - [ 0.0009062900000000, 0.0002894500000000, -0.0004151600000000 ] - [ 0.0004455100000000, -0.0003637300000000, -0.0003474000000000 ] - [ 0.0005268600000000, 0.0005736600000000, 0.0000795000000000 ] - [ -0.0006439200000000, -0.0009155800000000, 0.0008756300000000 ] - [ 0.0003282100000000, 0.0006986700000000, 0.0017976400000000 ] - [ -0.0108272200000000, -0.0016734800000000, -0.0027405500000000 ] - [ -0.0004349600000000, -0.0001259800000000, -0.0012497900000000 ] - [ 0.0000429200000000, -0.0011810400000000, -0.0026891200000000 ] - [ -0.0004680100000000, 0.0001762900000000, 0.0001763500000000 ] - [ 0.0002873900000000, 0.0004530200000000, 0.0006038400000000 ] - [ 0.0004809400000000, -0.0023632100000000, 0.0004891900000000 ] - [ 0.0008550500000000, -0.0009251000000000, -0.0004791800000000 ] - [ -0.0007792600000000, -0.0001820800000000, -0.0003059100000000 ] - [ -0.0005053000000000, 0.0001746900000000, 0.0003563400000000 ] - [ -0.0002183900000000, -0.0007922500000000, 0.0004207800000000 ] - [ -0.0018589500000000, -0.0036299700000000, -0.0057822000000000 ] - [ 0.0010989900000000, -0.0010439100000000, 0.0012953000000000 ] - [ -0.0002593600000000, 0.0000785100000000, 0.0006384600000000 ] - [ 0.0009149000000000, 0.0003214800000000, -0.0002917000000000 ] - [ 0.0015663000000000, -0.0077072400000000, -0.0041863200000000 ] - [ 0.0000418400000000, 0.0010905000000000, -0.0017841200000000 ] - [ -0.0010518300000000, 0.0012654300000000, -0.0004212800000000 ] - [ -0.0005607300000000, 0.0013629700000000, 0.0007879100000000 ] - [ 0.0003164000000000, -0.0017732400000000, 0.0018355700000000 ] - [ 0.0006384300000000, 0.0001394700000000, -0.0037841900000000 ] - [ 0.0001623200000000, 0.0003101700000000, -0.0008618200000000 ] - [ 0.0000956900000000, 0.0015984100000000, -0.0022970000000000 ] - [ -0.0007685500000000, -0.0008815200000000, 0.0031722600000000 ] - [ 0.0002556500000000, -0.0001074200000000, -0.0007543600000000 ] - [ -0.0005304100000000, 0.0014463900000000, -0.0000997700000000 ] - [ -0.0004689000000000, -0.0017512300000000, 0.0018628100000000 ] - [ 0.0004226500000000, -0.0007610300000000, -0.0009383600000000 ] - [ -0.0005855700000000, 0.0001483900000000, 0.0039887700000000 ] - [ -0.0035332000000000, 0.0004487400000000, 0.0071314400000000 ] - [ -0.0005768900000000, 0.0001565300000000, -0.0018265300000000 ] - [ 0.0012693000000000, 0.0016433500000000, -0.0050038700000000 ] - [ -0.0014964100000000, 0.0025563900000000, 0.0008906700000000 ] - [ -0.0017721800000000, -0.0084981100000000, 0.0018901700000000 ] - [ 0.0002921700000000, -0.0009407000000000, -0.0009230200000000 ] - [ -0.0002775000000000, -0.0008604300000000, 0.0000893400000000 ] - [ -0.0001016200000000, -0.0005290700000000, 0.0008599100000000 ] - [ -0.0004056900000000, -0.0012821100000000, 0.0005261800000000 ] - [ -0.0001862500000000, -0.0001286600000000, 0.0001228300000000 ] - [ 0.0001079600000000, -0.0005210700000000, 0.0008761400000000 ] - [ 0.0003035600000000, 0.0002215500000000, -0.0001891600000000 ] - [ -0.0004789300000000, 0.0010886400000000, 0.0002827300000000 ] - [ -0.0002785800000000, -0.0000621300000000, -0.0007525800000000 ] - [ 0.0000230300000000, 0.0002195400000000, -0.0011836600000000 ] - [ 0.0001263600000000, -0.0001186200000000, 0.0000386200000000 ] - [ 0.0002174900000000, -0.0002004500000000, 0.0002243100000000 ] - [ -0.0002694900000000, 0.0000399900000000, -0.0001478600000000 ] - [ -0.0001331200000000, -0.0003492500000000, -0.0001969400000000 ] - [ -0.0003287500000000, -0.0007281700000000, -0.0002981900000000 ] - [ 0.0000081100000000, -0.0001396400000000, 0.0009331600000000 ] - [ 0.0001141000000000, -0.0006253700000000, -0.0002593000000000 ] - [ -0.0000888600000000, -0.0003110900000000, 0.0001613800000000 ] - [ 0.0001075600000000, -0.0010991800000000, -0.0002834300000000 ] - [ 0.0005654100000000, -0.0001672600000000, 0.0001226400000000 ] - [ 0.0004385400000000, 0.0001255200000000, 0.0009316300000000 ] - [ 0.0002057100000000, 0.0000614300000000, -0.0004671600000000 ] - [ 0.0002852500000000, -0.0001869500000000, 0.0002651700000000 ] - [ -0.0000088300000000, -0.0001214700000000, -0.0002497900000000 ] - [ -0.0001059300000000, -0.0000552300000000, -0.0000161600000000 ] - [ -0.0001315700000000, -0.0006039200000000, -0.0001357800000000 ] - [ -0.0005763700000000, -0.0006866100000000, 0.0003511900000000 ] - [ 0.0003092000000000, 0.0006356000000000, -0.0000863500000000 ] - [ 0.0005731500000000, -0.0010365100000000, 0.0002140100000000 ] - [ 0.0014968400000000, -0.0016524700000000, -0.0003771200000000 ] - [ -0.0005802900000000, -0.0003786900000000, -0.0000720400000000 ] - [ -0.0004204000000000, 0.0005229000000000, -0.0006982100000000 ] - [ -0.0001270400000000, -0.0000391200000000, -0.0008545800000000 ] - [ 0.0000461100000000, 0.0001121000000000, 0.0008147800000000 ] - [ -0.0000129000000000, 0.0001986400000000, -0.0000670800000000 ] - [ -0.0000320300000000, 0.0022580300000000, -0.0021244300000000 ] - [ 0.0000226400000000, -0.0001417300000000, 0.0010199700000000 ] - [ 0.0004718800000000, -0.0012689300000000, 0.0000816300000000 ] - [ 0.0000740000000000, -0.0000592700000000, 0.0000899300000000 ] - [ -0.0010497000000000, 0.0006798900000000, -0.0001001200000000 ] - [ -0.0005862900000000, 0.0011127200000000, 0.0002346000000000 ] - [ 0.0002596700000000, 0.0002482900000000, -0.0000580000000000 ] - [ 0.0001100700000000, -0.0003538200000000, -0.0000431900000000 ] - [ 0.0002983800000000, -0.0005716000000000, -0.0001263400000000 ] - [ -0.0003002100000000, 0.0001714100000000, -0.0001284500000000 ] - [ 0.0000894200000000, -0.0005865800000000, 0.0002317100000000 ] - [ 0.0000900100000000, -0.0004915400000000, -0.0024217200000000 ] - [ -0.0003151500000000, 0.0003549800000000, -0.0006989600000000 ] - [ -0.0002649800000000, 0.0004269100000000, -0.0000331800000000 ] - [ 0.0003493800000000, -0.0008735000000000, -0.0014178400000000 ] - [ -0.0003369000000000, -0.0003670400000000, -0.0001709600000000 ] - [ -0.0000702100000000, 0.0002499400000000, -0.0002213000000000 ] - [ -0.0000057200000000, -0.0001251500000000, -0.0001365000000000 ] - [ -0.0000995400000000, 0.0002259500000000, 0.0009574600000000 ] - [ 0.0001226800000000, 0.0001660900000000, -0.0002766100000000 ] - [ 0.0002789700000000, 0.0003273100000000, 0.0002095000000000 ]- atom: 83 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0067298200000000, 0.0008822600000000, -0.0001326700000000 ] - [ 0.0049813100000000, -0.0017086500000000, 0.0000169800000000 ] - [ -0.0006012400000000, 0.0006902700000000, -0.0000381800000000 ] - [ -0.0003702000000000, 0.0000907600000000, -0.0004860000000000 ] - [ 0.0000714600000000, 0.0000212200000000, 0.0000406500000000 ] - [ 0.0001076300000000, 0.0000729900000000, 0.0002683800000000 ] - [ -0.0000308600000000, 0.0000507100000000, 0.0005452600000000 ] - [ 0.0001779400000000, -0.0002084000000000, 0.0002843800000000 ] - [ -0.0003678900000000, -0.0000089600000000, -0.0004886300000000 ] - [ -0.0073441300000000, -0.0009494300000000, -0.0002838200000000 ] - [ -0.0006760400000000, -0.0006159000000000, 0.0000807600000000 ] - [ 0.0001302900000000, 0.0000732500000000, -0.0003676000000000 ] - [ -0.0030346300000000, 0.0012802200000000, 0.0006829500000000 ] - [ -0.0004078600000000, -0.0000202200000000, -0.0000069300000000 ] - [ -0.0000957600000000, -0.0000063100000000, -0.0000405200000000 ] - [ 0.0062226500000000, 0.0007851000000000, 0.0006378000000000 ] - [ 0.0003618200000000, -0.0000557300000000, -0.0004963900000000 ] - [ 0.0006781900000000, -0.0005931200000000, -0.0000272400000000 ] - [ -0.0003529300000000, 0.0006483300000000, 0.0002278000000000 ] - [ -0.0035837900000000, -0.0010092800000000, -0.0000202100000000 ] - [ 0.0046554000000000, 0.0016284200000000, -0.0005757500000000 ] - [ 0.0003795000000000, -0.0001940000000000, 0.0005423500000000 ] - [ -0.0001774600000000, -0.0001452200000000, 0.0007446500000000 ] - [ 0.0000472100000000, 0.0000562700000000, 0.0005961400000000 ] - [ 0.0024852400000000, -0.0010606700000000, -0.0005361000000000 ] - [ 0.0006171500000000, 0.0006778900000000, 0.0000482900000000 ] - [ -0.0009795300000000, -0.0006595400000000, -0.0001977800000000 ] - [ 0.0000166100000000, -0.0000052600000000, 0.0000305600000000 ] - [ 0.0000111900000000, 0.0000748700000000, -0.0000596800000000 ] - [ -0.0001311600000000, 0.0000919200000000, 0.0003861500000000 ] - [ -0.0001840000000000, 0.0002076300000000, 0.0007406600000000 ] - [ 0.0003766600000000, 0.0000407500000000, -0.0004974900000000 ] - [ 0.0549006800000000, 0.0112988400000000, 0.0022262500000000 ] - [ 0.0010045600000000, 0.0002462500000000, 0.0000305500000000 ] - [ 0.0003141900000000, 0.0000748500000000, -0.0004399000000000 ] - [ 0.0008409200000000, 0.0006257400000000, -0.0001749600000000 ] - [ 0.0001659400000000, -0.0005429500000000, -0.0008540000000000 ] - [ 0.0003075700000000, -0.0000621700000000, -0.0004221900000000 ] - [ -0.0004314000000000, -0.0002063200000000, -0.0007410700000000 ] - [ 0.0001273500000000, 0.0008645000000000, -0.0013741500000000 ] - [ -0.0018597700000000, -0.0072725000000000, 0.0038537800000000 ] - [ -0.0004206200000000, 0.0000503500000000, -0.0004886000000000 ] - [ -0.0000108100000000, -0.0002769800000000, -0.0004188700000000 ] - [ 0.0004601700000000, 0.0001340100000000, -0.0004962500000000 ] - [ 0.0001865900000000, 0.0006726300000000, -0.0008524600000000 ] - [ -0.0006398000000000, -0.0002503100000000, 0.0004180200000000 ] - [ -0.0005601500000000, 0.0007223100000000, 0.0012847800000000 ] - [ 0.0721940600000000, -0.0198745700000000, -0.0032476400000000 ] - [ -0.0003260500000000, 0.0000290700000000, -0.0004307700000000 ] - [ 0.0005196600000000, -0.0012819900000000, 0.0003587800000000 ] - [ 0.0002709700000000, -0.0006734700000000, 0.0002551800000000 ] - [ 0.0004740900000000, 0.0023120900000000, -0.0000304900000000 ] - [ -0.0010702500000000, 0.0083104900000000, -0.0049779500000000 ] - [ 0.0003142200000000, -0.0007155600000000, -0.0005539800000000 ] - [ -0.0006081700000000, 0.0000609500000000, -0.0006756600000000 ] - [ -0.0001600200000000, 0.0004768200000000, -0.0009410200000000 ] - [ 0.0005046600000000, 0.0001579200000000, -0.0005990100000000 ] - [ -0.0006756000000000, -0.0001474100000000, -0.0003165400000000 ] - [ -0.0001876000000000, -0.0007139000000000, -0.0008304200000000 ] - [ 0.0034333900000000, -0.0110163100000000, -0.0073973400000000 ] - [ 0.0019752300000000, 0.0097518700000000, 0.0041772300000000 ] - [ -0.0008815500000000, -0.0009208500000000, -0.0012002000000000 ] - [ -0.0006621300000000, 0.0019458700000000, 0.0000418000000000 ] - [ -0.0002937700000000, 0.0001520700000000, -0.0004222100000000 ] - [ -0.0001953400000000, -0.0011268400000000, 0.0008000300000000 ] - [ -0.0002871400000000, -0.0006035400000000, 0.0002627200000000 ] - [ -0.0000464900000000, -0.0002570100000000, 0.0009405100000000 ] - [ -0.0004592600000000, -0.0008987600000000, 0.0004373300000000 ] - [ -0.0001468900000000, -0.0000120400000000, 0.0001343900000000 ] - [ 0.0001010400000000, -0.0003784200000000, 0.0008198400000000 ] - [ 0.0002912100000000, 0.0002104700000000, -0.0002160200000000 ] - [ -0.0004028700000000, 0.0011367500000000, 0.0002971300000000 ] - [ -0.0003243500000000, -0.0002957600000000, -0.0006546400000000 ] - [ -0.0007242300000000, 0.0001208600000000, 0.0004318800000000 ] - [ 0.0002455100000000, -0.0000361600000000, 0.0001092700000000 ] - [ 0.0001013100000000, 0.0000590100000000, 0.0001592100000000 ] - [ -0.0004274100000000, 0.0004352300000000, 0.0011656500000000 ] - [ -0.0001468900000000, -0.0002549700000000, -0.0001518400000000 ] - [ -0.0001451800000000, 0.0005323800000000, 0.0001601000000000 ] - [ -0.0002574300000000, -0.0000185900000000, 0.0010241400000000 ] - [ 0.0001128300000000, -0.0004872300000000, -0.0001672300000000 ] - [ -0.0014830400000000, 0.0010963700000000, 0.0005843900000000 ] - [ -0.2431794200000000, 0.0068821000000000, -0.0003724200000000 ] - [ 0.0030575200000000, -0.0065880000000000, -0.0013930600000000 ] - [ 0.0042349900000000, 0.0122395100000000, -0.0050781800000000 ] - [ 0.0015880700000000, 0.0003992200000000, -0.0010178500000000 ] - [ 0.0002966000000000, 0.0001575000000000, 0.0006193900000000 ] - [ 0.0003375600000000, -0.0000102800000000, -0.0001804400000000 ] - [ 0.0021570000000000, 0.0008474800000000, 0.0005017200000000 ] - [ -0.0000774100000000, -0.0005155800000000, -0.0003117200000000 ] - [ -0.0005668100000000, -0.0006664100000000, 0.0002642900000000 ] - [ 0.0001336600000000, 0.0004850500000000, 0.0002791300000000 ] - [ 0.0005658800000000, -0.0006792700000000, 0.0002498400000000 ] - [ 0.0236301500000000, 0.0006828400000000, 0.0001024600000000 ] - [ -0.0008737200000000, -0.0005844500000000, -0.0002565600000000 ] - [ -0.0003646000000000, 0.0002621400000000, -0.0000888700000000 ] - [ 0.0010249000000000, 0.0007307300000000, 0.0016695800000000 ] - [ 0.0000059700000000, -0.0004988100000000, 0.0008696400000000 ] - [ -0.0008680100000000, 0.0003182700000000, -0.0001667400000000 ] - [ -0.0002575700000000, 0.0005318200000000, 0.0002454300000000 ] - [ 0.0003590400000000, -0.0001453300000000, 0.0009260000000000 ] - [ 0.0004601100000000, -0.0009817400000000, 0.0003804000000000 ] - [ 0.0003630500000000, 0.0022194000000000, -0.0007731200000000 ] - [ -0.0008657200000000, 0.0005755400000000, -0.0002537100000000 ] - [ -0.0005624300000000, 0.0009274800000000, 0.0002791100000000 ] - [ 0.0003007300000000, -0.0002412400000000, 0.0006559500000000 ] - [ 0.0001752200000000, -0.0002016500000000, -0.0001396800000000 ] - [ 0.0002595900000000, -0.0005856000000000, -0.0005561300000000 ] - [ -0.0003218600000000, 0.0003719000000000, -0.0002205100000000 ] - [ 0.0001125200000000, -0.0005486400000000, 0.0002974600000000 ] - [ 0.0180556400000000, -0.0003874300000000, -0.0153829100000000 ] - [ -0.0003166900000000, 0.0002577900000000, -0.0006433400000000 ] - [ -0.0003826300000000, -0.0000370000000000, -0.0002031300000000 ] - [ 0.0094495000000000, 0.0070656200000000, 0.0096826400000000 ] - [ -0.0003511300000000, -0.0003097600000000, -0.0000716700000000 ] - [ -0.0001452200000000, 0.0004438800000000, -0.0000392400000000 ] - [ -0.0003493900000000, -0.0000678200000000, -0.0003644000000000 ] - [ -0.0001995000000000, 0.0001759200000000, 0.0011372700000000 ] - [ -0.0000368000000000, 0.0002109900000000, -0.0001690000000000 ] - [ 0.0003174600000000, 0.0002116000000000, 0.0000519300000000 ] - [ 0.0002403000000000, -0.0003396900000000, 0.0001116900000000 ] - [ -0.0005749800000000, -0.0024740400000000, -0.0011416800000000 ] - [ 0.0000071900000000, -0.0005966100000000, 0.0005635000000000 ] - [ -0.0004962700000000, -0.0007266200000000, 0.0003783600000000 ] - [ 0.0018846200000000, 0.0020907400000000, -0.0014841200000000 ] - [ -0.0000500000000000, -0.0008614600000000, 0.0007823400000000 ] - [ 0.0005434000000000, 0.0000965500000000, 0.0002109200000000 ] - [ -0.0004499000000000, 0.0009244600000000, 0.0004222300000000 ] - [ -0.0003629100000000, -0.0000594400000000, -0.0009029100000000 ] - [ 0.0003315300000000, -0.0002641200000000, -0.0000784900000000 ] - [ 0.0002613200000000, 0.0000966900000000, 0.0001711200000000 ] - [ 0.0000814300000000, 0.0000392000000000, 0.0000985900000000 ] - [ -0.0003007400000000, 0.0002297000000000, 0.0006583500000000 ] - [ -0.0024527800000000, 0.0011489600000000, -0.0002191800000000 ] - [ -0.0002969000000000, -0.0005143600000000, -0.0001326100000000 ] - [ -0.0003542700000000, -0.0002062200000000, 0.0010240300000000 ] - [ -0.0001572600000000, 0.0014398200000000, 0.0006414300000000 ] - [ -0.0001590100000000, -0.0000849400000000, 0.0001309100000000 ] - [ 0.0008596300000000, 0.0005527100000000, -0.0002554100000000 ] - [ 0.0005673700000000, 0.0006354900000000, 0.0002601400000000 ] - [ 0.0004551300000000, 0.0008093700000000, 0.0004872800000000 ] - [ 0.0003876700000000, 0.0003011700000000, -0.0000459600000000 ] - [ 0.0117065400000000, -0.0028452100000000, -0.0109478900000000 ] - [ 0.0003811800000000, -0.0001214400000000, 0.0000233300000000 ] - [ -0.0001070400000000, 0.0001426400000000, -0.0001428100000000 ] - [ -0.0000189700000000, -0.0002958700000000, -0.0003129200000000 ] - [ -0.0006530200000000, -0.0003484900000000, 0.0000802400000000 ] - [ 0.0032578000000000, 0.0001646400000000, 0.0017542100000000 ] - [ 0.0258693900000000, -0.0146894200000000, 0.0076025800000000 ] - [ 0.0008841500000000, -0.0006087800000000, -0.0002564200000000 ] - [ -0.0012200600000000, -0.0003646100000000, -0.0002977700000000 ] - [ -0.0016254700000000, -0.0004172700000000, 0.0009425100000000 ] - [ -0.0001018100000000, -0.0004940500000000, 0.0002954300000000 ] - [ 0.0000603400000000, 0.0002752600000000, 0.0009146100000000 ] - [ -0.0001397300000000, 0.0005446900000000, 0.0003089500000000 ] - [ -0.0001564500000000, -0.0010683900000000, 0.0016706500000000 ] - [ 0.0002615000000000, -0.0001207400000000, 0.0008789100000000 ] - [ 0.0194407900000000, 0.0113317400000000, 0.0081183900000000 ] - [ 0.0000675900000000, 0.0001641300000000, -0.0001160500000000 ] - [ -0.0005682800000000, 0.0008216900000000, -0.0003515400000000 ] - [ -0.0005661000000000, 0.0006616800000000, 0.0002512900000000 ] - [ 0.0061565300000000, -0.0111878400000000, 0.0085849400000000 ] - [ 0.0002336100000000, -0.0002168400000000, -0.0001356000000000 ] - [ 0.0003225900000000, -0.0005748600000000, -0.0001975800000000 ] - [ -0.0009093800000000, 0.0022457300000000, -0.0008184100000000 ] - [ -0.0018224400000000, -0.0007287000000000, -0.0004860100000000 ] - [ 0.0003178000000000, 0.0002611800000000, -0.0006552500000000 ] - [ -0.0001974200000000, 0.0004746400000000, -0.0006309100000000 ] - [ -0.0002961500000000, -0.0001885000000000, 0.0006416500000000 ] - [ 0.0003260200000000, -0.0002976900000000, -0.0006288800000000 ] - [ 0.0009688600000000, -0.0025534300000000, -0.0017868100000000 ] - [ -0.0001112900000000, 0.0001354700000000, 0.0001599700000000 ] - [ -0.0004335100000000, -0.0000132900000000, -0.0002705300000000 ] - [ -0.0001234000000000, 0.0004931700000000, 0.0007763100000000 ] - [ 0.0000910400000000, 0.0001834100000000, -0.0001272800000000 ] - [ 0.0003090800000000, 0.0007649600000000, 0.0004323600000000 ]- atom: 83 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0074432000000000, -0.0009664000000000, -0.0008172900000000 ] - [ -0.0036893100000000, 0.0004083100000000, 0.0000069100000000 ] - [ -0.0006898300000000, 0.0006031100000000, 0.0000668700000000 ] - [ -0.0003683900000000, 0.0000099000000000, -0.0004994300000000 ] - [ 0.0000056700000000, -0.0000469300000000, -0.0000559700000000 ] - [ -0.0001070500000000, -0.0000729300000000, 0.0003416800000000 ] - [ 0.0000310100000000, -0.0000507100000000, 0.0005605800000000 ] - [ -0.0001768300000000, 0.0002101000000000, 0.0008218000000000 ] - [ -0.0003706800000000, -0.0000934500000000, -0.0004967200000000 ] - [ 0.0086995500000000, 0.0022061100000000, 0.0003556400000000 ] - [ -0.0006147000000000, -0.0006794800000000, -0.0000516200000000 ] - [ -0.0002068500000000, -0.0000468100000000, 0.0003501900000000 ] - [ 0.0031042300000000, -0.0012490400000000, -0.0007011200000000 ] - [ 0.0004077200000000, 0.0000178600000000, 0.0006174900000000 ] - [ 0.0000195300000000, -0.0000201300000000, 0.0000247300000000 ] - [ -0.0054627600000000, -0.0006985500000000, -0.0016408800000000 ] - [ 0.0003767500000000, -0.0000469700000000, -0.0004890500000000 ] - [ 0.0006132700000000, -0.0007021100000000, 0.0000554100000000 ] - [ -0.0009379600000000, 0.0006479600000000, -0.0002000500000000 ] - [ 0.0028640500000000, 0.0011279000000000, -0.0009985100000000 ] - [ -0.0046328900000000, -0.0015474400000000, 0.0005168000000000 ] - [ -0.0003819400000000, 0.0002064500000000, 0.0000664500000000 ] - [ 0.0001767000000000, 0.0001365500000000, 0.0003628700000000 ] - [ -0.0000473400000000, -0.0000559500000000, 0.0005097800000000 ] - [ -0.0032302300000000, 0.0009532400000000, -0.0004443400000000 ] - [ 0.0006744900000000, 0.0006161000000000, -0.0000198100000000 ] - [ -0.0003113900000000, -0.0006340900000000, 0.0002270100000000 ] - [ -0.0000931700000000, 0.0000296900000000, -0.0000456400000000 ] - [ 0.0000660600000000, -0.0000506100000000, 0.0000441300000000 ] - [ 0.0001321800000000, -0.0000915400000000, 0.0002239300000000 ] - [ 0.0001050600000000, -0.0002325000000000, -0.0007626800000000 ] - [ 0.0003628200000000, 0.0000598600000000, -0.0004880200000000 ] - [ -0.0618972400000000, -0.0135537200000000, -0.0031394700000000 ] - [ 0.0004921200000000, -0.0021056800000000, 0.0000584800000000 ] - [ 0.0003084500000000, 0.0000492800000000, -0.0004177300000000 ] - [ 0.0006556300000000, 0.0012347500000000, 0.0002605700000000 ] - [ 0.0001873000000000, -0.0006754300000000, -0.0008744300000000 ] - [ 0.0003144300000000, -0.0000667400000000, -0.0004354600000000 ] - [ -0.0005235900000000, 0.0002087200000000, -0.0003664900000000 ] - [ -0.0005080100000000, 0.0003603500000000, -0.0003567100000000 ] - [ 0.0028367300000000, 0.0072800400000000, -0.0049779600000000 ] - [ -0.0005375100000000, -0.0000507000000000, -0.0006231500000000 ] - [ -0.0003493300000000, -0.0009353500000000, -0.0013104200000000 ] - [ 0.0004974700000000, -0.0001337800000000, -0.0006155000000000 ] - [ 0.0001664600000000, 0.0005432200000000, -0.0008766400000000 ] - [ -0.0008576900000000, -0.0016127100000000, -0.0003377800000000 ] - [ -0.0009343300000000, 0.0011337000000000, -0.0011899600000000 ] - [ -0.0660259900000000, 0.0174124900000000, 0.0023185000000000 ] - [ -0.0002953200000000, -0.0001572200000000, -0.0004271000000000 ] - [ 0.0009738800000000, -0.0005837700000000, -0.0002692300000000 ] - [ 0.0003524200000000, 0.0007976200000000, -0.0011087400000000 ] - [ 0.0010234300000000, -0.0004571800000000, 0.0001171300000000 ] - [ 0.0014094200000000, -0.0094924000000000, 0.0032444300000000 ] - [ 0.0003077100000000, 0.0005877600000000, -0.0003086800000000 ] - [ -0.0003505600000000, -0.0000643900000000, -0.0004373300000000 ] - [ -0.0001917800000000, 0.0007379200000000, -0.0007888400000000 ] - [ 0.0004523200000000, -0.0001610800000000, -0.0005114600000000 ] - [ -0.0002753600000000, 0.0001485000000000, -0.0007900500000000 ] - [ -0.0001643100000000, -0.0005048000000000, -0.0008994100000000 ] - [ -0.0023621400000000, 0.0109232300000000, 0.0062585300000000 ] - [ -0.0016774800000000, -0.0085893100000000, -0.0059259200000000 ] - [ -0.0006160600000000, -0.0009396900000000, 0.0012852400000000 ] - [ -0.0008364700000000, -0.0000848300000000, 0.0000455800000000 ] - [ -0.0003280700000000, -0.0000273700000000, -0.0004353500000000 ] - [ 0.0007545900000000, -0.0000060000000000, -0.0002804900000000 ] - [ -0.0002667500000000, -0.0005327300000000, 0.0002636700000000 ] - [ -0.0001270100000000, -0.0004419800000000, 0.0008174400000000 ] - [ -0.0004561000000000, -0.0009072200000000, 0.0004276000000000 ] - [ -0.0001487800000000, 0.0000680200000000, 0.0001375500000000 ] - [ 0.0000723500000000, -0.0003202300000000, 0.0009358500000000 ] - [ 0.0003329400000000, 0.0006425700000000, -0.0001588500000000 ] - [ -0.0005125600000000, 0.0006709700000000, 0.0005679300000000 ] - [ -0.0003184100000000, -0.0002643300000000, -0.0006403300000000 ] - [ 0.0014633300000000, -0.0006872200000000, -0.0005313400000000 ] - [ 0.0000506200000000, -0.0000199200000000, 0.0001616500000000 ] - [ 0.0001952600000000, -0.0000038300000000, 0.0001125400000000 ] - [ -0.0001667800000000, -0.0000328200000000, 0.0001224000000000 ] - [ -0.0001099800000000, -0.0001588800000000, -0.0001287700000000 ] - [ -0.0004827700000000, -0.0013838300000000, -0.0005340800000000 ] - [ 0.0002588400000000, 0.0000187400000000, 0.0009148300000000 ] - [ 0.0000778200000000, -0.0002146900000000, -0.0000903400000000 ] - [ 0.0011877300000000, -0.0011657200000000, -0.0003054000000000 ] - [ 0.2444983600000000, -0.0013530000000000, 0.0001519200000000 ] - [ -0.0019479000000000, 0.0078351300000000, 0.0018816600000000 ] - [ -0.0033007100000000, -0.0105185700000000, 0.0059941800000000 ] - [ -0.0008599600000000, 0.0001568000000000, 0.0008768300000000 ] - [ 0.0003008600000000, 0.0002461200000000, 0.0006632000000000 ] - [ -0.0003385300000000, 0.0000101400000000, -0.0001957600000000 ] - [ -0.0024150800000000, -0.0004317300000000, -0.0007899300000000 ] - [ -0.0001114700000000, -0.0001862200000000, 0.0000528800000000 ] - [ -0.0005650300000000, -0.0006558600000000, 0.0002519700000000 ] - [ 0.0001167000000000, 0.0005509100000000, 0.0003092500000000 ] - [ 0.0005666500000000, -0.0006431000000000, 0.0002664600000000 ] - [ -0.0218990100000000, -0.0018795600000000, -0.0006135700000000 ] - [ -0.0008684800000000, -0.0005640200000000, -0.0002526500000000 ] - [ -0.0003590800000000, 0.0003073700000000, -0.0000548900000000 ] - [ -0.0012604900000000, -0.0017532600000000, -0.0011097900000000 ] - [ 0.0001706200000000, 0.0012023800000000, 0.0008905100000000 ] - [ 0.0006222400000000, 0.0007071900000000, 0.0007461900000000 ] - [ -0.0002965100000000, 0.0006060800000000, 0.0002798500000000 ] - [ -0.0003573200000000, 0.0001453500000000, 0.0010115100000000 ] - [ 0.0004558100000000, -0.0008247300000000, 0.0004846900000000 ] - [ -0.0001734900000000, -0.0015135300000000, 0.0005117100000000 ] - [ -0.0008766700000000, 0.0005747300000000, -0.0002556500000000 ] - [ -0.0005692300000000, 0.0003943300000000, 0.0002367000000000 ] - [ 0.0002966700000000, -0.0001608000000000, 0.0006261700000000 ] - [ 0.0000830500000000, -0.0002110200000000, -0.0001412600000000 ] - [ 0.0003633700000000, -0.0002664800000000, 0.0001792300000000 ] - [ -0.0003012700000000, 0.0004803800000000, -0.0001557000000000 ] - [ 0.0001377000000000, -0.0004862800000000, 0.0002908400000000 ] - [ -0.0171674400000000, 0.0009364000000000, 0.0137154100000000 ] - [ -0.0003263900000000, 0.0003036000000000, -0.0006508300000000 ] - [ -0.0002163600000000, -0.0003682400000000, 0.0014795300000000 ] - [ -0.0088314700000000, -0.0077254700000000, -0.0111460100000000 ] - [ -0.0003726400000000, -0.0002587500000000, -0.0000718700000000 ] - [ -0.0000444000000000, 0.0002570800000000, -0.0002178700000000 ] - [ 0.0003479200000000, 0.0000678500000000, -0.0000129900000000 ] - [ 0.0000265500000000, 0.0005228900000000, 0.0006194200000000 ] - [ 0.0002957800000000, 0.0002026500000000, -0.0001132200000000 ] - [ 0.0002379700000000, 0.0009236100000000, 0.0004746600000000 ] - [ 0.0003135200000000, -0.0007949500000000, 0.0004135200000000 ] - [ 0.0000228200000000, 0.0013460200000000, 0.0016747200000000 ] - [ -0.0001806500000000, -0.0001020700000000, 0.0011952200000000 ] - [ -0.0004199100000000, -0.0010820800000000, 0.0004854500000000 ] - [ -0.0021802400000000, -0.0020043400000000, 0.0017691500000000 ] - [ 0.0002266500000000, 0.0001693000000000, 0.0009755900000000 ] - [ 0.0000801900000000, 0.0007563100000000, -0.0005856000000000 ] - [ -0.0004653700000000, 0.0008848600000000, 0.0004413600000000 ] - [ -0.0002797500000000, -0.0005015100000000, -0.0003887300000000 ] - [ 0.0003926800000000, -0.0003042100000000, -0.0000646500000000 ] - [ 0.0000375400000000, -0.0001472200000000, 0.0001016500000000 ] - [ 0.0002149900000000, 0.0000160500000000, 0.0001728600000000 ] - [ -0.0002959300000000, 0.0001744700000000, 0.0006246000000000 ] - [ 0.0021458000000000, -0.0016188800000000, -0.0001349500000000 ] - [ -0.0003263300000000, -0.0003366500000000, -0.0002423800000000 ] - [ 0.0003565800000000, 0.0002070300000000, 0.0009150900000000 ] - [ 0.0003383200000000, -0.0021291400000000, -0.0009071800000000 ] - [ -0.0001366700000000, 0.0000299200000000, 0.0001411500000000 ] - [ 0.0008833900000000, 0.0005972500000000, -0.0002538600000000 ] - [ 0.0005655000000000, 0.0006882500000000, 0.0002563400000000 ] - [ 0.0004608100000000, 0.0009992100000000, 0.0003768800000000 ] - [ 0.0003369700000000, 0.0002684100000000, -0.0000971600000000 ] - [ -0.0113087700000000, 0.0032772700000000, 0.0125480500000000 ] - [ -0.0003840000000000, 0.0001223200000000, -0.0003991400000000 ] - [ -0.0001499700000000, 0.0002721000000000, -0.0001378900000000 ] - [ -0.0001704300000000, -0.0004063800000000, 0.0000553000000000 ] - [ -0.0004775800000000, -0.0009757500000000, 0.0004369900000000 ] - [ -0.0029997800000000, 0.0008657500000000, -0.0011645900000000 ] - [ -0.0252504800000000, 0.0137917000000000, -0.0073131300000000 ] - [ 0.0008587600000000, -0.0005404800000000, -0.0002526500000000 ] - [ -0.0005216500000000, -0.0007843200000000, -0.0002111600000000 ] - [ 0.0008920900000000, 0.0009731700000000, -0.0010772000000000 ] - [ -0.0001477100000000, -0.0005406300000000, 0.0002925800000000 ] - [ 0.0001134100000000, 0.0004244500000000, 0.0008419200000000 ] - [ -0.0001096700000000, 0.0004913600000000, 0.0002794900000000 ] - [ -0.0003951100000000, 0.0022009300000000, -0.0011419200000000 ] - [ -0.0002634300000000, 0.0001216700000000, 0.0010579600000000 ] - [ -0.0181029200000000, -0.0127903000000000, -0.0070095700000000 ] - [ 0.0001228800000000, 0.0005393000000000, -0.0001431700000000 ] - [ -0.0011725100000000, 0.0003283000000000, -0.0001572600000000 ] - [ -0.0005660400000000, 0.0006625000000000, 0.0002652800000000 ] - [ -0.0055280200000000, 0.0106636100000000, -0.0071615000000000 ] - [ 0.0000275400000000, -0.0001982900000000, -0.0001445300000000 ] - [ 0.0003013300000000, -0.0002760600000000, -0.0001774000000000 ] - [ 0.0002629000000000, -0.0013941900000000, 0.0004411700000000 ] - [ 0.0020865500000000, -0.0003080400000000, 0.0010640800000000 ] - [ 0.0003261500000000, 0.0003000800000000, -0.0006391000000000 ] - [ -0.0004407800000000, 0.0000832800000000, -0.0006657600000000 ] - [ -0.0003005800000000, -0.0002135300000000, 0.0006404700000000 ] - [ 0.0003176900000000, -0.0002623100000000, -0.0006657400000000 ] - [ -0.0017007000000000, 0.0020038300000000, 0.0016626900000000 ] - [ -0.0000770700000000, 0.0005672400000000, -0.0004188300000000 ] - [ 0.0004324400000000, 0.0000139200000000, -0.0001064800000000 ] - [ -0.0000508500000000, 0.0002063700000000, 0.0009811100000000 ] - [ 0.0001667500000000, 0.0002330400000000, -0.0001531900000000 ] - [ 0.0002454800000000, 0.0003718700000000, 0.0000935800000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012938500000000, 0.0023330400000000, -0.0012541800000000 ] - [ -0.0004678900000000, -0.0031119000000000, -0.0021500200000000 ] - [ -0.0007666300000000, 0.0000378500000000, -0.0000257100000000 ] - [ -0.0004123500000000, -0.0005405500000000, -0.0005025500000000 ] - [ -0.0000035700000000, -0.0005497700000000, 0.0000342200000000 ] - [ 0.0000122000000000, -0.0002469700000000, 0.0002905700000000 ] - [ -0.0000322700000000, -0.0002301800000000, 0.0005494300000000 ] - [ 0.0001572100000000, -0.0009861300000000, 0.0005325900000000 ] - [ -0.0003255700000000, -0.0006458600000000, -0.0004830800000000 ] - [ 0.0021553000000000, 0.0002185400000000, 0.0019600800000000 ] - [ -0.0005363200000000, -0.0012809200000000, 0.0000437300000000 ] - [ 0.0001336900000000, 0.0003391100000000, 0.0004234500000000 ] - [ 0.0016044500000000, -0.0011650700000000, -0.0012522800000000 ] - [ -0.0001406500000000, -0.0010294600000000, 0.0002851400000000 ] - [ 0.0000324500000000, -0.0007215800000000, -0.0000915400000000 ] - [ 0.0007501400000000, 0.0028385400000000, -0.0009738900000000 ] - [ 0.0003189200000000, -0.0006780100000000, -0.0004837300000000 ] - [ 0.0005903000000000, -0.0011249600000000, -0.0000629700000000 ] - [ -0.0006288100000000, 0.0012223600000000, -0.0003809600000000 ] - [ 0.0005390700000000, 0.0019450600000000, -0.0003391300000000 ] - [ 0.0012626200000000, -0.0006267500000000, 0.0006478000000000 ] - [ 0.0003245900000000, -0.0017509000000000, 0.0002766100000000 ] - [ -0.0002294900000000, -0.0009313300000000, 0.0004305500000000 ] - [ 0.0000371800000000, -0.0001913200000000, 0.0006379900000000 ] - [ -0.0010529600000000, 0.0021314900000000, 0.0000570000000000 ] - [ 0.0007031900000000, 0.0001461100000000, 0.0000996800000000 ] - [ -0.0006820900000000, -0.0001707400000000, 0.0005779300000000 ] - [ -0.0000688300000000, -0.0007574200000000, 0.0000564800000000 ] - [ 0.0000877500000000, -0.0004883200000000, -0.0000419500000000 ] - [ -0.0000372600000000, -0.0002102300000000, 0.0004213900000000 ] - [ -0.0001975900000000, 0.0004529500000000, -0.0002302800000000 ] - [ 0.0004215400000000, -0.0005786600000000, -0.0005058200000000 ] - [ 0.0215485900000000, 0.0338546700000000, -0.0007858900000000 ] - [ 0.0006885200000000, -0.0017463700000000, 0.0004882500000000 ] - [ 0.0004957500000000, -0.0013844700000000, -0.0003857700000000 ] - [ 0.0008947800000000, -0.0004117800000000, -0.0007420200000000 ] - [ 0.0002494300000000, -0.0017205300000000, -0.0005406900000000 ] - [ 0.0001302300000000, -0.0014979300000000, -0.0004956000000000 ] - [ -0.0005991100000000, 0.0006586100000000, -0.0013372400000000 ] - [ 0.0009630700000000, 0.0018538500000000, 0.0004674100000000 ] - [ -0.0004484700000000, -0.0057558900000000, 0.0036537700000000 ] - [ -0.0004891400000000, -0.0012698300000000, -0.0006852500000000 ] - [ -0.0006286300000000, 0.0003997600000000, -0.0020631700000000 ] - [ 0.0005669700000000, -0.0010301100000000, -0.0008551800000000 ] - [ 0.0001001100000000, -0.0004579400000000, -0.0011475100000000 ] - [ -0.0008964500000000, -0.0023066400000000, -0.0010891900000000 ] - [ -0.0005015300000000, -0.0003422500000000, 0.0014592100000000 ] - [ -0.0257006600000000, 0.0355000300000000, -0.0006510300000000 ] - [ -0.0001624300000000, -0.0012834200000000, -0.0005112800000000 ] - [ 0.0006006400000000, -0.0030760200000000, 0.0011958500000000 ] - [ 0.0001606900000000, 0.0021408800000000, -0.0005747900000000 ] - [ 0.0007488300000000, 0.0004677600000000, -0.0004444900000000 ] - [ 0.0003713200000000, -0.0028700500000000, 0.0015304700000000 ] - [ 0.0004580000000000, 0.0020405700000000, 0.0000526400000000 ] - [ -0.0004876500000000, -0.0012392200000000, -0.0004211000000000 ] - [ -0.0000563400000000, -0.0006915600000000, -0.0011400400000000 ] - [ 0.0003862100000000, -0.0010483900000000, -0.0002165000000000 ] - [ -0.0004818100000000, 0.0010580100000000, 0.0004082400000000 ] - [ -0.0003021000000000, -0.0018812800000000, -0.0006087900000000 ] - [ -0.0018897600000000, -0.0012328700000000, -0.0043201700000000 ] - [ 0.0019268300000000, 0.0008208000000000, -0.0037227600000000 ] - [ -0.0008794400000000, -0.0018433000000000, -0.0012604500000000 ] - [ -0.0005082200000000, -0.0006602600000000, 0.0010928000000000 ] - [ -0.0004597600000000, -0.0011584900000000, -0.0003162500000000 ] - [ 0.0003028600000000, -0.0006281000000000, -0.0006713400000000 ] - [ -0.0002750300000000, 0.0002474000000000, 0.0007608800000000 ] - [ -0.0000798400000000, 0.0001763500000000, 0.0010941400000000 ] - [ -0.0004840600000000, 0.0000329600000000, 0.0008378300000000 ] - [ -0.0000806900000000, 0.0003668200000000, 0.0000827000000000 ] - [ 0.0000447600000000, -0.0000347300000000, 0.0007700300000000 ] - [ 0.0003499200000000, 0.0011343200000000, -0.0001288000000000 ] - [ -0.0005361200000000, -0.0001612800000000, 0.0008123300000000 ] - [ -0.0002532700000000, 0.0001405500000000, -0.0006707700000000 ] - [ -0.0002826500000000, -0.0011510100000000, -0.0030844000000000 ] - [ 0.0001284700000000, -0.0000943500000000, 0.0002263300000000 ] - [ -0.0000296200000000, 0.0006130200000000, 0.0000032100000000 ] - [ -0.0003426600000000, -0.0012735600000000, 0.0001017400000000 ] - [ -0.0001288500000000, 0.0001016200000000, -0.0001605900000000 ] - [ -0.0001251300000000, 0.0002013900000000, 0.0002004900000000 ] - [ 0.0000721200000000, 0.0003635900000000, 0.0012092100000000 ] - [ 0.0000635500000000, 0.0001918800000000, 0.0001679900000000 ] - [ -0.0008100600000000, 0.0009593700000000, 0.0001636800000000 ] - [ 0.0049407100000000, -0.0733796200000000, 0.0026225300000000 ] - [ -0.0071104600000000, 0.0050158900000000, 0.0016434500000000 ] - [ 0.0096773500000000, 0.0114922200000000, -0.0058512300000000 ] - [ 0.0008638000000000, 0.0000468300000000, 0.0016039900000000 ] - [ 0.0003295700000000, 0.0008233600000000, 0.0008106800000000 ] - [ -0.0000174400000000, 0.0003047000000000, 0.0000871900000000 ] - [ 0.0008929700000000, 0.0014241700000000, -0.0006703900000000 ] - [ 0.0000355200000000, 0.0002345300000000, -0.0002228600000000 ] - [ -0.0005408200000000, -0.0000791200000000, 0.0001909300000000 ] - [ 0.0001675700000000, 0.0009487200000000, 0.0003410800000000 ] - [ 0.0005413300000000, -0.0001486000000000, 0.0001833400000000 ] - [ -0.0004161200000000, -0.0023597700000000, -0.0005332900000000 ] - [ -0.0008763400000000, -0.0001383700000000, -0.0002268600000000 ] - [ -0.0004066800000000, 0.0006722700000000, -0.0001293000000000 ] - [ -0.0000131800000000, -0.0019141700000000, -0.0004312100000000 ] - [ 0.0003866700000000, 0.0015608300000000, 0.0014823700000000 ] - [ -0.0000733200000000, -0.0000858700000000, 0.0008623400000000 ] - [ -0.0002669000000000, 0.0014377300000000, -0.0003019200000000 ] - [ 0.0000971600000000, 0.0002452000000000, 0.0007449800000000 ] - [ 0.0004818100000000, -0.0001485500000000, 0.0007489600000000 ] - [ 0.0002565400000000, 0.0025267100000000, -0.0012092800000000 ] - [ -0.0008665700000000, 0.0010026700000000, -0.0002745400000000 ] - [ -0.0005267800000000, -0.0001861200000000, 0.0000790000000000 ] - [ 0.0002659100000000, 0.0004435900000000, 0.0004482600000000 ] - [ 0.0001487800000000, 0.0002164300000000, -0.0002169200000000 ] - [ 0.0003077500000000, -0.0002907600000000, -0.0006983400000000 ] - [ -0.0003252900000000, 0.0009031600000000, -0.0003514200000000 ] - [ 0.0000958600000000, -0.0000925100000000, 0.0002429200000000 ] - [ 0.0035129900000000, -0.0042500400000000, -0.0043254200000000 ] - [ -0.0003915400000000, 0.0007047100000000, -0.0006206200000000 ] - [ -0.0003912500000000, -0.0014050000000000, 0.0010094100000000 ] - [ 0.0067770500000000, -0.0022316700000000, 0.0038880100000000 ] - [ -0.0003306000000000, 0.0000910900000000, -0.0000301000000000 ] - [ -0.0001303700000000, 0.0003496000000000, 0.0002743200000000 ] - [ -0.0001993500000000, 0.0002205900000000, -0.0004436800000000 ] - [ -0.0000558900000000, 0.0004725000000000, 0.0006461600000000 ] - [ 0.0002059800000000, 0.0001063200000000, 0.0000052300000000 ] - [ 0.0003093900000000, 0.0007627000000000, 0.0009472300000000 ] - [ 0.0002240300000000, 0.0005103500000000, 0.0004615100000000 ] - [ -0.0003450500000000, -0.0004765800000000, 0.0005864000000000 ] - [ -0.0001036500000000, -0.0003097700000000, 0.0010340500000000 ] - [ -0.0003905900000000, -0.0021426700000000, -0.0001201800000000 ] - [ 0.0003438900000000, 0.0009052200000000, 0.0006430300000000 ] - [ -0.0001285200000000, 0.0002432300000000, 0.0004022800000000 ] - [ 0.0003111000000000, 0.0002068400000000, 0.0002714800000000 ] - [ -0.0004300900000000, 0.0018398000000000, 0.0000368000000000 ] - [ -0.0004349000000000, -0.0010032300000000, -0.0007531400000000 ] - [ 0.0002989900000000, 0.0001322500000000, -0.0001131900000000 ] - [ 0.0003342000000000, 0.0005665600000000, 0.0002865600000000 ] - [ 0.0001686600000000, -0.0001168500000000, -0.0000024400000000 ] - [ -0.0003352800000000, 0.0009063000000000, 0.0008412500000000 ] - [ 0.0019901100000000, 0.0044162600000000, 0.0044245700000000 ] - [ -0.0002938800000000, 0.0000195700000000, -0.0000110900000000 ] - [ -0.0001373700000000, 0.0001721100000000, 0.0011760800000000 ] - [ 0.0003893600000000, 0.0009531800000000, 0.0015621000000000 ] - [ -0.0001964300000000, 0.0003009500000000, 0.0001597800000000 ] - [ 0.0008438800000000, 0.0009387200000000, -0.0002790200000000 ] - [ 0.0005920200000000, 0.0011614500000000, 0.0003259600000000 ] - [ 0.0004374300000000, 0.0016596900000000, 0.0001067200000000 ] - [ 0.0004323500000000, 0.0006897400000000, -0.0000190700000000 ] - [ -0.0025455100000000, -0.0037145400000000, 0.0038226700000000 ] - [ 0.0003298000000000, 0.0001639800000000, 0.0001297800000000 ] - [ -0.0001435500000000, 0.0005077500000000, -0.0001529800000000 ] - [ -0.0000446000000000, -0.0004235000000000, -0.0008177400000000 ] - [ -0.0006115800000000, -0.0015913900000000, 0.0003872200000000 ] - [ -0.0006514300000000, 0.0001638700000000, -0.0008255800000000 ] - [ -0.0159677900000000, 0.0013900500000000, -0.0028201200000000 ] - [ 0.0009001200000000, -0.0002012700000000, -0.0002349300000000 ] - [ -0.0006561000000000, -0.0011977800000000, -0.0003313200000000 ] - [ -0.0001775000000000, -0.0000854100000000, -0.0008742300000000 ] - [ -0.0000872900000000, -0.0000217100000000, 0.0001804700000000 ] - [ 0.0001016300000000, 0.0005925700000000, 0.0009467200000000 ] - [ -0.0001713700000000, 0.0010189600000000, 0.0004145300000000 ] - [ -0.0002592300000000, 0.0011203700000000, -0.0003391100000000 ] - [ 0.0002185000000000, 0.0004807600000000, 0.0006733600000000 ] - [ 0.0087163000000000, -0.0005102100000000, 0.0034534800000000 ] - [ 0.0001214100000000, 0.0009180400000000, -0.0004736300000000 ] - [ -0.0011132700000000, -0.0000861000000000, -0.0002506000000000 ] - [ -0.0005903500000000, 0.0012585300000000, 0.0003389600000000 ] - [ -0.0043961200000000, 0.0002491100000000, -0.0022166300000000 ] - [ 0.0000169400000000, -0.0003761200000000, -0.0003571400000000 ] - [ 0.0002909800000000, 0.0002719900000000, -0.0002194300000000 ] - [ 0.0003423300000000, 0.0016380200000000, -0.0010336600000000 ] - [ 0.0001052800000000, -0.0015235800000000, 0.0017063800000000 ] - [ 0.0003836900000000, 0.0006570200000000, -0.0006441400000000 ] - [ -0.0002194300000000, -0.0004520500000000, -0.0007895100000000 ] - [ -0.0002619700000000, 0.0004962700000000, 0.0004513600000000 ] - [ 0.0002612000000000, 0.0000902600000000, -0.0006550100000000 ] - [ -0.0005188800000000, -0.0009041400000000, 0.0007274000000000 ] - [ -0.0002603100000000, 0.0008894000000000, 0.0000759800000000 ] - [ 0.0000002000000000, 0.0004217200000000, -0.0005166800000000 ] - [ -0.0000645500000000, 0.0010150900000000, 0.0006066600000000 ] - [ 0.0001290700000000, 0.0005093300000000, -0.0000408300000000 ] - [ 0.0003106600000000, 0.0016446000000000, 0.0000381700000000 ]- atom: 83 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020291600000000, -0.0024309000000000, 0.0002588600000000 ] - [ 0.0017760700000000, 0.0018219000000000, 0.0021883800000000 ] - [ -0.0005246900000000, 0.0012543400000000, 0.0000539200000000 ] - [ -0.0003266600000000, 0.0006395800000000, -0.0004827600000000 ] - [ 0.0000800800000000, 0.0005230900000000, -0.0000496600000000 ] - [ -0.0000120400000000, 0.0002450400000000, 0.0003192000000000 ] - [ 0.0000320100000000, 0.0002281900000000, 0.0005563600000000 ] - [ -0.0001571300000000, 0.0009845000000000, 0.0005720800000000 ] - [ -0.0004132200000000, 0.0005431000000000, -0.0005021700000000 ] - [ -0.0008529900000000, 0.0010853800000000, -0.0019222300000000 ] - [ -0.0007550100000000, -0.0000148900000000, -0.0000156000000000 ] - [ -0.0002109200000000, -0.0003156900000000, -0.0004373700000000 ] - [ -0.0015488600000000, 0.0011949800000000, 0.0012454800000000 ] - [ 0.0001406500000000, 0.0010299600000000, 0.0003248600000000 ] - [ -0.0001091500000000, 0.0006947300000000, 0.0000761700000000 ] - [ -0.0000113700000000, -0.0027277400000000, -0.0000257300000000 ] - [ 0.0004198400000000, 0.0005752900000000, -0.0005018900000000 ] - [ 0.0007011000000000, -0.0001703100000000, 0.0000903700000000 ] - [ -0.0006612100000000, 0.0000745400000000, 0.0004095900000000 ] - [ -0.0012824700000000, -0.0018420200000000, -0.0006407000000000 ] - [ -0.0011833100000000, 0.0007773900000000, -0.0007673100000000 ] - [ -0.0003196200000000, 0.0017414500000000, 0.0003358700000000 ] - [ 0.0002265600000000, 0.0009277900000000, 0.0006746100000000 ] - [ -0.0000369700000000, 0.0001910700000000, 0.0004686000000000 ] - [ 0.0003144600000000, -0.0022324600000000, -0.0010304100000000 ] - [ 0.0005885400000000, 0.0011462700000000, -0.0000718300000000 ] - [ -0.0006078600000000, -0.0011252000000000, -0.0005485100000000 ] - [ -0.0000072700000000, 0.0007797000000000, -0.0000715000000000 ] - [ -0.0000109500000000, 0.0005118300000000, 0.0000263700000000 ] - [ 0.0000368700000000, 0.0002098800000000, 0.0001897900000000 ] - [ 0.0001197700000000, -0.0004741800000000, 0.0002188400000000 ] - [ 0.0003176500000000, 0.0006776600000000, -0.0004797100000000 ] - [ -0.0224752300000000, -0.0335776000000000, -0.0000909600000000 ] - [ 0.0008072200000000, -0.0001203500000000, -0.0004006400000000 ] - [ 0.0001269800000000, 0.0015065500000000, -0.0004715200000000 ] - [ 0.0006014300000000, 0.0022670200000000, 0.0008297100000000 ] - [ 0.0001029600000000, 0.0005001600000000, -0.0011881500000000 ] - [ 0.0004915400000000, 0.0013681700000000, -0.0003619800000000 ] - [ -0.0003582900000000, -0.0006622900000000, 0.0002244900000000 ] - [ -0.0013031700000000, -0.0006327900000000, -0.0021950500000000 ] - [ 0.0014037000000000, 0.0057671300000000, -0.0047766400000000 ] - [ -0.0004688400000000, 0.0012675000000000, -0.0004265200000000 ] - [ 0.0002751100000000, -0.0016192400000000, 0.0003324600000000 ] - [ 0.0003909800000000, 0.0010279800000000, -0.0002560400000000 ] - [ 0.0002518700000000, 0.0016720800000000, -0.0005828700000000 ] - [ -0.0005992400000000, 0.0004441200000000, 0.0011776400000000 ] - [ -0.0009949100000000, 0.0021984700000000, -0.0013726200000000 ] - [ 0.0255235800000000, -0.0350048400000000, -0.0002156000000000 ] - [ -0.0004593300000000, 0.0011541100000000, -0.0003465300000000 ] - [ 0.0008973000000000, 0.0012015000000000, -0.0011013900000000 ] - [ 0.0004609100000000, -0.0020096100000000, -0.0002803300000000 ] - [ 0.0007459900000000, 0.0013970300000000, 0.0005298700000000 ] - [ -0.0000217200000000, 0.0016258300000000, -0.0032602100000000 ] - [ 0.0001644400000000, -0.0021614900000000, -0.0009037700000000 ] - [ -0.0004703100000000, 0.0012351700000000, -0.0006897800000000 ] - [ -0.0002954800000000, 0.0019057000000000, -0.0005907500000000 ] - [ 0.0005709600000000, 0.0010444600000000, -0.0008931700000000 ] - [ -0.0004769300000000, -0.0010500200000000, -0.0015144600000000 ] - [ -0.0000504700000000, 0.0006598700000000, -0.0011203700000000 ] - [ 0.0028407500000000, 0.0012447200000000, 0.0032015100000000 ] - [ -0.0015604000000000, 0.0004389100000000, 0.0019926200000000 ] - [ -0.0006168600000000, -0.0000163900000000, 0.0013392300000000 ] - [ -0.0009899700000000, 0.0025180100000000, -0.0010061000000000 ] - [ -0.0001627500000000, 0.0012810600000000, -0.0005409800000000 ] - [ 0.0002544000000000, -0.0005108500000000, 0.0011947700000000 ] - [ -0.0002787700000000, -0.0013821100000000, -0.0002339200000000 ] - [ -0.0000926800000000, -0.0008748100000000, 0.0006612900000000 ] - [ -0.0004330200000000, -0.0018390000000000, 0.0000272100000000 ] - [ -0.0002138300000000, -0.0003113400000000, 0.0001877800000000 ] - [ 0.0001279200000000, -0.0006636200000000, 0.0009853200000000 ] - [ 0.0002737700000000, -0.0002828500000000, -0.0002472000000000 ] - [ -0.0003809700000000, 0.0019677800000000, 0.0000511500000000 ] - [ -0.0003898800000000, -0.0007004100000000, -0.0006233200000000 ] - [ 0.0009988500000000, 0.0005739700000000, 0.0028961500000000 ] - [ 0.0001668500000000, 0.0000405400000000, 0.0000449800000000 ] - [ 0.0003242600000000, -0.0005579800000000, 0.0002670400000000 ] - [ -0.0002556000000000, 0.0016683000000000, 0.0011757200000000 ] - [ -0.0001299600000000, -0.0005144600000000, -0.0001212400000000 ] - [ -0.0005020700000000, -0.0010479200000000, -0.0005744500000000 ] - [ -0.0000731000000000, -0.0003631500000000, 0.0007294500000000 ] - [ 0.0001265900000000, -0.0008925400000000, -0.0004254000000000 ] - [ 0.0005174000000000, -0.0010117600000000, 0.0001094500000000 ] - [ -0.0032744200000000, 0.0737647800000000, -0.0030973700000000 ] - [ 0.0083801400000000, -0.0038189000000000, -0.0011653200000000 ] - [ -0.0089194900000000, -0.0098754200000000, 0.0068224000000000 ] - [ -0.0001323400000000, 0.0005265900000000, -0.0017506700000000 ] - [ 0.0002674000000000, -0.0004197800000000, 0.0004721200000000 ] - [ 0.0000177900000000, -0.0003042600000000, -0.0004646800000000 ] - [ -0.0011605100000000, -0.0010213700000000, 0.0003916400000000 ] - [ -0.0002257000000000, -0.0009345200000000, -0.0000335800000000 ] - [ -0.0005914900000000, -0.0012423500000000, 0.0003253000000000 ] - [ 0.0000846900000000, 0.0000871700000000, 0.0002488900000000 ] - [ 0.0005911200000000, -0.0011729800000000, 0.0003330000000000 ] - [ 0.0021572000000000, 0.0012146200000000, 0.0000196200000000 ] - [ -0.0008665400000000, -0.0010104100000000, -0.0002824000000000 ] - [ -0.0003188100000000, -0.0001026100000000, -0.0000144100000000 ] - [ -0.0002401000000000, 0.0008685300000000, 0.0010175600000000 ] - [ -0.0002142400000000, -0.0008647500000000, 0.0002720800000000 ] - [ -0.0001799700000000, 0.0011239000000000, -0.0002720800000000 ] - [ -0.0002869000000000, -0.0002994300000000, 0.0008263500000000 ] - [ -0.0000980700000000, -0.0002443700000000, 0.0011933000000000 ] - [ 0.0004350600000000, -0.0016576900000000, 0.0001162700000000 ] - [ -0.0000672500000000, -0.0018309000000000, 0.0009533300000000 ] - [ -0.0008763000000000, 0.0001479200000000, -0.0002348800000000 ] - [ -0.0006054800000000, 0.0015071700000000, 0.0004368600000000 ] - [ 0.0003309600000000, -0.0008448200000000, 0.0008335600000000 ] - [ 0.0001102200000000, -0.0006290600000000, -0.0000646300000000 ] - [ 0.0003156200000000, -0.0005591600000000, 0.0003247200000000 ] - [ -0.0002982500000000, -0.0000505500000000, -0.0000246200000000 ] - [ 0.0001560100000000, -0.0009420500000000, 0.0003466900000000 ] - [ -0.0029042000000000, 0.0047893200000000, 0.0030159100000000 ] - [ -0.0002520600000000, -0.0001436500000000, -0.0006727400000000 ] - [ -0.0002060800000000, 0.0010015000000000, 0.0002741100000000 ] - [ -0.0061556900000000, 0.0016918700000000, -0.0052065200000000 ] - [ -0.0003947600000000, -0.0006594900000000, -0.0001133200000000 ] - [ -0.0000599400000000, 0.0003533600000000, -0.0005319400000000 ] - [ 0.0002002700000000, -0.0002199400000000, 0.0000661200000000 ] - [ -0.0001167200000000, 0.0002279100000000, 0.0011085100000000 ] - [ 0.0000532200000000, 0.0003076200000000, -0.0002863300000000 ] - [ 0.0002445200000000, 0.0003755700000000, -0.0004243200000000 ] - [ 0.0003294000000000, -0.0016451800000000, 0.0000658200000000 ] - [ -0.0002098600000000, -0.0006689500000000, -0.0000638700000000 ] - [ -0.0000690800000000, -0.0003914000000000, 0.0007206100000000 ] - [ -0.0005259400000000, 0.0003288600000000, 0.0009809300000000 ] - [ -0.0006336400000000, -0.0008442800000000, -0.0003685600000000 ] - [ 0.0003119700000000, -0.0009581800000000, 0.0013438800000000 ] - [ 0.0003135500000000, 0.0006392500000000, -0.0006442200000000 ] - [ -0.0004867200000000, -0.0000301200000000, 0.0008263900000000 ] - [ -0.0002089900000000, 0.0004414300000000, -0.0005441600000000 ] - [ 0.0004266500000000, -0.0007005700000000, -0.0000297100000000 ] - [ -0.0000378700000000, -0.0006195000000000, -0.0000152100000000 ] - [ 0.0001263600000000, 0.0001700700000000, 0.0002723400000000 ] - [ -0.0002615800000000, -0.0005023600000000, 0.0004417600000000 ] - [ -0.0022166900000000, -0.0047480200000000, -0.0046224400000000 ] - [ -0.0003294100000000, -0.0008706500000000, -0.0003634000000000 ] - [ 0.0001354500000000, -0.0001729700000000, 0.0007635800000000 ] - [ -0.0001963300000000, -0.0016480500000000, -0.0018069100000000 ] - [ -0.0000986200000000, -0.0003554800000000, 0.0001110500000000 ] - [ 0.0008990100000000, 0.0002115400000000, -0.0002302900000000 ] - [ 0.0005408300000000, 0.0001618900000000, 0.0001906500000000 ] - [ 0.0004792700000000, 0.0001496500000000, 0.0007569500000000 ] - [ 0.0002937100000000, -0.0001200700000000, -0.0001237000000000 ] - [ 0.0031795300000000, 0.0040704700000000, -0.0025481400000000 ] - [ -0.0003259800000000, -0.0001645200000000, -0.0005046200000000 ] - [ -0.0001152400000000, -0.0000940200000000, -0.0001289900000000 ] - [ -0.0001453100000000, -0.0002794400000000, 0.0005551500000000 ] - [ -0.0005210100000000, 0.0002662100000000, 0.0001280400000000 ] - [ 0.0009040700000000, 0.0008763600000000, 0.0014143200000000 ] - [ 0.0168847400000000, -0.0026780400000000, 0.0032945000000000 ] - [ 0.0008428000000000, -0.0009481600000000, -0.0002741600000000 ] - [ -0.0010864400000000, 0.0000464500000000, -0.0001789200000000 ] - [ -0.0005489700000000, 0.0006568800000000, 0.0007301200000000 ] - [ -0.0001646800000000, -0.0010128700000000, 0.0004091400000000 ] - [ 0.0000710600000000, 0.0001062600000000, 0.0008086100000000 ] - [ -0.0000808500000000, 0.0000174600000000, 0.0001754300000000 ] - [ -0.0002941200000000, 0.0000222600000000, 0.0008615800000000 ] - [ -0.0002137400000000, -0.0004784800000000, 0.0012638100000000 ] - [ -0.0077043100000000, -0.0012412000000000, -0.0025246100000000 ] - [ 0.0000690200000000, -0.0002152500000000, 0.0002146600000000 ] - [ -0.0006303200000000, 0.0012341400000000, -0.0002596500000000 ] - [ -0.0005422400000000, 0.0000654300000000, 0.0001777900000000 ] - [ 0.0050263300000000, -0.0006274400000000, 0.0035434900000000 ] - [ 0.0002408300000000, -0.0000386900000000, 0.0000743100000000 ] - [ 0.0003330500000000, -0.0011227400000000, -0.0001553900000000 ] - [ -0.0009609300000000, -0.0007675400000000, 0.0006461200000000 ] - [ 0.0001442100000000, 0.0004799600000000, -0.0011132400000000 ] - [ 0.0002601700000000, -0.0000959700000000, -0.0006492400000000 ] - [ -0.0004232300000000, 0.0010101500000000, -0.0005068100000000 ] - [ -0.0003348200000000, -0.0008976200000000, 0.0008306300000000 ] - [ 0.0003822800000000, -0.0006500500000000, -0.0006387100000000 ] - [ -0.0002016200000000, 0.0003228700000000, -0.0008751200000000 ] - [ 0.0000694200000000, -0.0001876300000000, -0.0003313800000000 ] - [ -0.0000014400000000, -0.0004207700000000, 0.0001388200000000 ] - [ -0.0001084800000000, -0.0003129000000000, 0.0011471500000000 ] - [ 0.0001297300000000, -0.0000967400000000, -0.0002405200000000 ] - [ 0.0002431000000000, -0.0005040300000000, 0.0004879600000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001013800000000, -0.0002028500000000, -0.0033535600000000 ] - [ 0.0004656100000000, -0.0024144700000000, 0.0013197300000000 ] - [ -0.0006493500000000, 0.0006131700000000, 0.0001102700000000 ] - [ -0.0003722200000000, 0.0000859300000000, -0.0004689800000000 ] - [ 0.0000294500000000, 0.0000792200000000, -0.0000923800000000 ] - [ 0.0000617700000000, -0.0001220700000000, 0.0000009700000000 ] - [ -0.0000327100000000, -0.0001632100000000, 0.0003411100000000 ] - [ -0.0000437700000000, 0.0003228300000000, 0.0008399000000000 ] - [ -0.0003788800000000, -0.0000118200000000, -0.0004702100000000 ] - [ 0.0003502800000000, 0.0019938700000000, 0.0011860500000000 ] - [ -0.0006602800000000, -0.0005337600000000, 0.0001160700000000 ] - [ -0.0000081400000000, 0.0001566900000000, -0.0009246500000000 ] - [ 0.0003594900000000, -0.0009897100000000, 0.0010133100000000 ] - [ 0.0000829200000000, 0.0002295900000000, 0.0006869300000000 ] - [ -0.0000548100000000, -0.0000532700000000, 0.0000807300000000 ] - [ 0.0005102500000000, -0.0005604300000000, -0.0037216100000000 ] - [ 0.0003648000000000, -0.0000188200000000, -0.0005170300000000 ] - [ 0.0006439100000000, -0.0006860200000000, -0.0000820200000000 ] - [ -0.0007908600000000, 0.0003958000000000, -0.0010132800000000 ] - [ -0.0002239000000000, -0.0000369500000000, -0.0022880800000000 ] - [ -0.0001635300000000, -0.0001125000000000, 0.0028025100000000 ] - [ 0.0001046100000000, -0.0002500800000000, 0.0007376900000000 ] - [ -0.0000341600000000, -0.0001887200000000, 0.0008548500000000 ] - [ -0.0000477300000000, 0.0002217400000000, 0.0002983900000000 ] - [ -0.0000765600000000, 0.0005302700000000, -0.0035366300000000 ] - [ 0.0006394700000000, 0.0007322000000000, -0.0000787800000000 ] - [ -0.0007207300000000, -0.0004865200000000, -0.0008921500000000 ] - [ -0.0000516500000000, 0.0001433100000000, 0.0000833700000000 ] - [ 0.0000225900000000, -0.0000288200000000, -0.0001002100000000 ] - [ 0.0000767600000000, 0.0001760100000000, -0.0000563600000000 ] - [ 0.0000188500000000, -0.0002400100000000, -0.0010675300000000 ] - [ 0.0003605300000000, 0.0000797800000000, -0.0005155600000000 ] - [ 0.0052613600000000, 0.0000490200000000, 0.0168084500000000 ] - [ 0.0008891700000000, 0.0000830800000000, -0.0003991900000000 ] - [ 0.0002891200000000, 0.0001807100000000, -0.0003018800000000 ] - [ 0.0007659500000000, 0.0003526700000000, 0.0001595200000000 ] - [ 0.0001660900000000, -0.0003994100000000, -0.0009898300000000 ] - [ 0.0003058800000000, -0.0000262500000000, -0.0002977900000000 ] - [ -0.0005431500000000, -0.0005634600000000, -0.0013520200000000 ] - [ -0.0009184200000000, 0.0014163800000000, -0.0022488200000000 ] - [ 0.0008998200000000, 0.0025572000000000, -0.0017626400000000 ] - [ -0.0004974000000000, 0.0003066600000000, -0.0004252700000000 ] - [ -0.0004079000000000, -0.0013852100000000, -0.0018510100000000 ] - [ 0.0004736100000000, -0.0001585000000000, -0.0006701000000000 ] - [ 0.0001741400000000, 0.0005465000000000, -0.0009407800000000 ] - [ -0.0006814900000000, -0.0017355900000000, 0.0003264600000000 ] - [ -0.0007970400000000, 0.0014443700000000, -0.0003268000000000 ] - [ -0.0063345200000000, 0.0011801300000000, 0.0166008100000000 ] - [ -0.0003315200000000, 0.0000407900000000, -0.0005474300000000 ] - [ 0.0007858500000000, 0.0002249600000000, 0.0000300200000000 ] - [ 0.0002970900000000, 0.0001285400000000, -0.0028446100000000 ] - [ 0.0008849700000000, -0.0000280900000000, -0.0004089600000000 ] - [ 0.0000020800000000, 0.0045909300000000, -0.0019975700000000 ] - [ 0.0002470200000000, -0.0004245000000000, -0.0030563500000000 ] - [ -0.0004902700000000, -0.0002101400000000, -0.0004087900000000 ] - [ -0.0001896600000000, 0.0008111700000000, -0.0007563500000000 ] - [ 0.0004827800000000, 0.0003176100000000, -0.0007224300000000 ] - [ -0.0004821800000000, 0.0004449100000000, -0.0015532000000000 ] - [ -0.0001797300000000, -0.0006892200000000, -0.0007713100000000 ] - [ -0.0002282600000000, -0.0026358200000000, -0.0011768100000000 ] - [ 0.0013454100000000, -0.0046286300000000, -0.0020724000000000 ] - [ -0.0007650600000000, -0.0013522300000000, -0.0001596000000000 ] - [ -0.0007165300000000, 0.0020458200000000, 0.0003884100000000 ] - [ -0.0003123900000000, 0.0001014100000000, -0.0005588800000000 ] - [ 0.0003599300000000, -0.0016019800000000, -0.0000979200000000 ] - [ -0.0002773300000000, -0.0004532400000000, 0.0002619500000000 ] - [ -0.0000490100000000, -0.0002047900000000, 0.0006079200000000 ] - [ -0.0004631500000000, -0.0010233600000000, 0.0003131200000000 ] - [ -0.0001560000000000, 0.0000537900000000, 0.0001943000000000 ] - [ 0.0001319900000000, -0.0004676700000000, 0.0010887700000000 ] - [ 0.0003123500000000, 0.0005536300000000, -0.0002253600000000 ] - [ -0.0004571500000000, 0.0008807600000000, 0.0010823600000000 ] - [ -0.0003246100000000, -0.0003127200000000, -0.0007092800000000 ] - [ 0.0011641000000000, -0.0010850500000000, 0.0017697800000000 ] - [ 0.0002016100000000, 0.0002563800000000, 0.0005273400000000 ] - [ 0.0001728500000000, -0.0000697000000000, 0.0000873900000000 ] - [ -0.0001953500000000, 0.0004776600000000, 0.0020675900000000 ] - [ -0.0000730300000000, -0.0002205000000000, -0.0000295200000000 ] - [ -0.0002914900000000, 0.0000479800000000, -0.0002545000000000 ] - [ 0.0000260000000000, 0.0001800400000000, 0.0008307200000000 ] - [ 0.0000977800000000, -0.0000858800000000, 0.0000284300000000 ] - [ 0.0001580300000000, -0.0007151500000000, -0.0003813500000000 ] - [ 0.0006337700000000, 0.0031958700000000, -0.0363310100000000 ] - [ -0.0011999400000000, 0.0025924700000000, -0.0016856300000000 ] - [ -0.0035008000000000, -0.0047564500000000, 0.0001168500000000 ] - [ 0.0011592200000000, 0.0017864800000000, 0.0007711000000000 ] - [ 0.0002986900000000, 0.0001969100000000, 0.0006776000000000 ] - [ -0.0000540600000000, 0.0001525100000000, -0.0002197900000000 ] - [ -0.0008836200000000, -0.0004382700000000, -0.0008566300000000 ] - [ -0.0001036600000000, -0.0006943300000000, -0.0002883800000000 ] - [ -0.0005694400000000, -0.0006719900000000, 0.0002230300000000 ] - [ 0.0001159900000000, 0.0004486800000000, 0.0002928300000000 ] - [ 0.0005685000000000, -0.0007099200000000, 0.0002975700000000 ] - [ 0.0012266100000000, -0.0002957300000000, -0.0023535000000000 ] - [ -0.0008700400000000, -0.0006068400000000, -0.0002881800000000 ] - [ -0.0003447200000000, 0.0002160900000000, -0.0000612700000000 ] - [ -0.0004768600000000, -0.0018225900000000, 0.0012052000000000 ] - [ 0.0000469000000000, 0.0005839600000000, 0.0004490700000000 ] - [ -0.0003031900000000, 0.0013980300000000, 0.0008095900000000 ] - [ -0.0002783500000000, 0.0003277700000000, 0.0003189800000000 ] - [ 0.0001014000000000, -0.0001775900000000, 0.0011517100000000 ] - [ 0.0004493400000000, -0.0008828100000000, 0.0005023600000000 ] - [ 0.0000441400000000, -0.0001510900000000, -0.0000092300000000 ] - [ -0.0008730700000000, 0.0005603900000000, -0.0002851600000000 ] - [ -0.0006829800000000, 0.0009526000000000, 0.0009471000000000 ] - [ 0.0003024700000000, -0.0002757000000000, 0.0007033600000000 ] - [ 0.0001865300000000, -0.0002291700000000, -0.0002584700000000 ] - [ 0.0003352100000000, -0.0006863300000000, -0.0000140400000000 ] - [ -0.0003143800000000, 0.0002839800000000, -0.0001246900000000 ] - [ 0.0001217700000000, -0.0005038000000000, 0.0002993800000000 ] - [ -0.0112694100000000, 0.0007720800000000, 0.0028523600000000 ] - [ -0.0003173100000000, 0.0002636800000000, -0.0007075900000000 ] - [ -0.0004239800000000, -0.0002176200000000, 0.0017765000000000 ] - [ 0.0103802000000000, 0.0052071700000000, 0.0035834200000000 ] - [ -0.0003508900000000, -0.0002669300000000, -0.0000680700000000 ] - [ -0.0001087900000000, 0.0005157400000000, -0.0000815900000000 ] - [ -0.0000919300000000, -0.0001532700000000, -0.0001024800000000 ] - [ -0.0001878700000000, 0.0002715900000000, 0.0013651700000000 ] - [ 0.0001456400000000, 0.0004844500000000, 0.0003671900000000 ] - [ 0.0003778000000000, 0.0015162200000000, -0.0001221700000000 ] - [ 0.0002830500000000, -0.0008033600000000, 0.0002426500000000 ] - [ -0.0002204700000000, 0.0007985200000000, 0.0011629900000000 ] - [ -0.0001847700000000, -0.0002779500000000, 0.0013926800000000 ] - [ -0.0004940300000000, -0.0006696500000000, 0.0011949000000000 ] - [ 0.0000250300000000, 0.0005297900000000, -0.0004941800000000 ] - [ 0.0000234000000000, -0.0005333800000000, 0.0002167100000000 ] - [ 0.0002961200000000, 0.0006974200000000, -0.0000719300000000 ] - [ -0.0004670000000000, 0.0009338800000000, 0.0003430300000000 ] - [ -0.0003910600000000, -0.0002458900000000, 0.0004706700000000 ] - [ 0.0003764400000000, -0.0003473800000000, -0.0000700000000000 ] - [ 0.0001494900000000, 0.0000048800000000, 0.0000637000000000 ] - [ 0.0001758300000000, -0.0002791500000000, 0.0006021500000000 ] - [ -0.0002944200000000, 0.0001342600000000, 0.0005880300000000 ] - [ -0.0004690500000000, 0.0015387400000000, -0.0017124500000000 ] - [ -0.0003173900000000, -0.0003149100000000, -0.0001288300000000 ] - [ 0.0001000300000000, 0.0001656200000000, 0.0011471700000000 ] - [ 0.0000757800000000, -0.0001597500000000, -0.0001025000000000 ] - [ -0.0001482300000000, -0.0001025600000000, 0.0001981100000000 ] - [ 0.0008712600000000, 0.0005557700000000, -0.0002245100000000 ] - [ 0.0005653100000000, 0.0006554900000000, 0.0002924700000000 ] - [ 0.0004512100000000, 0.0007843900000000, 0.0005502700000000 ] - [ 0.0003698300000000, 0.0003092300000000, -0.0000774800000000 ] - [ -0.0094476600000000, 0.0017965200000000, 0.0047632200000000 ] - [ -0.0001263000000000, 0.0001449800000000, -0.0001266900000000 ] - [ -0.0000640900000000, 0.0001799900000000, -0.0000129500000000 ] - [ -0.0001179100000000, -0.0005333200000000, 0.0000337900000000 ] - [ -0.0007126400000000, -0.0009379200000000, 0.0010683800000000 ] - [ 0.0011332800000000, -0.0008491100000000, 0.0012319600000000 ] - [ 0.0056530000000000, -0.0014915600000000, -0.0023388800000000 ] - [ 0.0008701500000000, -0.0005991500000000, -0.0002265600000000 ] - [ -0.0008284200000000, -0.0005043100000000, 0.0003732400000000 ] - [ -0.0005687900000000, -0.0003483600000000, 0.0004950200000000 ] - [ -0.0001313000000000, -0.0005842100000000, 0.0003030500000000 ] - [ 0.0001370300000000, 0.0004491500000000, 0.0011139800000000 ] - [ -0.0001260400000000, 0.0005376700000000, 0.0002897000000000 ] - [ -0.0002093500000000, -0.0007897900000000, 0.0013263300000000 ] - [ -0.0000740300000000, -0.0002875500000000, 0.0008467500000000 ] - [ 0.0044415300000000, 0.0003957500000000, -0.0019076400000000 ] - [ 0.0000941800000000, -0.0000255100000000, 0.0000920400000000 ] - [ -0.0007753400000000, 0.0005837900000000, 0.0003433900000000 ] - [ -0.0005664000000000, 0.0006028500000000, 0.0002110300000000 ] - [ 0.0082475100000000, -0.0081680700000000, 0.0048697600000000 ] - [ 0.0001986100000000, -0.0004970200000000, 0.0004745500000000 ] - [ 0.0003054500000000, -0.0006357300000000, -0.0002424400000000 ] - [ -0.0004912800000000, -0.0004609500000000, -0.0000676600000000 ] - [ -0.0000675900000000, 0.0006973700000000, 0.0016663500000000 ] - [ 0.0003184800000000, 0.0002505300000000, -0.0005860200000000 ] - [ -0.0002144500000000, 0.0002770200000000, 0.0004449300000000 ] - [ -0.0002982600000000, -0.0002030900000000, 0.0006036800000000 ] - [ 0.0003252300000000, -0.0002897600000000, -0.0005816700000000 ] - [ -0.0006994100000000, 0.0008401400000000, 0.0009422000000000 ] - [ -0.0001070500000000, 0.0006932300000000, -0.0003164200000000 ] - [ -0.0000510900000000, -0.0002581100000000, -0.0001879000000000 ] - [ -0.0000043400000000, 0.0001153400000000, 0.0005279100000000 ] - [ 0.0002020100000000, 0.0001685200000000, -0.0002889900000000 ] - [ 0.0002771100000000, 0.0007140300000000, 0.0002589000000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0008390100000000, 0.0001105300000000, 0.0023708600000000 ] - [ 0.0008190500000000, 0.0011172900000000, -0.0013040700000000 ] - [ -0.0006420100000000, 0.0006772700000000, -0.0000852800000000 ] - [ -0.0003659900000000, 0.0000116100000000, -0.0005157500000000 ] - [ 0.0000494700000000, -0.0001064200000000, 0.0000775100000000 ] - [ -0.0000616000000000, 0.0001219100000000, 0.0006086800000000 ] - [ 0.0000325100000000, 0.0001630500000000, 0.0007648800000000 ] - [ 0.0000442500000000, -0.0003253200000000, 0.0002663000000000 ] - [ -0.0003590300000000, -0.0000887300000000, -0.0005143300000000 ] - [ 0.0009485700000000, -0.0007014200000000, -0.0011622300000000 ] - [ -0.0006310100000000, -0.0007594000000000, -0.0000914200000000 ] - [ -0.0000704400000000, -0.0001282600000000, 0.0009103200000000 ] - [ -0.0002725000000000, 0.0010106400000000, -0.0010343100000000 ] - [ -0.0000834000000000, -0.0002326300000000, -0.0000764600000000 ] - [ -0.0000242800000000, 0.0000250200000000, -0.0000959700000000 ] - [ 0.0002263600000000, 0.0006623000000000, 0.0027128500000000 ] - [ 0.0003728900000000, -0.0000815600000000, -0.0004676700000000 ] - [ 0.0006471700000000, -0.0006074800000000, 0.0001065000000000 ] - [ -0.0005013900000000, 0.0008959700000000, 0.0010351900000000 ] - [ -0.0005135600000000, 0.0001414000000000, 0.0013016000000000 ] - [ 0.0002362100000000, 0.0001328000000000, -0.0028165200000000 ] - [ -0.0001034900000000, 0.0002497900000000, -0.0001270600000000 ] - [ 0.0000330000000000, 0.0001866300000000, 0.0002513900000000 ] - [ 0.0000478100000000, -0.0002229700000000, 0.0008082100000000 ] - [ -0.0006596600000000, -0.0006210000000000, 0.0025448900000000 ] - [ 0.0006519500000000, 0.0005592400000000, 0.0001034800000000 ] - [ -0.0005706800000000, -0.0008039400000000, 0.0009177200000000 ] - [ -0.0000271000000000, -0.0001183200000000, -0.0000983400000000 ] - [ 0.0000565900000000, 0.0000535700000000, 0.0000852600000000 ] - [ -0.0000766400000000, -0.0001772200000000, 0.0006668800000000 ] - [ -0.0000980700000000, 0.0002142500000000, 0.0010533300000000 ] - [ 0.0003776300000000, 0.0000177100000000, -0.0004685500000000 ] - [ -0.0055947000000000, 0.0000440900000000, -0.0176413300000000 ] - [ 0.0006057200000000, -0.0019423800000000, 0.0004887000000000 ] - [ 0.0003331000000000, -0.0000570000000000, -0.0005581400000000 ] - [ 0.0007292600000000, 0.0015043400000000, -0.0000740700000000 ] - [ 0.0001885900000000, -0.0008204300000000, -0.0007362600000000 ] - [ 0.0003155000000000, -0.0001037800000000, -0.0005625400000000 ] - [ -0.0004117600000000, 0.0005647800000000, 0.0002364600000000 ] - [ 0.0005708300000000, -0.0002000900000000, 0.0005241200000000 ] - [ 0.0000540200000000, -0.0025816500000000, 0.0006641200000000 ] - [ -0.0004588900000000, -0.0003069000000000, -0.0006883500000000 ] - [ 0.0000478400000000, 0.0001731000000000, 0.0001180900000000 ] - [ 0.0004826500000000, 0.0001588100000000, -0.0004441200000000 ] - [ 0.0001801900000000, 0.0006684500000000, -0.0007866400000000 ] - [ -0.0008140000000000, -0.0001280600000000, -0.0002441300000000 ] - [ -0.0006965100000000, 0.0004121600000000, 0.0004212700000000 ] - [ 0.0053758800000000, -0.0007780000000000, -0.0174567600000000 ] - [ -0.0002898000000000, -0.0001705800000000, -0.0003128300000000 ] - [ 0.0007098200000000, -0.0020903400000000, 0.0000588800000000 ] - [ 0.0003232400000000, 0.0000032200000000, 0.0019853100000000 ] - [ 0.0006092000000000, 0.0018858900000000, 0.0004971600000000 ] - [ 0.0003505200000000, -0.0058065300000000, 0.0002721500000000 ] - [ 0.0003765200000000, 0.0003037700000000, 0.0021990800000000 ] - [ -0.0004653900000000, 0.0002050500000000, -0.0007041800000000 ] - [ -0.0001643800000000, 0.0004031900000000, -0.0009712300000000 ] - [ 0.0004726900000000, -0.0003230800000000, -0.0003900700000000 ] - [ -0.0004746200000000, -0.0004429100000000, 0.0004419800000000 ] - [ -0.0001749400000000, -0.0005308000000000, -0.0009550400000000 ] - [ 0.0011899200000000, 0.0026316800000000, 0.0000691600000000 ] - [ -0.0009850800000000, 0.0058474800000000, 0.0003540600000000 ] - [ -0.0007293900000000, -0.0005098600000000, 0.0002470400000000 ] - [ -0.0007808700000000, -0.0001896900000000, -0.0003038000000000 ] - [ -0.0003096900000000, 0.0000227900000000, -0.0003008600000000 ] - [ 0.0001966200000000, 0.0004631000000000, 0.0006215900000000 ] - [ -0.0002775500000000, -0.0006875100000000, 0.0002630600000000 ] - [ -0.0001283600000000, -0.0004897900000000, 0.0011453000000000 ] - [ -0.0004527400000000, -0.0007769700000000, 0.0005519200000000 ] - [ -0.0001487500000000, 0.0000064000000000, 0.0000807000000000 ] - [ 0.0000449400000000, -0.0002271600000000, 0.0006624000000000 ] - [ 0.0003115800000000, 0.0002990900000000, -0.0001475000000000 ] - [ -0.0004586200000000, 0.0009179500000000, -0.0002164300000000 ] - [ -0.0003177600000000, -0.0002432300000000, -0.0005819500000000 ] - [ -0.0004508500000000, 0.0005199400000000, -0.0019325500000000 ] - [ 0.0001032000000000, -0.0003166600000000, -0.0002523100000000 ] - [ 0.0001313200000000, 0.0001301900000000, 0.0001866200000000 ] - [ -0.0004031000000000, -0.0000755700000000, -0.0007839700000000 ] - [ -0.0001795300000000, -0.0001917800000000, -0.0002506800000000 ] - [ -0.0003324900000000, -0.0008987300000000, -0.0001174500000000 ] - [ -0.0000255200000000, -0.0001793000000000, 0.0011219300000000 ] - [ 0.0000930300000000, -0.0006181400000000, -0.0002920700000000 ] - [ -0.0004633400000000, 0.0006570600000000, 0.0006560200000000 ] - [ 0.0011583400000000, -0.0025237300000000, 0.0358394600000000 ] - [ 0.0023162800000000, -0.0012807600000000, 0.0022043200000000 ] - [ 0.0044284600000000, 0.0065337900000000, 0.0007231500000000 ] - [ -0.0004387600000000, -0.0012179100000000, -0.0009075000000000 ] - [ 0.0002988400000000, 0.0002097000000000, 0.0006087600000000 ] - [ 0.0000535700000000, -0.0001519300000000, -0.0001658000000000 ] - [ 0.0006315300000000, 0.0008529300000000, 0.0005732900000000 ] - [ -0.0000863900000000, -0.0000096900000000, 0.0000233100000000 ] - [ -0.0005626300000000, -0.0006495600000000, 0.0002901900000000 ] - [ 0.0001320800000000, 0.0005881700000000, 0.0002964100000000 ] - [ 0.0005637500000000, -0.0006118000000000, 0.0002154100000000 ] - [ 0.0005090300000000, -0.0008499700000000, 0.0018421000000000 ] - [ -0.0008726700000000, -0.0005524000000000, -0.0002226100000000 ] - [ -0.0003744900000000, 0.0003558600000000, -0.0000828700000000 ] - [ 0.0002303500000000, 0.0007827200000000, -0.0006229700000000 ] - [ 0.0001316700000000, 0.0001166200000000, 0.0013055700000000 ] - [ 0.0000562900000000, -0.0003651100000000, -0.0002186500000000 ] - [ -0.0002767300000000, 0.0008165000000000, 0.0002039300000000 ] - [ -0.0001004900000000, 0.0001778200000000, 0.0007985300000000 ] - [ 0.0004660700000000, -0.0009182100000000, 0.0003628800000000 ] - [ 0.0001469600000000, 0.0008643200000000, -0.0002597300000000 ] - [ -0.0008698200000000, 0.0006012700000000, -0.0002258100000000 ] - [ -0.0004492800000000, 0.0003679100000000, -0.0004343000000000 ] - [ 0.0002949500000000, -0.0001281200000000, 0.0005821500000000 ] - [ 0.0000665500000000, -0.0001823900000000, -0.0000219600000000 ] - [ 0.0002883400000000, -0.0001655300000000, -0.0003606500000000 ] - [ -0.0003092000000000, 0.0005682300000000, -0.0002493300000000 ] - [ 0.0001261000000000, -0.0005311800000000, 0.0002895800000000 ] - [ 0.0120787100000000, -0.0001885300000000, -0.0042361200000000 ] - [ -0.0003254500000000, 0.0002939700000000, -0.0005828000000000 ] - [ -0.0001714900000000, -0.0001919000000000, -0.0004895900000000 ] - [ -0.0098596300000000, -0.0058707500000000, -0.0049475400000000 ] - [ -0.0003682500000000, -0.0003032000000000, -0.0000758800000000 ] - [ -0.0000818600000000, 0.0001883300000000, -0.0001814500000000 ] - [ 0.0000908500000000, 0.0001534000000000, -0.0002849100000000 ] - [ 0.0000108600000000, 0.0004236600000000, 0.0003862600000000 ] - [ 0.0001073600000000, -0.0000722600000000, -0.0006474300000000 ] - [ 0.0001769600000000, -0.0003741500000000, 0.0006492300000000 ] - [ 0.0002711600000000, -0.0003358900000000, 0.0002812200000000 ] - [ -0.0003346500000000, -0.0019402300000000, -0.0006393400000000 ] - [ 0.0000076900000000, -0.0004172500000000, 0.0003594300000000 ] - [ -0.0004211800000000, -0.0011345800000000, -0.0003319700000000 ] - [ -0.0003302300000000, -0.0004690200000000, 0.0007722300000000 ] - [ 0.0001577900000000, -0.0001675600000000, 0.0015344100000000 ] - [ 0.0003281300000000, 0.0001545400000000, -0.0003009800000000 ] - [ -0.0004488200000000, 0.0008704100000000, 0.0005203700000000 ] - [ -0.0002532700000000, -0.0003130800000000, -0.0017627700000000 ] - [ 0.0003427100000000, -0.0002225200000000, -0.0000739100000000 ] - [ 0.0001558400000000, -0.0000630100000000, 0.0002114000000000 ] - [ 0.0001290000000000, 0.0003395600000000, -0.0003280800000000 ] - [ -0.0003030200000000, 0.0002725100000000, 0.0006982800000000 ] - [ 0.0002171900000000, -0.0019437900000000, 0.0014329100000000 ] - [ -0.0003060100000000, -0.0005350100000000, -0.0002437700000000 ] - [ -0.0001001600000000, -0.0001648300000000, 0.0008044100000000 ] - [ 0.0001137200000000, -0.0005426100000000, -0.0001622900000000 ] - [ -0.0001567500000000, 0.0000440700000000, 0.0000771200000000 ] - [ 0.0008714300000000, 0.0006055800000000, -0.0002863100000000 ] - [ 0.0005672300000000, 0.0006685200000000, 0.0002207900000000 ] - [ 0.0004641800000000, 0.0010202700000000, 0.0003133800000000 ] - [ 0.0003496600000000, 0.0002625800000000, -0.0000663800000000 ] - [ 0.0099234400000000, -0.0013652800000000, -0.0033727100000000 ] - [ 0.0001264700000000, -0.0001440900000000, -0.0002594800000000 ] - [ -0.0001886000000000, 0.0002338100000000, -0.0002673700000000 ] - [ -0.0000726500000000, -0.0001707700000000, -0.0002988200000000 ] - [ -0.0004202800000000, -0.0003868100000000, -0.0005548100000000 ] - [ -0.0008797600000000, 0.0018827200000000, -0.0006401900000000 ] - [ -0.0045827100000000, 0.0002299400000000, 0.0028321600000000 ] - [ 0.0008725700000000, -0.0005609800000000, -0.0002840500000000 ] - [ -0.0009137200000000, -0.0006577800000000, -0.0008846200000000 ] - [ -0.0001509800000000, 0.0009173200000000, -0.0006399800000000 ] - [ -0.0001166600000000, -0.0004505300000000, 0.0002855200000000 ] - [ 0.0000402300000000, 0.0002475000000000, 0.0006376900000000 ] - [ -0.0001219400000000, 0.0004992600000000, 0.0002991400000000 ] - [ -0.0003443000000000, 0.0019308400000000, -0.0008013600000000 ] - [ 0.0000750500000000, 0.0002892600000000, 0.0011051000000000 ] - [ -0.0034861500000000, -0.0021505500000000, 0.0028070300000000 ] - [ 0.0000967700000000, 0.0007324800000000, -0.0003574900000000 ] - [ -0.0009684600000000, 0.0005757500000000, -0.0008544700000000 ] - [ -0.0005660200000000, 0.0007216500000000, 0.0003023900000000 ] - [ -0.0075543500000000, 0.0076721600000000, -0.0034956000000000 ] - [ 0.0000534600000000, 0.0000848600000000, -0.0007556400000000 ] - [ 0.0003185500000000, -0.0002143000000000, -0.0001297300000000 ] - [ -0.0001334000000000, 0.0013179700000000, -0.0003069200000000 ] - [ 0.0003084900000000, -0.0017252000000000, -0.0010586700000000 ] - [ 0.0003245600000000, 0.0003072200000000, -0.0007051400000000 ] - [ -0.0004258700000000, 0.0002778700000000, -0.0017371400000000 ] - [ -0.0002991700000000, -0.0002008200000000, 0.0006816500000000 ] - [ 0.0003174800000000, -0.0002659700000000, -0.0007095800000000 ] - [ -0.0000218300000000, -0.0014133200000000, -0.0010843200000000 ] - [ -0.0000834800000000, 0.0000132400000000, 0.0000512300000000 ] - [ 0.0000505800000000, 0.0002586900000000, -0.0001977800000000 ] - [ -0.0001731900000000, 0.0005816400000000, 0.0012244000000000 ] - [ 0.0000507200000000, 0.0002450700000000, 0.0000089500000000 ] - [ 0.0002776400000000, 0.0004305100000000, 0.0002640600000000 ]- atom: 84 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016668300000000, -0.0012550200000000, -0.0003625600000000 ] - [ 0.0458775100000000, 0.0272996500000000, 0.0158683900000000 ] - [ -0.0005802800000000, 0.0006074600000000, -0.0000431200000000 ] - [ -0.0003733500000000, 0.0000171100000000, -0.0004874600000000 ] - [ 0.0000378600000000, -0.0000402100000000, -0.0000145800000000 ] - [ 0.0000355400000000, -0.0000350900000000, 0.0001983300000000 ] - [ 0.0000058200000000, -0.0000751000000000, 0.0005249400000000 ] - [ 0.0005117000000000, -0.0012736100000000, 0.0003061300000000 ] - [ -0.0003651800000000, -0.0000821900000000, -0.0004881500000000 ] - [ 0.0003058600000000, 0.0001877300000000, 0.0000411400000000 ] - [ -0.0006398900000000, -0.0006794700000000, 0.0000178700000000 ] - [ 0.0000093600000000, 0.0001616600000000, -0.0002973400000000 ] - [ 0.0181864700000000, -0.0095253300000000, -0.0040841800000000 ] - [ -0.0001799800000000, 0.0006114700000000, 0.0001225000000000 ] - [ -0.0000910000000000, -0.0000127800000000, -0.0000057900000000 ] - [ 0.0011415800000000, 0.0021424200000000, -0.0008099000000000 ] - [ 0.0003661800000000, -0.0000873300000000, -0.0004932500000000 ] - [ 0.0006419100000000, -0.0006798300000000, 0.0000058400000000 ] - [ -0.0006444700000000, 0.0006236800000000, -0.0001075800000000 ] - [ -0.0003867500000000, 0.0000577700000000, -0.0007792600000000 ] - [ -0.0000883000000000, 0.0008299100000000, -0.0004182300000000 ] - [ -0.0000002900000000, 0.0000071000000000, 0.0003129200000000 ] - [ -0.0000047800000000, -0.0000625200000000, 0.0005557000000000 ] - [ 0.0000023300000000, -0.0000121000000000, 0.0005452300000000 ] - [ -0.0000573200000000, 0.0000415300000000, -0.0005964800000000 ] - [ 0.0006477800000000, 0.0006285800000000, 0.0000026600000000 ] - [ -0.0007035500000000, -0.0005615200000000, -0.0000361700000000 ] - [ -0.0000424600000000, -0.0000270900000000, 0.0000002800000000 ] - [ 0.0000411500000000, -0.0000248000000000, -0.0000110000000000 ] - [ -0.0000022200000000, -0.0000138300000000, 0.0002953700000000 ] - [ -0.0000544900000000, -0.0000148500000000, -0.0000813500000000 ] - [ 0.0003719900000000, 0.0000115000000000, -0.0004933700000000 ] - [ -0.0190155200000000, 0.0005489100000000, 0.0014307500000000 ] - [ 0.0009630300000000, -0.0005559800000000, -0.0000237500000000 ] - [ 0.0003234000000000, -0.0000237600000000, -0.0004478900000000 ] - [ -0.0002860300000000, 0.0000400900000000, -0.0000622000000000 ] - [ 0.0001821800000000, -0.0006721300000000, -0.0008461700000000 ] - [ 0.0002972500000000, -0.0001532200000000, -0.0004323200000000 ] - [ -0.0019018500000000, 0.0000256200000000, -0.0009957800000000 ] - [ -0.0001711100000000, 0.0008532500000000, -0.0008803500000000 ] - [ -0.0048396100000000, -0.0025722500000000, 0.0005633500000000 ] - [ -0.0002622500000000, -0.0000476500000000, -0.0004502400000000 ] - [ 0.0063309700000000, -0.0004475900000000, -0.0004547800000000 ] - [ 0.0005118000000000, -0.0001915000000000, -0.0005797200000000 ] - [ 0.0001677200000000, 0.0004965000000000, -0.0008902200000000 ] - [ 0.0003195900000000, -0.0016033500000000, 0.0016853100000000 ] - [ -0.0007635700000000, 0.0008201600000000, 0.0003649000000000 ] - [ 0.0313776800000000, 0.0202713400000000, 0.0075200500000000 ] - [ -0.0003014200000000, -0.0001399400000000, -0.0004367900000000 ] - [ 0.0007213700000000, -0.0010257000000000, 0.0000957100000000 ] - [ 0.0002232400000000, 0.0002089800000000, -0.0007375700000000 ] - [ 0.0007471300000000, 0.0008235800000000, 0.0000002400000000 ] - [ 0.0017587100000000, 0.0006805400000000, -0.0014184500000000 ] - [ 0.0002567400000000, -0.0000890900000000, -0.0008373600000000 ] - [ -0.0004786600000000, -0.0000849400000000, -0.0005489400000000 ] - [ -0.0002197100000000, 0.0005289500000000, -0.0008444000000000 ] - [ 0.0004735900000000, -0.0000578000000000, -0.0005434900000000 ] - [ -0.0004926100000000, 0.0000109200000000, -0.0005004000000000 ] - [ -0.0001838700000000, -0.0006920900000000, -0.0008470200000000 ] - [ 0.0007907500000000, -0.0004663700000000, -0.0004496700000000 ] - [ 0.0000925700000000, 0.0000889600000000, -0.0006199400000000 ] - [ -0.0007566900000000, -0.0010457700000000, -0.0000366000000000 ] - [ -0.0007410000000000, 0.0009260200000000, 0.0001160200000000 ] - [ -0.0003229500000000, -0.0000263100000000, -0.0004309800000000 ] - [ 0.0002657000000000, -0.0006113800000000, 0.0001936900000000 ] - [ -0.0002417000000000, -0.0004423000000000, 0.0003128100000000 ] - [ 0.0001452100000000, -0.0004014900000000, 0.0008717700000000 ] - [ -0.0004764200000000, -0.0008235800000000, 0.0004677800000000 ] - [ -0.0001517700000000, 0.0000803500000000, 0.0001389000000000 ] - [ 0.0001145300000000, -0.0003411400000000, 0.0008923000000000 ] - [ 0.0002119800000000, 0.0000835100000000, -0.0003490200000000 ] - [ -0.0003666400000000, 0.0007610500000000, 0.0004997700000000 ] - [ -0.0003167600000000, -0.0002530000000000, -0.0006478000000000 ] - [ 0.0001810600000000, -0.0002545100000000, -0.0001396000000000 ] - [ 0.0000796000000000, 0.0000437100000000, 0.0002610200000000 ] - [ -0.0000427500000000, 0.0002385900000000, 0.0001315900000000 ] - [ -0.0000931700000000, 0.0000537600000000, 0.0008945100000000 ] - [ -0.0001100100000000, -0.0001733400000000, -0.0001095100000000 ] - [ -0.0097157300000000, -0.0040731400000000, -0.0008185800000000 ] - [ -0.0003911900000000, 0.0005285400000000, 0.0010804400000000 ] - [ 0.0000587500000000, -0.0000569600000000, -0.0000117900000000 ] - [ 0.0020342800000000, 0.0021944000000000, -0.0051801900000000 ] - [ 0.0033532500000000, -0.0071024100000000, -0.0019999100000000 ] - [ -0.1060101300000000, -0.0417584600000000, -0.0204384400000000 ] - [ 0.0093023300000000, -0.0023352700000000, -0.0051751200000000 ] - [ 0.0000468100000000, 0.0011597800000000, -0.0089937800000000 ] - [ 0.0003007100000000, 0.0002445000000000, 0.0006506900000000 ] - [ -0.0002886900000000, -0.0001296700000000, -0.0005170100000000 ] - [ 0.0047684600000000, -0.0004343200000000, 0.0049629100000000 ] - [ -0.0002256900000000, -0.0004337800000000, -0.0001254300000000 ] - [ -0.0005498400000000, -0.0006147500000000, 0.0002493700000000 ] - [ 0.0001251500000000, 0.0005418100000000, 0.0002967200000000 ] - [ 0.0005649800000000, -0.0006281200000000, 0.0002533800000000 ] - [ 0.0266651200000000, 0.0160035700000000, 0.0049347100000000 ] - [ -0.0008722000000000, -0.0005545200000000, -0.0002518100000000 ] - [ -0.0003609900000000, 0.0003071200000000, -0.0000749100000000 ] - [ 0.0000378600000000, -0.0009673700000000, 0.0004569700000000 ] - [ -0.0011615100000000, -0.0018442300000000, 0.0001118500000000 ] - [ -0.0032672700000000, -0.0003259900000000, 0.0083491000000000 ] - [ -0.0002787400000000, 0.0006181200000000, 0.0002370100000000 ] - [ 0.0001060400000000, -0.0000501200000000, 0.0009853500000000 ] - [ 0.0004569800000000, -0.0008312500000000, 0.0004727600000000 ] - [ 0.0008640200000000, 0.0009572300000000, -0.0000504100000000 ] - [ -0.0008714600000000, 0.0006040000000000, -0.0002550700000000 ] - [ -0.0004995900000000, 0.0006326800000000, 0.0003750400000000 ] - [ 0.0002973400000000, -0.0001625100000000, 0.0006300600000000 ] - [ 0.0001224900000000, -0.0001823700000000, -0.0001213700000000 ] - [ 0.0002475900000000, -0.0004365700000000, -0.0002633400000000 ] - [ -0.0003306600000000, 0.0004148400000000, -0.0001781300000000 ] - [ 0.0001087800000000, -0.0004913300000000, 0.0002696700000000 ] - [ -0.0024740300000000, 0.0040947600000000, -0.0022908700000000 ] - [ -0.0003219000000000, 0.0002875400000000, -0.0006395000000000 ] - [ -0.0012613000000000, -0.0004510900000000, 0.0005589400000000 ] - [ 0.0062434100000000, -0.0040994700000000, -0.0008122100000000 ] - [ -0.0003435500000000, -0.0002581900000000, -0.0000895900000000 ] - [ -0.0000342700000000, 0.0004152000000000, -0.0000304800000000 ] - [ -0.0000012400000000, 0.0000310100000000, -0.0003704200000000 ] - [ -0.0001267100000000, 0.0002781200000000, 0.0010092600000000 ] - [ -0.0000070700000000, 0.0003700500000000, -0.0000153000000000 ] - [ -0.0014785400000000, 0.0014069600000000, 0.0008071800000000 ] - [ 0.0002776700000000, -0.0005725600000000, 0.0002322900000000 ] - [ -0.0002911900000000, -0.0004720700000000, 0.0003227400000000 ] - [ -0.0000904700000000, -0.0003318700000000, 0.0008997200000000 ] - [ -0.0004689900000000, -0.0008834800000000, 0.0005012500000000 ] - [ -0.0000884600000000, 0.0001197800000000, 0.0000393100000000 ] - [ 0.0000723600000000, -0.0002526800000000, 0.0008335800000000 ] - [ 0.0003292100000000, 0.0004816000000000, -0.0001587400000000 ] - [ -0.0004557600000000, 0.0009593700000000, 0.0004070500000000 ] - [ -0.0004342200000000, -0.0003204900000000, -0.0004474300000000 ] - [ 0.0003558800000000, -0.0002619700000000, -0.0000813400000000 ] - [ 0.0001650100000000, 0.0000142300000000, 0.0001471300000000 ] - [ 0.0001326000000000, 0.0000274500000000, 0.0001447100000000 ] - [ -0.0003002600000000, 0.0002465900000000, 0.0006552100000000 ] - [ -0.0003838000000000, -0.0003664700000000, -0.0003719600000000 ] - [ -0.0003102000000000, -0.0003923100000000, -0.0001772800000000 ] - [ -0.0000032100000000, 0.0000218600000000, 0.0009895200000000 ] - [ 0.0000520300000000, -0.0001837000000000, -0.0001302300000000 ] - [ -0.0001578600000000, -0.0000075700000000, 0.0001435400000000 ] - [ 0.0008723800000000, 0.0006056200000000, -0.0002560800000000 ] - [ 0.0005674900000000, 0.0006947500000000, 0.0002623600000000 ] - [ 0.0004559100000000, 0.0009471500000000, 0.0004147300000000 ] - [ 0.0003634500000000, 0.0003129600000000, -0.0000699500000000 ] - [ 0.0020896200000000, 0.0007095200000000, 0.0014899300000000 ] - [ -0.0000079200000000, 0.0000261000000000, -0.0001799200000000 ] - [ -0.0001235600000000, 0.0002268000000000, -0.0001346400000000 ] - [ -0.0000860400000000, -0.0003332400000000, -0.0001519100000000 ] - [ -0.0005934500000000, -0.0007370900000000, 0.0003515700000000 ] - [ 0.0003797900000000, 0.0004761900000000, 0.0003396800000000 ] - [ 0.0027295900000000, -0.0000164900000000, -0.0003719700000000 ] - [ 0.0008710600000000, -0.0005555000000000, -0.0002528200000000 ] - [ -0.0009590200000000, -0.0006246900000000, -0.0001103700000000 ] - [ -0.0006994600000000, -0.0002652600000000, 0.0005927300000000 ] - [ -0.0001304600000000, -0.0004959400000000, 0.0002820600000000 ] - [ 0.0000921000000000, 0.0003771700000000, 0.0008882700000000 ] - [ -0.0001253600000000, 0.0005492100000000, 0.0003015900000000 ] - [ -0.0002318700000000, 0.0000170000000000, 0.0007109000000000 ] - [ 0.0000089400000000, 0.0000128400000000, 0.0009577900000000 ] - [ 0.0002524200000000, 0.0008136300000000, 0.0012996500000000 ] - [ 0.0000968100000000, 0.0003708500000000, -0.0001394000000000 ] - [ -0.0008684600000000, 0.0005411000000000, -0.0001393500000000 ] - [ -0.0005669700000000, 0.0006929900000000, 0.0002623200000000 ] - [ -0.0040114900000000, 0.0004060900000000, 0.0024123900000000 ] - [ 0.0001531700000000, -0.0002176400000000, -0.0001165700000000 ] - [ 0.0003090100000000, -0.0003888200000000, -0.0001907300000000 ] - [ -0.0004338300000000, 0.0005413800000000, -0.0002137300000000 ] - [ 0.0001804600000000, -0.0000706400000000, 0.0003002000000000 ] - [ 0.0003248900000000, 0.0003016400000000, -0.0006390100000000 ] - [ -0.0002648600000000, 0.0002508000000000, -0.0004759000000000 ] - [ -0.0002972500000000, -0.0001528900000000, 0.0006273300000000 ] - [ 0.0003180200000000, -0.0002542600000000, -0.0006438800000000 ] - [ -0.0003721100000000, -0.0002933400000000, -0.0000495300000000 ] - [ -0.0000965700000000, 0.0004004800000000, -0.0001426300000000 ] - [ -0.0000407400000000, 0.0000158700000000, -0.0002131800000000 ] - [ -0.0000959300000000, 0.0003928500000000, 0.0008816200000000 ] - [ 0.0001253400000000, 0.0002408700000000, -0.0001376400000000 ] - [ 0.0002808300000000, 0.0006344600000000, 0.0002502000000000 ]- atom: 84 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0024296200000000, 0.0011411500000000, -0.0006166400000000 ] - [ -0.0464311000000000, -0.0299477200000000, -0.0167015300000000 ] - [ -0.0007099700000000, 0.0006852400000000, 0.0000684500000000 ] - [ -0.0003644100000000, 0.0000826500000000, -0.0004965900000000 ] - [ 0.0000415300000000, 0.0000139700000000, -0.0000001300000000 ] - [ -0.0000356600000000, 0.0000351000000000, 0.0004140200000000 ] - [ -0.0000054900000000, 0.0000758300000000, 0.0005830800000000 ] - [ -0.0005132900000000, 0.0012763100000000, 0.0008018300000000 ] - [ -0.0003726100000000, -0.0000165500000000, -0.0004957600000000 ] - [ 0.0010036800000000, 0.0011152600000000, -0.0000089400000000 ] - [ -0.0006509700000000, -0.0006117200000000, 0.0000072100000000 ] - [ -0.0000899600000000, -0.0001382200000000, 0.0002904600000000 ] - [ -0.0173255800000000, 0.0089423700000000, 0.0037902900000000 ] - [ 0.0001818600000000, -0.0006080500000000, 0.0004889100000000 ] - [ 0.0000116700000000, -0.0000127500000000, -0.0000088800000000 ] - [ -0.0004301000000000, -0.0020552400000000, -0.0001714800000000 ] - [ 0.0003718700000000, -0.0000112700000000, -0.0004910900000000 ] - [ 0.0006494000000000, -0.0006120000000000, 0.0000188500000000 ] - [ -0.0006467700000000, 0.0006704700000000, 0.0001323500000000 ] - [ -0.0003308300000000, 0.0000467100000000, -0.0001978700000000 ] - [ 0.0001580900000000, -0.0008599700000000, 0.0004084100000000 ] - [ 0.0000001800000000, -0.0000070800000000, 0.0002979400000000 ] - [ 0.0000049700000000, 0.0000627300000000, 0.0005518100000000 ] - [ -0.0000024700000000, 0.0000129100000000, 0.0005615200000000 ] - [ -0.0006972800000000, -0.0001369800000000, -0.0003820800000000 ] - [ 0.0006437100000000, 0.0006637900000000, 0.0000220300000000 ] - [ -0.0005842500000000, -0.0007336000000000, 0.0000665600000000 ] - [ -0.0000363700000000, 0.0000543900000000, -0.0000148100000000 ] - [ 0.0000383300000000, 0.0000514300000000, -0.0000037600000000 ] - [ 0.0000031500000000, 0.0000145000000000, 0.0003149100000000 ] - [ -0.0000243800000000, -0.0000101200000000, 0.0000666000000000 ] - [ 0.0003665400000000, 0.0000882800000000, -0.0004907500000000 ] - [ 0.0183255200000000, -0.0007279500000000, -0.0022977200000000 ] - [ 0.0005293800000000, -0.0013173100000000, 0.0001130900000000 ] - [ 0.0002984800000000, 0.0001520500000000, -0.0004119300000000 ] - [ 0.0017728900000000, 0.0018343100000000, 0.0001543100000000 ] - [ 0.0001725000000000, -0.0005436100000000, -0.0008804500000000 ] - [ 0.0003248700000000, 0.0000275800000000, -0.0004275300000000 ] - [ 0.0009438600000000, -0.0000283400000000, -0.0001110200000000 ] - [ -0.0001808800000000, 0.0003625300000000, -0.0008445500000000 ] - [ 0.0057939100000000, 0.0025989700000000, -0.0016979500000000 ] - [ -0.0006942600000000, 0.0000500600000000, -0.0006643300000000 ] - [ -0.0066743300000000, -0.0007739900000000, -0.0012812000000000 ] - [ 0.0004443900000000, 0.0001959300000000, -0.0005322400000000 ] - [ 0.0001870600000000, 0.0007222000000000, -0.0008351800000000 ] - [ -0.0018155700000000, -0.0002482800000000, -0.0015995100000000 ] - [ -0.0007317300000000, 0.0010375300000000, -0.0002842200000000 ] - [ -0.0322245700000000, -0.0202316600000000, -0.0084465300000000 ] - [ -0.0003201300000000, 0.0000140700000000, -0.0004229400000000 ] - [ 0.0007747300000000, -0.0008279900000000, -0.0000084500000000 ] - [ 0.0003996800000000, -0.0000849200000000, -0.0001105700000000 ] - [ 0.0007484800000000, 0.0010352200000000, 0.0000874000000000 ] - [ -0.0013927200000000, -0.0019711800000000, -0.0002954800000000 ] - [ 0.0003647700000000, -0.0000382700000000, -0.0000139700000000 ] - [ -0.0004767500000000, 0.0000831800000000, -0.0005643000000000 ] - [ -0.0001347600000000, 0.0006899700000000, -0.0008817100000000 ] - [ 0.0004823600000000, 0.0000564300000000, -0.0005696700000000 ] - [ -0.0004629400000000, -0.0000067200000000, -0.0006152200000000 ] - [ -0.0001705400000000, -0.0005243500000000, -0.0008797500000000 ] - [ 0.0001646300000000, 0.0004746600000000, -0.0006637800000000 ] - [ 0.0002578400000000, 0.0011073500000000, -0.0011208400000000 ] - [ -0.0007380400000000, -0.0008122600000000, 0.0001242900000000 ] - [ -0.0007534100000000, 0.0009333800000000, -0.0000265200000000 ] - [ -0.0002983300000000, 0.0001544400000000, -0.0004288700000000 ] - [ 0.0002892400000000, -0.0005307300000000, 0.0003293700000000 ] - [ -0.0003131600000000, -0.0007024900000000, 0.0002095300000000 ] - [ -0.0003215300000000, -0.0002933100000000, 0.0008774000000000 ] - [ -0.0004385300000000, -0.0009793800000000, 0.0003968200000000 ] - [ -0.0001532300000000, -0.0000202900000000, 0.0001365400000000 ] - [ 0.0000627700000000, -0.0003531100000000, 0.0008589400000000 ] - [ 0.0004111900000000, 0.0007655000000000, -0.0000236500000000 ] - [ -0.0005475700000000, 0.0010451500000000, 0.0003607000000000 ] - [ -0.0003256300000000, -0.0003041700000000, -0.0006437200000000 ] - [ 0.0005408000000000, -0.0003150300000000, -0.0000074300000000 ] - [ 0.0002263900000000, -0.0001055300000000, 0.0000118700000000 ] - [ 0.0003488700000000, -0.0001800500000000, 0.0001438000000000 ] - [ -0.0005041800000000, 0.0003533900000000, 0.0003884300000000 ] - [ -0.0001422600000000, -0.0002393500000000, -0.0001709600000000 ] - [ 0.0090901200000000, 0.0032492100000000, 0.0004587100000000 ] - [ 0.0003863800000000, -0.0005277800000000, 0.0008702900000000 ] - [ 0.0001326400000000, -0.0006507100000000, -0.0002540500000000 ] - [ -0.0023343700000000, -0.0022780500000000, 0.0054837800000000 ] - [ -0.0016521900000000, 0.0083876200000000, 0.0015163600000000 ] - [ 0.1081371800000000, 0.0448127200000000, 0.0220704400000000 ] - [ -0.0084526300000000, 0.0041253300000000, 0.0061381800000000 ] - [ 0.0006649200000000, -0.0005764500000000, 0.0087773800000000 ] - [ 0.0002966800000000, 0.0001600500000000, 0.0006357000000000 ] - [ 0.0002927700000000, 0.0001281000000000, 0.0001315600000000 ] - [ -0.0049999300000000, 0.0008268700000000, -0.0051870100000000 ] - [ 0.0000348100000000, -0.0002693000000000, -0.0001354900000000 ] - [ -0.0005820100000000, -0.0007088400000000, 0.0002640300000000 ] - [ 0.0001221200000000, 0.0004939200000000, 0.0002922400000000 ] - [ 0.0005675000000000, -0.0006951000000000, 0.0002599600000000 ] - [ -0.0244535800000000, -0.0168499900000000, -0.0053016700000000 ] - [ -0.0008701100000000, -0.0006057500000000, -0.0002588400000000 ] - [ -0.0003572100000000, 0.0002638000000000, -0.0000689100000000 ] - [ -0.0002915400000000, -0.0000655500000000, 0.0001329500000000 ] - [ 0.0013462700000000, 0.0025251300000000, 0.0016382500000000 ] - [ 0.0030433800000000, 0.0013736400000000, -0.0077986000000000 ] - [ -0.0002765500000000, 0.0005227900000000, 0.0002872200000000 ] - [ -0.0001088500000000, 0.0000522100000000, 0.0009657200000000 ] - [ 0.0004580800000000, -0.0009719700000000, 0.0003917900000000 ] - [ -0.0006720000000000, -0.0002635800000000, -0.0002039000000000 ] - [ -0.0008711700000000, 0.0005560700000000, -0.0002556200000000 ] - [ -0.0006321000000000, 0.0006896900000000, 0.0001345500000000 ] - [ 0.0003003700000000, -0.0002436000000000, 0.0006566900000000 ] - [ 0.0001300300000000, -0.0002304300000000, -0.0001577700000000 ] - [ 0.0003765300000000, -0.0004105000000000, -0.0001063500000000 ] - [ -0.0002921400000000, 0.0004372300000000, -0.0001944000000000 ] - [ 0.0001388500000000, -0.0005452000000000, 0.0003195100000000 ] - [ 0.0030794800000000, -0.0035819400000000, 0.0009880100000000 ] - [ -0.0003204600000000, 0.0002687000000000, -0.0006512000000000 ] - [ 0.0006650500000000, 0.0000536200000000, 0.0007209200000000 ] - [ -0.0056347100000000, 0.0035907700000000, -0.0005202100000000 ] - [ -0.0003749600000000, -0.0003134500000000, -0.0000543700000000 ] - [ -0.0001565800000000, 0.0002883800000000, -0.0002314500000000 ] - [ 0.0000054600000000, -0.0000299300000000, -0.0000141300000000 ] - [ -0.0000493300000000, 0.0004192600000000, 0.0007385800000000 ] - [ 0.0002584400000000, 0.0000410700000000, -0.0002676500000000 ] - [ 0.0020384200000000, -0.0002782700000000, -0.0002942600000000 ] - [ 0.0002777400000000, -0.0005718400000000, 0.0002922800000000 ] - [ -0.0002634200000000, -0.0006679300000000, 0.0002048600000000 ] - [ -0.0000873500000000, -0.0003639700000000, 0.0008536600000000 ] - [ -0.0004459100000000, -0.0009182100000000, 0.0003614900000000 ] - [ -0.0002174400000000, -0.0000599000000000, 0.0002361100000000 ] - [ 0.0001048900000000, -0.0004414100000000, 0.0009181000000000 ] - [ 0.0002943200000000, 0.0003684400000000, -0.0002137500000000 ] - [ -0.0004593600000000, 0.0008421400000000, 0.0004579600000000 ] - [ -0.0002080400000000, -0.0002359800000000, -0.0008494900000000 ] - [ 0.0003634400000000, -0.0003095100000000, -0.0000618200000000 ] - [ 0.0001403500000000, -0.0000747100000000, 0.0001282800000000 ] - [ 0.0001732400000000, 0.0000322600000000, 0.0001314600000000 ] - [ -0.0002967700000000, 0.0001584000000000, 0.0006312600000000 ] - [ 0.0001342300000000, -0.0000455000000000, 0.0000937300000000 ] - [ -0.0003128600000000, -0.0004590100000000, -0.0001950000000000 ] - [ 0.0000041300000000, -0.0000216100000000, 0.0009624300000000 ] - [ 0.0001392900000000, -0.0005222000000000, -0.0001342100000000 ] - [ -0.0001469700000000, -0.0000529700000000, 0.0001322400000000 ] - [ 0.0008703900000000, 0.0005543900000000, -0.0002542400000000 ] - [ 0.0005649000000000, 0.0006278100000000, 0.0002511000000000 ] - [ 0.0004592900000000, 0.0008546300000000, 0.0004506900000000 ] - [ 0.0003556700000000, 0.0002579900000000, -0.0000735500000000 ] - [ -0.0014713500000000, -0.0002648200000000, -0.0001519800000000 ] - [ 0.0000079100000000, -0.0000260100000000, -0.0002058600000000 ] - [ -0.0001284100000000, 0.0001857800000000, -0.0001451900000000 ] - [ -0.0001049300000000, -0.0003733400000000, -0.0001117600000000 ] - [ -0.0005378800000000, -0.0005865900000000, 0.0001608900000000 ] - [ -0.0001495500000000, 0.0005742500000000, 0.0002416300000000 ] - [ -0.0015831500000000, -0.0012574500000000, 0.0008737200000000 ] - [ 0.0008718100000000, -0.0006055000000000, -0.0002576300000000 ] - [ -0.0007833100000000, -0.0005347000000000, -0.0004028900000000 ] - [ -0.0000116200000000, 0.0008505500000000, -0.0007420900000000 ] - [ -0.0001168900000000, -0.0005407500000000, 0.0003072900000000 ] - [ 0.0000858200000000, 0.0003179700000000, 0.0008639300000000 ] - [ -0.0001214100000000, 0.0004867100000000, 0.0002870700000000 ] - [ -0.0003242100000000, 0.0011443600000000, -0.0002014800000000 ] - [ -0.0000099500000000, -0.0000138800000000, 0.0009941500000000 ] - [ 0.0006446500000000, -0.0026673600000000, -0.0004639600000000 ] - [ 0.0000945000000000, 0.0003337800000000, -0.0001248900000000 ] - [ -0.0008751100000000, 0.0006199300000000, -0.0003732100000000 ] - [ -0.0005650100000000, 0.0006296800000000, 0.0002509900000000 ] - [ 0.0045635200000000, -0.0008673500000000, -0.0012226300000000 ] - [ 0.0000985500000000, -0.0001954400000000, -0.0001626700000000 ] - [ 0.0003149000000000, -0.0004622300000000, -0.0001816400000000 ] - [ -0.0001884200000000, 0.0003023800000000, -0.0001577100000000 ] - [ 0.0000766400000000, -0.0009697600000000, 0.0002951700000000 ] - [ 0.0003183000000000, 0.0002550400000000, -0.0006523000000000 ] - [ -0.0003773700000000, 0.0003054900000000, -0.0008224700000000 ] - [ -0.0003000100000000, -0.0002534600000000, 0.0006592600000000 ] - [ 0.0003252300000000, -0.0003025400000000, -0.0006473600000000 ] - [ -0.0003524500000000, -0.0002793100000000, -0.0000897100000000 ] - [ -0.0000940000000000, 0.0003046700000000, -0.0001217100000000 ] - [ 0.0000425600000000, -0.0000167300000000, -0.0001720900000000 ] - [ -0.0000809900000000, 0.0003011700000000, 0.0008697100000000 ] - [ 0.0001273700000000, 0.0001716900000000, -0.0001422100000000 ] - [ 0.0002747600000000, 0.0005072600000000, 0.0002739000000000 ]- atom: 84 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012116400000000, 0.0042539700000000, 0.0029744300000000 ] - [ 0.0185009100000000, 0.0214367400000000, 0.0085729500000000 ] - [ -0.0009697800000000, -0.0004869800000000, 0.0001059200000000 ] - [ -0.0004327100000000, -0.0008297500000000, -0.0005270700000000 ] - [ -0.0000777000000000, -0.0005103300000000, -0.0000740800000000 ] - [ -0.0000618500000000, -0.0001861200000000, -0.0003106600000000 ] - [ 0.0000061000000000, -0.0001887000000000, 0.0000892700000000 ] - [ 0.0000648100000000, -0.0019418800000000, 0.0013134300000000 ] - [ -0.0003087900000000, -0.0009223800000000, -0.0004945800000000 ] - [ -0.0009190700000000, -0.0026614600000000, -0.0001196300000000 ] - [ -0.0005105000000000, -0.0014818300000000, 0.0000167600000000 ] - [ 0.0001957500000000, 0.0010537200000000, -0.0007470000000000 ] - [ -0.0056982300000000, 0.0078869200000000, 0.0021561900000000 ] - [ 0.0006320700000000, -0.0013642200000000, 0.0016567700000000 ] - [ 0.0002064500000000, -0.0011885700000000, 0.0000107000000000 ] - [ 0.0033954300000000, 0.0043313200000000, 0.0042441500000000 ] - [ 0.0003111000000000, -0.0008357900000000, -0.0004694900000000 ] - [ 0.0005489300000000, -0.0013260900000000, -0.0000402600000000 ] - [ -0.0006888300000000, 0.0008084300000000, -0.0004809400000000 ] - [ -0.0014951100000000, 0.0013385100000000, -0.0023419100000000 ] - [ 0.0005112400000000, -0.0025172000000000, 0.0008089100000000 ] - [ 0.0001505000000000, -0.0010737500000000, 0.0001644000000000 ] - [ -0.0001676100000000, -0.0010443100000000, 0.0004093900000000 ] - [ 0.0000823900000000, -0.0005569900000000, 0.0006251700000000 ] - [ 0.0006313900000000, 0.0014393200000000, -0.0025427200000000 ] - [ 0.0007211000000000, 0.0001536300000000, 0.0000075200000000 ] - [ -0.0008388300000000, 0.0004143400000000, -0.0003619900000000 ] - [ -0.0000896500000000, -0.0009726800000000, 0.0000513400000000 ] - [ 0.0001099400000000, -0.0007348700000000, -0.0000005100000000 ] - [ -0.0000537100000000, -0.0005526700000000, 0.0004259200000000 ] - [ -0.0001731200000000, 0.0001006700000000, -0.0003863600000000 ] - [ 0.0004177500000000, -0.0007269900000000, -0.0004950000000000 ] - [ 0.0018125700000000, 0.0082283700000000, 0.0000755800000000 ] - [ 0.0008252000000000, -0.0004391400000000, 0.0005197300000000 ] - [ 0.0005394900000000, -0.0019099300000000, -0.0002681600000000 ] - [ 0.0005171200000000, -0.0004180100000000, -0.0012612700000000 ] - [ 0.0002906900000000, -0.0021873800000000, -0.0004637800000000 ] - [ 0.0000860800000000, -0.0020229500000000, -0.0003766600000000 ] - [ -0.0007745000000000, 0.0017606200000000, -0.0024726700000000 ] - [ -0.0001247500000000, 0.0012687700000000, 0.0005045500000000 ] - [ 0.0003011300000000, 0.0061809000000000, 0.0004327400000000 ] - [ -0.0003699300000000, -0.0013807400000000, -0.0002886800000000 ] - [ -0.0003491900000000, 0.0024244600000000, -0.0044880400000000 ] - [ 0.0006776600000000, -0.0018121500000000, -0.0014689100000000 ] - [ 0.0000629400000000, -0.0010713500000000, -0.0015254200000000 ] - [ -0.0009555200000000, -0.0060834200000000, -0.0036794900000000 ] - [ -0.0006509200000000, 0.0006368600000000, 0.0012451800000000 ] - [ 0.0141081900000000, 0.1126863000000000, 0.0265350300000000 ] - [ -0.0000976600000000, -0.0017225400000000, -0.0006680700000000 ] - [ 0.0004630900000000, -0.0036534500000000, 0.0008713500000000 ] - [ -0.0000423100000000, 0.0031124700000000, -0.0025642800000000 ] - [ 0.0007804200000000, -0.0004107200000000, -0.0002230300000000 ] - [ -0.0002371900000000, 0.0120369800000000, 0.0015513700000000 ] - [ 0.0006432200000000, 0.0028414800000000, -0.0006365700000000 ] - [ -0.0004469200000000, -0.0016167800000000, -0.0003359000000000 ] - [ -0.0000620200000000, -0.0007392200000000, -0.0008569000000000 ] - [ 0.0003734200000000, -0.0015739400000000, -0.0001572600000000 ] - [ -0.0002369500000000, 0.0001258500000000, 0.0010290600000000 ] - [ -0.0003158200000000, -0.0022190700000000, -0.0005364200000000 ] - [ 0.0006354700000000, -0.0031714100000000, -0.0026402200000000 ] - [ 0.0005322600000000, -0.0011661700000000, -0.0024207000000000 ] - [ -0.0008298600000000, -0.0024312600000000, -0.0007505000000000 ] - [ -0.0006877800000000, -0.0010339300000000, 0.0006289200000000 ] - [ -0.0005405100000000, -0.0016278300000000, -0.0003730000000000 ] - [ 0.0002998000000000, 0.0001793100000000, 0.0000044400000000 ] - [ -0.0002270800000000, 0.0008589700000000, 0.0011840600000000 ] - [ -0.0001193700000000, 0.0003457900000000, 0.0010175500000000 ] - [ -0.0005152600000000, 0.0003086400000000, 0.0008244200000000 ] - [ -0.0001663600000000, 0.0004269200000000, 0.0002574900000000 ] - [ 0.0001253200000000, -0.0002645800000000, 0.0009983900000000 ] - [ 0.0004099600000000, 0.0023725000000000, 0.0001492400000000 ] - [ -0.0005693800000000, -0.0012951100000000, 0.0016715200000000 ] - [ -0.0002286400000000, 0.0003109500000000, -0.0006733800000000 ] - [ -0.0005874700000000, 0.0002144200000000, -0.0016078300000000 ] - [ 0.0000168600000000, -0.0001882300000000, 0.0006719400000000 ] - [ -0.0001470200000000, 0.0009248600000000, -0.0002605000000000 ] - [ -0.0001155500000000, -0.0014126100000000, -0.0000785600000000 ] - [ 0.0000331500000000, 0.0001713300000000, 0.0001200400000000 ] - [ -0.0003160700000000, -0.0066543200000000, -0.0016276100000000 ] - [ 0.0010944100000000, 0.0010696400000000, 0.0016269200000000 ] - [ 0.0000618300000000, 0.0010917600000000, 0.0008993300000000 ] - [ 0.0026923400000000, 0.0010877300000000, -0.0065849800000000 ] - [ -0.0064611400000000, 0.0050748800000000, 0.0017025600000000 ] - [ -0.0435587100000000, -0.1696285300000000, -0.0553730800000000 ] - [ 0.0027404200000000, -0.0076449700000000, 0.0006216700000000 ] - [ -0.0007768200000000, -0.0039619100000000, 0.0070664000000000 ] - [ 0.0003493500000000, 0.0011691600000000, 0.0009985800000000 ] - [ -0.0011735400000000, 0.0006038700000000, 0.0004256600000000 ] - [ -0.0038087500000000, -0.0002262000000000, -0.0052325000000000 ] - [ 0.0000543100000000, -0.0001375800000000, -0.0008331600000000 ] - [ -0.0005190000000000, 0.0001833900000000, 0.0000980000000000 ] - [ 0.0001795200000000, 0.0011448600000000, 0.0003948200000000 ] - [ 0.0005327100000000, -0.0000478200000000, 0.0002225200000000 ] - [ 0.0152347100000000, 0.0014413400000000, 0.0006147300000000 ] - [ -0.0008765800000000, 0.0000028900000000, -0.0002439000000000 ] - [ -0.0004253500000000, 0.0008357900000000, -0.0001010600000000 ] - [ 0.0008272100000000, -0.0002677400000000, -0.0012285500000000 ] - [ 0.0007382600000000, 0.0067055400000000, 0.0021923300000000 ] - [ -0.0011121900000000, -0.0039912100000000, 0.0060844800000000 ] - [ -0.0002818200000000, 0.0018143700000000, -0.0003724900000000 ] - [ 0.0000686500000000, -0.0000029200000000, 0.0008208100000000 ] - [ 0.0004718900000000, 0.0002320000000000, 0.0010277100000000 ] - [ 0.0001991200000000, 0.0008143400000000, -0.0018331200000000 ] - [ -0.0008710000000000, 0.0011789100000000, -0.0003148000000000 ] - [ -0.0005374200000000, -0.0004445200000000, 0.0006629300000000 ] - [ 0.0002537100000000, 0.0006782200000000, 0.0004175100000000 ] - [ 0.0001643300000000, 0.0004198100000000, -0.0005329200000000 ] - [ 0.0002625400000000, -0.0011192700000000, -0.0006100300000000 ] - [ -0.0003338900000000, 0.0007659900000000, -0.0003889200000000 ] - [ 0.0000918700000000, 0.0001279500000000, 0.0002976000000000 ] - [ 0.0047034100000000, 0.0138077100000000, -0.0072671100000000 ] - [ -0.0004309400000000, 0.0009287600000000, -0.0006591900000000 ] - [ -0.0005063200000000, -0.0035314800000000, 0.0022913300000000 ] - [ 0.0016560600000000, -0.0045764400000000, -0.0031267300000000 ] - [ -0.0003241000000000, 0.0003077400000000, 0.0000825900000000 ] - [ 0.0000081400000000, -0.0001579200000000, 0.0007067000000000 ] - [ -0.0002638100000000, 0.0000108200000000, -0.0006439300000000 ] - [ -0.0000762800000000, 0.0001907600000000, 0.0010418100000000 ] - [ 0.0002520400000000, 0.0000872500000000, 0.0005545700000000 ] - [ -0.0007678900000000, 0.0024276300000000, 0.0044251700000000 ] - [ 0.0002443300000000, 0.0002532200000000, 0.0004640300000000 ] - [ -0.0002746400000000, 0.0003612200000000, 0.0008728100000000 ] - [ -0.0000805300000000, -0.0000229500000000, 0.0010069600000000 ] - [ -0.0003257400000000, -0.0022377900000000, 0.0001377500000000 ] - [ 0.0002192500000000, 0.0009489200000000, 0.0003546300000000 ] - [ -0.0000625200000000, 0.0004753300000000, 0.0006879300000000 ] - [ 0.0003049900000000, 0.0007517900000000, 0.0000545400000000 ] - [ -0.0004262000000000, 0.0021081900000000, -0.0001002800000000 ] - [ -0.0004423900000000, -0.0011809200000000, 0.0000080700000000 ] - [ 0.0003131800000000, 0.0001646300000000, -0.0002118600000000 ] - [ 0.0003643800000000, 0.0007117000000000, 0.0003109100000000 ] - [ 0.0000978400000000, 0.0002344600000000, -0.0002201000000000 ] - [ -0.0003390200000000, 0.0010145500000000, 0.0007966800000000 ] - [ -0.0001827100000000, 0.0007972800000000, 0.0005786100000000 ] - [ -0.0002884400000000, 0.0002316300000000, -0.0000386400000000 ] - [ -0.0000249100000000, 0.0003551200000000, 0.0010992300000000 ] - [ 0.0000257400000000, 0.0011007500000000, 0.0007055000000000 ] - [ -0.0002672200000000, 0.0005283700000000, 0.0002141700000000 ] - [ 0.0008449900000000, 0.0010818900000000, -0.0002617300000000 ] - [ 0.0005996700000000, 0.0013512200000000, 0.0003560300000000 ] - [ 0.0004252700000000, 0.0020075900000000, -0.0000313900000000 ] - [ 0.0004236000000000, 0.0008104100000000, -0.0000411400000000 ] - [ -0.0000074600000000, 0.0000422900000000, 0.0024900600000000 ] - [ 0.0000902900000000, 0.0003246100000000, -0.0000091600000000 ] - [ -0.0001443700000000, 0.0006744600000000, -0.0001322300000000 ] - [ 0.0000146200000000, 0.0000487800000000, -0.0005866900000000 ] - [ -0.0006414800000000, -0.0014995400000000, 0.0003958400000000 ] - [ 0.0005869800000000, -0.0034240100000000, -0.0003768700000000 ] - [ -0.0000640000000000, -0.0002866400000000, -0.0002597200000000 ] - [ 0.0008896000000000, -0.0000669900000000, -0.0002060800000000 ] - [ -0.0005571500000000, -0.0015124700000000, 0.0000208000000000 ] - [ -0.0000674900000000, -0.0033874700000000, -0.0005801600000000 ] - [ -0.0001154100000000, 0.0000637300000000, 0.0000803100000000 ] - [ 0.0001255200000000, 0.0008081900000000, 0.0008778800000000 ] - [ -0.0001592700000000, 0.0011416000000000, 0.0004282700000000 ] - [ -0.0001848900000000, -0.0002565600000000, 0.0001874600000000 ] - [ 0.0001572700000000, 0.0006395800000000, 0.0007958200000000 ] - [ 0.0025559700000000, 0.0069909100000000, 0.0060904600000000 ] - [ 0.0001451200000000, 0.0012307800000000, -0.0005121400000000 ] - [ -0.0011384500000000, -0.0002687600000000, 0.0000376600000000 ] - [ -0.0005977900000000, 0.0014833700000000, 0.0003540300000000 ] - [ 0.0022558100000000, -0.0024973800000000, 0.0128369900000000 ] - [ 0.0001013400000000, -0.0001000100000000, -0.0005935800000000 ] - [ 0.0002792000000000, 0.0004540400000000, -0.0001456200000000 ] - [ -0.0005204100000000, 0.0023855800000000, -0.0007893600000000 ] - [ 0.0000191200000000, -0.0000395400000000, 0.0009156000000000 ] - [ 0.0004024600000000, 0.0007523500000000, -0.0005877600000000 ] - [ -0.0002180600000000, -0.0004336300000000, 0.0002466300000000 ] - [ -0.0002534900000000, 0.0007312700000000, 0.0003556900000000 ] - [ 0.0002383300000000, 0.0002152000000000, -0.0006619200000000 ] - [ -0.0003075000000000, -0.0000229900000000, 0.0006923900000000 ] - [ -0.0002106700000000, 0.0011397100000000, -0.0001592400000000 ] - [ -0.0001999100000000, 0.0005486400000000, -0.0004420100000000 ] - [ -0.0001739900000000, 0.0012521300000000, 0.0008892600000000 ] - [ 0.0001030400000000, 0.0007237800000000, -0.0000265700000000 ] - [ 0.0003082200000000, 0.0018092700000000, -0.0001288100000000 ]- atom: 84 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019266800000000, -0.0043056500000000, -0.0039398700000000 ] - [ -0.0177492500000000, -0.0230308100000000, -0.0087992400000000 ] - [ -0.0003216100000000, 0.0017757500000000, -0.0000810500000000 ] - [ -0.0003058400000000, 0.0009247100000000, -0.0004573700000000 ] - [ 0.0001562400000000, 0.0004805200000000, 0.0000592800000000 ] - [ 0.0000630400000000, 0.0001820500000000, 0.0009200800000000 ] - [ -0.0000072300000000, 0.0001842500000000, 0.0010169400000000 ] - [ -0.0000591800000000, 0.0019330500000000, -0.0002112500000000 ] - [ -0.0004288900000000, 0.0008196500000000, -0.0004896000000000 ] - [ 0.0021894600000000, 0.0039194500000000, 0.0001360700000000 ] - [ -0.0007805600000000, 0.0001860400000000, 0.0000082500000000 ] - [ -0.0002736300000000, -0.0010237700000000, 0.0007295900000000 ] - [ 0.0061720700000000, -0.0080840700000000, -0.0023106800000000 ] - [ -0.0006376100000000, 0.0013549300000000, -0.0010500100000000 ] - [ -0.0002861400000000, 0.0011576900000000, -0.0000259600000000 ] - [ -0.0026322500000000, -0.0041739900000000, -0.0052063600000000 ] - [ 0.0004264600000000, 0.0007332200000000, -0.0005150100000000 ] - [ 0.0007422000000000, 0.0000309100000000, 0.0000649500000000 ] - [ -0.0006023800000000, 0.0004876500000000, 0.0005040300000000 ] - [ 0.0007528800000000, -0.0012335500000000, 0.0013497200000000 ] - [ -0.0004252900000000, 0.0024666600000000, -0.0008148100000000 ] - [ -0.0001490400000000, 0.0010684800000000, 0.0004445200000000 ] - [ 0.0001661200000000, 0.0010394400000000, 0.0006961600000000 ] - [ -0.0000821500000000, 0.0005548000000000, 0.0004823100000000 ] - [ -0.0013593800000000, -0.0015318200000000, 0.0015475500000000 ] - [ 0.0005710300000000, 0.0011356100000000, 0.0000175900000000 ] - [ -0.0004538200000000, -0.0017024500000000, 0.0003858300000000 ] - [ 0.0000110000000000, 0.0009942200000000, -0.0000659300000000 ] - [ -0.0000306800000000, 0.0007578300000000, -0.0000142000000000 ] - [ 0.0000534600000000, 0.0005506000000000, 0.0001857900000000 ] - [ 0.0000927300000000, -0.0001234800000000, 0.0003709100000000 ] - [ 0.0003209500000000, 0.0008220300000000, -0.0004894600000000 ] - [ -0.0023641300000000, -0.0082358200000000, -0.0009246400000000 ] - [ 0.0006695400000000, -0.0014265200000000, -0.0004293000000000 ] - [ 0.0000835600000000, 0.0020275500000000, -0.0005917700000000 ] - [ 0.0009754400000000, 0.0022757500000000, 0.0013491300000000 ] - [ 0.0000643400000000, 0.0009622700000000, -0.0012602900000000 ] - [ 0.0005344800000000, 0.0018868800000000, -0.0004839100000000 ] - [ -0.0001870300000000, -0.0017669800000000, 0.0013448900000000 ] - [ -0.0002293200000000, -0.0000415600000000, -0.0022200600000000 ] - [ 0.0006586000000000, -0.0061869700000000, -0.0015158100000000 ] - [ -0.0005855100000000, 0.0013751600000000, -0.0008258000000000 ] - [ 0.0000073100000000, -0.0036655100000000, 0.0027242500000000 ] - [ 0.0002787800000000, 0.0018069400000000, 0.0003547700000000 ] - [ 0.0002909800000000, 0.0022816400000000, -0.0002025600000000 ] - [ -0.0005408900000000, 0.0042137300000000, 0.0037713100000000 ] - [ -0.0008426900000000, 0.0012135900000000, -0.0011485300000000 ] - [ -0.0130630800000000, -0.1048991500000000, -0.0246524500000000 ] - [ -0.0005229700000000, 0.0015872800000000, -0.0001922500000000 ] - [ 0.0010295500000000, 0.0017782400000000, -0.0007774200000000 ] - [ 0.0006618100000000, -0.0029640300000000, 0.0016925500000000 ] - [ 0.0007139100000000, 0.0022669500000000, 0.0003100100000000 ] - [ 0.0005921000000000, -0.0132231100000000, -0.0032308800000000 ] - [ -0.0000194200000000, -0.0029463700000000, -0.0002187400000000 ] - [ -0.0005088200000000, 0.0016070200000000, -0.0007765300000000 ] - [ -0.0002917200000000, 0.0019485500000000, -0.0008717900000000 ] - [ 0.0005817500000000, 0.0015635700000000, -0.0009530800000000 ] - [ -0.0007169800000000, -0.0001211200000000, -0.0021264900000000 ] - [ -0.0000393200000000, 0.0009938700000000, -0.0011889700000000 ] - [ 0.0003174300000000, 0.0031629800000000, 0.0015197000000000 ] - [ -0.0001745000000000, 0.0023779600000000, 0.0006819600000000 ] - [ -0.0006654000000000, 0.0005660700000000, 0.0008331000000000 ] - [ -0.0008066700000000, 0.0028829300000000, -0.0005384700000000 ] - [ -0.0000823800000000, 0.0017463200000000, -0.0004860300000000 ] - [ 0.0002543400000000, -0.0013167200000000, 0.0005182300000000 ] - [ -0.0003275900000000, -0.0019960300000000, -0.0006573300000000 ] - [ -0.0000567300000000, -0.0010367200000000, 0.0007370100000000 ] - [ -0.0004013200000000, -0.0021043300000000, 0.0000428100000000 ] - [ -0.0001373800000000, -0.0003640600000000, 0.0000168200000000 ] - [ 0.0000515300000000, -0.0004280600000000, 0.0007539500000000 ] - [ 0.0002142200000000, -0.0015223600000000, -0.0005227400000000 ] - [ -0.0003477100000000, 0.0030864000000000, -0.0008017500000000 ] - [ -0.0004133500000000, -0.0008644600000000, -0.0006172100000000 ] - [ 0.0012962500000000, -0.0007777700000000, 0.0014530300000000 ] - [ 0.0002876000000000, 0.0001332900000000, -0.0003914200000000 ] - [ 0.0004494100000000, -0.0008618000000000, 0.0005347000000000 ] - [ -0.0004800800000000, 0.0018038900000000, 0.0013598800000000 ] - [ -0.0002861000000000, -0.0005814200000000, -0.0004004000000000 ] - [ -0.0004325400000000, 0.0058178800000000, 0.0012404300000000 ] - [ -0.0010987900000000, -0.0010715100000000, 0.0003239800000000 ] - [ 0.0001283200000000, -0.0017923000000000, -0.0011627100000000 ] - [ -0.0029997300000000, -0.0011413700000000, 0.0068624200000000 ] - [ 0.0079633400000000, -0.0037604400000000, -0.0021712400000000 ] - [ 0.0430350300000000, 0.1634701200000000, 0.0534307600000000 ] - [ -0.0017480100000000, 0.0093782600000000, 0.0002176000000000 ] - [ 0.0014832500000000, 0.0045376200000000, -0.0071741700000000 ] - [ 0.0002480500000000, -0.0007594400000000, 0.0002885300000000 ] - [ 0.0011733100000000, -0.0006022900000000, -0.0008138500000000 ] - [ 0.0035431900000000, 0.0006468800000000, 0.0049448700000000 ] - [ -0.0002438500000000, -0.0005636300000000, 0.0005681600000000 ] - [ -0.0006129900000000, -0.0015018400000000, 0.0004148200000000 ] - [ 0.0000692600000000, -0.0001056600000000, 0.0001952200000000 ] - [ 0.0005993200000000, -0.0012709500000000, 0.0002902800000000 ] - [ -0.0132429400000000, -0.0026261400000000, -0.0011063600000000 ] - [ -0.0008662300000000, -0.0011599500000000, -0.0002664300000000 ] - [ -0.0002942200000000, -0.0002616900000000, -0.0000430100000000 ] - [ -0.0010631900000000, -0.0007625300000000, 0.0018041900000000 ] - [ -0.0005675700000000, -0.0060606400000000, -0.0004368500000000 ] - [ 0.0008625200000000, 0.0050255700000000, -0.0054197300000000 ] - [ -0.0002728600000000, -0.0006652200000000, 0.0008933700000000 ] - [ -0.0000665500000000, 0.0000048100000000, 0.0011300600000000 ] - [ 0.0004441000000000, -0.0020285700000000, -0.0001606800000000 ] - [ -0.0000094600000000, -0.0000986000000000, 0.0015606700000000 ] - [ -0.0008718300000000, -0.0000148400000000, -0.0001959200000000 ] - [ -0.0005946800000000, 0.0017618400000000, -0.0001488500000000 ] - [ 0.0003435400000000, -0.0010784800000000, 0.0008669700000000 ] - [ 0.0000889000000000, -0.0008306300000000, 0.0002527100000000 ] - [ 0.0003607800000000, 0.0002685100000000, 0.0002348800000000 ] - [ -0.0002897900000000, 0.0000896600000000, 0.0000149700000000 ] - [ 0.0001565800000000, -0.0011602700000000, 0.0002915900000000 ] - [ -0.0039357900000000, -0.0129241500000000, 0.0057436300000000 ] - [ -0.0002120500000000, -0.0003690800000000, -0.0006304400000000 ] - [ -0.0000940400000000, 0.0031054700000000, -0.0009933900000000 ] - [ -0.0009749100000000, 0.0039483500000000, 0.0018103200000000 ] - [ -0.0003949400000000, -0.0008756100000000, -0.0002263300000000 ] - [ -0.0001993500000000, 0.0008678500000000, -0.0009705800000000 ] - [ 0.0002614500000000, -0.0000092500000000, 0.0002560700000000 ] - [ -0.0001013400000000, 0.0005066800000000, 0.0007120200000000 ] - [ 0.0000021600000000, 0.0003311700000000, -0.0008279400000000 ] - [ 0.0013212800000000, -0.0012946400000000, -0.0039301800000000 ] - [ 0.0003096600000000, -0.0013881300000000, 0.0000623200000000 ] - [ -0.0002795700000000, -0.0015027000000000, -0.0003468700000000 ] - [ -0.0000963300000000, -0.0006717100000000, 0.0007452800000000 ] - [ -0.0005896900000000, 0.0004240600000000, 0.0007223000000000 ] - [ -0.0005216400000000, -0.0008859000000000, -0.0000784200000000 ] - [ 0.0002389400000000, -0.0011682400000000, 0.0010639500000000 ] - [ 0.0003185500000000, 0.0000998100000000, -0.0004257200000000 ] - [ -0.0004899400000000, -0.0002995200000000, 0.0009622800000000 ] - [ -0.0001991500000000, 0.0006203100000000, -0.0013018000000000 ] - [ 0.0004059000000000, -0.0007322500000000, 0.0000684100000000 ] - [ -0.0000584300000000, -0.0007666100000000, -0.0000350000000000 ] - [ 0.0002063700000000, -0.0001738300000000, 0.0004918200000000 ] - [ -0.0002586200000000, -0.0006041100000000, 0.0004907200000000 ] - [ -0.0000712500000000, -0.0012024600000000, -0.0008526900000000 ] - [ -0.0003349900000000, -0.0010794400000000, -0.0003329700000000 ] - [ 0.0000242500000000, -0.0003532800000000, 0.0008531900000000 ] - [ 0.0001640900000000, -0.0017977900000000, -0.0009645100000000 ] - [ -0.0000379600000000, -0.0005844900000000, 0.0000611400000000 ] - [ 0.0008974500000000, 0.0000818600000000, -0.0002487500000000 ] - [ 0.0005327000000000, -0.0000244900000000, 0.0001578900000000 ] - [ 0.0004904700000000, -0.0001989700000000, 0.0008935500000000 ] - [ 0.0002962900000000, -0.0002365300000000, -0.0001020300000000 ] - [ 0.0005930400000000, 0.0003528200000000, -0.0011858100000000 ] - [ -0.0000891900000000, -0.0003228100000000, -0.0003753600000000 ] - [ -0.0001087000000000, -0.0002589200000000, -0.0001482000000000 ] - [ -0.0002041600000000, -0.0007517700000000, 0.0003185000000000 ] - [ -0.0004909300000000, 0.0001698000000000, 0.0001176100000000 ] - [ -0.0003266000000000, 0.0044477700000000, 0.0009671600000000 ] - [ 0.0011765200000000, -0.0010380600000000, 0.0007639800000000 ] - [ 0.0008532500000000, -0.0010911200000000, -0.0003041600000000 ] - [ -0.0011846200000000, 0.0003456100000000, -0.0005302800000000 ] - [ -0.0006593400000000, 0.0039457400000000, 0.0004369200000000 ] - [ -0.0001331900000000, -0.0010957600000000, 0.0005087900000000 ] - [ 0.0000515800000000, -0.0001100300000000, 0.0008739500000000 ] - [ -0.0000894800000000, -0.0001022400000000, 0.0001618500000000 ] - [ -0.0003673300000000, 0.0013943400000000, 0.0003367900000000 ] - [ -0.0001555900000000, -0.0006357700000000, 0.0011552600000000 ] - [ -0.0016241400000000, -0.0087869700000000, -0.0052125500000000 ] - [ 0.0000456100000000, -0.0005203900000000, 0.0002452300000000 ] - [ -0.0006053200000000, 0.0014239400000000, -0.0005470300000000 ] - [ -0.0005346500000000, -0.0001558000000000, 0.0001600500000000 ] - [ -0.0016659600000000, 0.0019736000000000, -0.0113587800000000 ] - [ 0.0001520300000000, -0.0003120200000000, 0.0003093500000000 ] - [ 0.0003445300000000, -0.0012999700000000, -0.0002263200000000 ] - [ -0.0001055700000000, -0.0015190600000000, 0.0004120700000000 ] - [ 0.0002292600000000, -0.0009974300000000, -0.0003197600000000 ] - [ 0.0002408000000000, -0.0001925000000000, -0.0007025900000000 ] - [ -0.0004239300000000, 0.0009856700000000, -0.0015344200000000 ] - [ -0.0003438400000000, -0.0011318200000000, 0.0009290400000000 ] - [ 0.0004040200000000, -0.0007687200000000, -0.0006286400000000 ] - [ -0.0004129000000000, -0.0005482900000000, -0.0008301800000000 ] - [ 0.0000196800000000, -0.0004311200000000, -0.0001043300000000 ] - [ 0.0001977600000000, -0.0005450200000000, 0.0000547600000000 ] - [ -0.0000036800000000, -0.0005500100000000, 0.0008638800000000 ] - [ 0.0001495800000000, -0.0003080800000000, -0.0002524700000000 ] - [ 0.0002464400000000, -0.0006600800000000, 0.0006514500000000 ]- atom: 84 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0019246200000000, 0.0018697800000000, -0.0010852800000000 ] - [ 0.0150402800000000, 0.0111538000000000, 0.0069078300000000 ] - [ -0.0007126700000000, 0.0003412600000000, 0.0001931100000000 ] - [ -0.0003911500000000, -0.0001060000000000, -0.0004728600000000 ] - [ 0.0000031700000000, 0.0000715700000000, -0.0001637500000000 ] - [ 0.0001419600000000, -0.0002699400000000, -0.0004471400000000 ] - [ -0.0000815500000000, -0.0003766300000000, 0.0000406700000000 ] - [ -0.0000968400000000, 0.0000768800000000, 0.0012335400000000 ] - [ -0.0003625000000000, -0.0002027300000000, -0.0004666600000000 ] - [ 0.0013530600000000, 0.0015383200000000, 0.0010477800000000 ] - [ -0.0006265300000000, -0.0007253200000000, 0.0000718800000000 ] - [ 0.0001378400000000, 0.0004583400000000, -0.0019749400000000 ] - [ -0.0026595200000000, 0.0024121500000000, 0.0013250400000000 ] - [ 0.0002154300000000, 0.0001362900000000, 0.0012440100000000 ] - [ -0.0000135500000000, -0.0003181800000000, 0.0001503200000000 ] - [ -0.0013507300000000, 0.0030221000000000, -0.0014434800000000 ] - [ 0.0003612800000000, -0.0001137600000000, -0.0005157900000000 ] - [ 0.0006307000000000, -0.0007626700000000, -0.0000516600000000 ] - [ -0.0006618900000000, 0.0003994400000000, -0.0005823800000000 ] - [ -0.0020784000000000, -0.0008366400000000, -0.0023307200000000 ] - [ -0.0001563100000000, -0.0002925500000000, 0.0008656400000000 ] - [ 0.0000340200000000, -0.0002509700000000, 0.0004774800000000 ] - [ -0.0000279600000000, -0.0002651000000000, 0.0006770000000000 ] - [ -0.0000070400000000, 0.0000276000000000, 0.0004386900000000 ] - [ 0.0014697200000000, -0.0009111900000000, -0.0024428700000000 ] - [ 0.0006425700000000, 0.0007298700000000, -0.0001485400000000 ] - [ -0.0009512100000000, -0.0003275200000000, -0.0015613400000000 ] - [ -0.0000644300000000, -0.0000661900000000, 0.0000529400000000 ] - [ 0.0000412000000000, -0.0001188200000000, -0.0000604600000000 ] - [ 0.0000294900000000, -0.0000005200000000, 0.0001456600000000 ] - [ -0.0000356800000000, -0.0001695100000000, -0.0005978800000000 ] - [ 0.0003609200000000, -0.0000117100000000, -0.0005175200000000 ] - [ -0.0008187900000000, 0.0009488700000000, 0.0034255400000000 ] - [ 0.0013342200000000, 0.0019462400000000, -0.0006868100000000 ] - [ 0.0003122500000000, -0.0001363900000000, -0.0002643400000000 ] - [ 0.0005031900000000, 0.0001551000000000, 0.0000325500000000 ] - [ 0.0001897500000000, -0.0007611800000000, -0.0008651300000000 ] - [ 0.0002805500000000, -0.0003509600000000, -0.0002612800000000 ] - [ -0.0010290100000000, -0.0006684900000000, -0.0024818300000000 ] - [ -0.0001238400000000, 0.0013117100000000, -0.0011101200000000 ] - [ 0.0002050100000000, 0.0017271400000000, -0.0001132200000000 ] - [ -0.0004415900000000, 0.0003372000000000, -0.0002050100000000 ] - [ 0.0007489100000000, -0.0023504000000000, -0.0053776000000000 ] - [ 0.0005213000000000, -0.0007373400000000, -0.0009913200000000 ] - [ 0.0001463700000000, 0.0001143700000000, -0.0011584700000000 ] - [ -0.0004289000000000, -0.0041405600000000, 0.0001417900000000 ] - [ -0.0008908800000000, 0.0015819600000000, -0.0000316000000000 ] - [ 0.0053588700000000, 0.0302956500000000, 0.0305024800000000 ] - [ -0.0002832400000000, -0.0002538000000000, -0.0006199800000000 ] - [ 0.0007996300000000, -0.0007893800000000, 0.0001237100000000 ] - [ 0.0001204400000000, 0.0009683100000000, -0.0041438000000000 ] - [ 0.0007956300000000, 0.0002778700000000, -0.0002238500000000 ] - [ -0.0023027900000000, 0.0081973800000000, -0.0081941800000000 ] - [ 0.0003559900000000, 0.0002733000000000, -0.0027651000000000 ] - [ -0.0004840400000000, -0.0003372500000000, -0.0004574300000000 ] - [ -0.0001784100000000, 0.0007119700000000, -0.0006656500000000 ] - [ 0.0004598800000000, -0.0000970400000000, -0.0005714100000000 ] - [ -0.0005115300000000, 0.0003766200000000, -0.0008592600000000 ] - [ -0.0001981300000000, -0.0008716600000000, -0.0007666800000000 ] - [ 0.0004119300000000, -0.0012069800000000, -0.0007120200000000 ] - [ 0.0003549100000000, -0.0005889700000000, -0.0007479700000000 ] - [ -0.0007497600000000, -0.0013653400000000, -0.0001784900000000 ] - [ -0.0007063600000000, 0.0010639600000000, 0.0003375600000000 ] - [ -0.0003679700000000, -0.0002107200000000, -0.0005620900000000 ] - [ 0.0003143500000000, -0.0009630800000000, -0.0000474600000000 ] - [ -0.0002623000000000, -0.0000164300000000, 0.0004764700000000 ] - [ -0.0000275200000000, -0.0000493300000000, 0.0004996800000000 ] - [ -0.0004780300000000, -0.0008863000000000, 0.0003043400000000 ] - [ -0.0001661200000000, 0.0001518100000000, 0.0002764800000000 ] - [ 0.0002013600000000, -0.0005428200000000, 0.0012799400000000 ] - [ 0.0003096200000000, 0.0010306100000000, -0.0001935700000000 ] - [ -0.0005324200000000, 0.0001198500000000, 0.0015661600000000 ] - [ -0.0003076800000000, -0.0001961900000000, -0.0007043700000000 ] - [ 0.0005131500000000, -0.0006912400000000, -0.0001664800000000 ] - [ 0.0001770800000000, 0.0005660500000000, 0.0010829600000000 ] - [ 0.0001128200000000, 0.0000780400000000, -0.0000480600000000 ] - [ -0.0001828200000000, -0.0001667600000000, 0.0014018200000000 ] - [ 0.0000210800000000, -0.0001692100000000, 0.0001460900000000 ] - [ -0.0016445000000000, -0.0031533300000000, -0.0021526500000000 ] - [ 0.0004546300000000, 0.0006011600000000, 0.0008734000000000 ] - [ 0.0000842000000000, 0.0006015500000000, 0.0004734800000000 ] - [ 0.0001687100000000, -0.0004498400000000, -0.0024941100000000 ] - [ -0.0007663900000000, 0.0019830400000000, -0.0022118600000000 ] - [ -0.0207429100000000, -0.0539703600000000, -0.0503318700000000 ] - [ -0.0003209400000000, -0.0007373400000000, -0.0010606900000000 ] - [ -0.0014213000000000, 0.0000226500000000, 0.0054518300000000 ] - [ 0.0003105100000000, 0.0004153100000000, 0.0007750300000000 ] - [ -0.0006513300000000, 0.0003367300000000, -0.0002127400000000 ] - [ -0.0004167800000000, -0.0003118800000000, -0.0017702700000000 ] - [ -0.0000947600000000, -0.0010510000000000, -0.0006663100000000 ] - [ -0.0005587300000000, -0.0005044700000000, 0.0001716500000000 ] - [ 0.0001292100000000, 0.0005852900000000, 0.0003068400000000 ] - [ 0.0005628900000000, -0.0006287400000000, 0.0003156900000000 ] - [ 0.0083381400000000, 0.0024682000000000, -0.0028679300000000 ] - [ -0.0008790300000000, -0.0005121600000000, -0.0002891700000000 ] - [ -0.0003607100000000, 0.0003406200000000, -0.0000757600000000 ] - [ -0.0003859800000000, -0.0011434100000000, 0.0005120000000000 ] - [ 0.0000851800000000, 0.0020147500000000, 0.0001550800000000 ] - [ 0.0003291100000000, 0.0005472900000000, 0.0080184100000000 ] - [ -0.0002816800000000, 0.0006519800000000, 0.0001907000000000 ] - [ 0.0004756400000000, -0.0004660700000000, 0.0013147800000000 ] - [ 0.0004471300000000, -0.0006128600000000, 0.0006844700000000 ] - [ 0.0001468900000000, 0.0001787100000000, -0.0003658300000000 ] - [ -0.0008660600000000, 0.0006584800000000, -0.0003011000000000 ] - [ -0.0006866500000000, 0.0010697300000000, 0.0013983700000000 ] - [ 0.0002927800000000, -0.0000885900000000, 0.0006463700000000 ] - [ 0.0002517700000000, -0.0001169100000000, -0.0004431900000000 ] - [ 0.0002729600000000, -0.0009357900000000, -0.0000609100000000 ] - [ -0.0003324700000000, 0.0001938200000000, -0.0001286100000000 ] - [ 0.0001087600000000, -0.0003503600000000, 0.0003059600000000 ] - [ -0.0023924300000000, -0.0090821000000000, -0.0020549700000000 ] - [ -0.0003372700000000, 0.0003929600000000, -0.0007373500000000 ] - [ -0.0005649700000000, -0.0018017700000000, 0.0030521600000000 ] - [ 0.0023355400000000, -0.0026257300000000, -0.0030976100000000 ] - [ -0.0003346600000000, -0.0001215100000000, -0.0000287400000000 ] - [ -0.0000402500000000, 0.0005089800000000, -0.0000550000000000 ] - [ -0.0003761800000000, -0.0002865500000000, -0.0001825800000000 ] - [ -0.0004217000000000, 0.0000566600000000, 0.0021116300000000 ] - [ 0.0002219700000000, 0.0009256500000000, 0.0011406100000000 ] - [ -0.0001949400000000, 0.0031268600000000, 0.0012140800000000 ] - [ 0.0002828400000000, -0.0008126800000000, 0.0001993100000000 ] - [ -0.0002583000000000, 0.0002017400000000, 0.0007069100000000 ] - [ -0.0001252100000000, -0.0002607400000000, 0.0011423400000000 ] - [ -0.0004279300000000, -0.0011618000000000, 0.0010646100000000 ] - [ -0.0000425400000000, 0.0004739300000000, -0.0000340000000000 ] - [ 0.0000274900000000, -0.0002597200000000, 0.0006017900000000 ] - [ 0.0003192700000000, 0.0006219600000000, -0.0001053900000000 ] - [ -0.0004601500000000, 0.0010875600000000, 0.0002977100000000 ] - [ -0.0003433600000000, -0.0002034100000000, 0.0008049600000000 ] - [ 0.0003755600000000, -0.0003121100000000, -0.0001084400000000 ] - [ 0.0001834400000000, 0.0001038400000000, 0.0001283400000000 ] - [ 0.0001826200000000, -0.0001268400000000, 0.0003218700000000 ] - [ -0.0002984100000000, 0.0002207800000000, 0.0005781300000000 ] - [ -0.0001393100000000, 0.0001682700000000, -0.0002901000000000 ] - [ -0.0003089700000000, -0.0002737100000000, -0.0001356800000000 ] - [ 0.0000394000000000, 0.0001304600000000, 0.0010789200000000 ] - [ 0.0000894300000000, -0.0000606200000000, 0.0000011800000000 ] - [ -0.0001653000000000, 0.0000171700000000, 0.0001793000000000 ] - [ 0.0008748000000000, 0.0006454800000000, -0.0002194000000000 ] - [ 0.0005717000000000, 0.0007596500000000, 0.0002993000000000 ] - [ 0.0004464500000000, 0.0010229600000000, 0.0004311400000000 ] - [ 0.0003746100000000, 0.0003698700000000, -0.0000660900000000 ] - [ 0.0004679400000000, 0.0006847800000000, 0.0005307300000000 ] - [ -0.0000477000000000, 0.0001253400000000, -0.0001292300000000 ] - [ -0.0000990900000000, 0.0002668400000000, -0.0000746300000000 ] - [ -0.0001021600000000, -0.0003742600000000, -0.0001093300000000 ] - [ -0.0006615000000000, -0.0007992600000000, 0.0007396100000000 ] - [ 0.0027679000000000, -0.0001728200000000, 0.0022561300000000 ] - [ -0.0000559200000000, -0.0001487800000000, -0.0008423600000000 ] - [ 0.0008646300000000, -0.0005048400000000, -0.0002142900000000 ] - [ -0.0006955800000000, -0.0007065100000000, 0.0005573000000000 ] - [ -0.0021979400000000, -0.0005842200000000, 0.0025063800000000 ] - [ -0.0001358300000000, -0.0005236000000000, 0.0002606800000000 ] - [ 0.0001164100000000, 0.0004713000000000, 0.0009999200000000 ] - [ -0.0001286300000000, 0.0006148800000000, 0.0003131400000000 ] - [ -0.0000346900000000, -0.0034742100000000, 0.0036399600000000 ] - [ -0.0000143800000000, -0.0000348200000000, 0.0008786100000000 ] - [ 0.0011993800000000, 0.0017270600000000, 0.0000412100000000 ] - [ 0.0001095700000000, 0.0003148400000000, -0.0000891300000000 ] - [ -0.0008928800000000, 0.0004013900000000, 0.0004362900000000 ] - [ -0.0005717700000000, 0.0007574400000000, 0.0002385700000000 ] - [ 0.0035844400000000, 0.0085998400000000, 0.0175580200000000 ] - [ 0.0000998100000000, -0.0003377300000000, 0.0001110600000000 ] - [ 0.0003084600000000, -0.0003746500000000, -0.0002135300000000 ] - [ -0.0001894600000000, 0.0000441800000000, -0.0002042700000000 ] - [ -0.0001853200000000, 0.0005164100000000, 0.0002872500000000 ] - [ 0.0003313400000000, 0.0003138200000000, -0.0005488800000000 ] - [ -0.0003168700000000, 0.0003255500000000, 0.0008702600000000 ] - [ -0.0002925200000000, -0.0000806600000000, 0.0005727800000000 ] - [ 0.0003117700000000, -0.0002188400000000, -0.0005939400000000 ] - [ -0.0001599600000000, 0.0002931200000000, 0.0001340100000000 ] - [ -0.0001107700000000, 0.0006360800000000, -0.0002280200000000 ] - [ 0.0000273500000000, -0.0000448000000000, -0.0002215500000000 ] - [ -0.0000649700000000, 0.0003186900000000, 0.0006982500000000 ] - [ 0.0001638200000000, 0.0002731600000000, -0.0001991800000000 ] - [ 0.0002791100000000, 0.0008159300000000, 0.0002068900000000 ]- atom: 84 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0011794200000000, -0.0019820000000000, 0.0000804700000000 ] - [ -0.0137553200000000, -0.0125710100000000, -0.0067680200000000 ] - [ -0.0005774900000000, 0.0009534900000000, -0.0001685100000000 ] - [ -0.0003467600000000, 0.0002076600000000, -0.0005116300000000 ] - [ 0.0000762400000000, -0.0000956900000000, 0.0001490800000000 ] - [ -0.0001412600000000, 0.0002710600000000, 0.0010575200000000 ] - [ 0.0000813500000000, 0.0003772900000000, 0.0010656600000000 ] - [ 0.0000971800000000, -0.0000781600000000, -0.0001286600000000 ] - [ -0.0003757400000000, 0.0001059500000000, -0.0005177600000000 ] - [ -0.0000547900000000, -0.0002303400000000, -0.0010176500000000 ] - [ -0.0006651000000000, -0.0005638900000000, -0.0000469900000000 ] - [ -0.0002182600000000, -0.0004322600000000, 0.0019551600000000 ] - [ 0.0027114200000000, -0.0024103800000000, -0.0012941000000000 ] - [ -0.0002170200000000, -0.0001382100000000, -0.0006355700000000 ] - [ -0.0000662400000000, 0.0002945800000000, -0.0001653100000000 ] - [ 0.0020770900000000, -0.0029433400000000, 0.0004399200000000 ] - [ 0.0003766800000000, 0.0000168300000000, -0.0004689100000000 ] - [ 0.0006606100000000, -0.0005279300000000, 0.0000760500000000 ] - [ -0.0006285900000000, 0.0008895800000000, 0.0006057200000000 ] - [ 0.0013193100000000, 0.0009252600000000, 0.0013372100000000 ] - [ 0.0002327800000000, 0.0002758500000000, -0.0008800300000000 ] - [ -0.0000342200000000, 0.0002540400000000, 0.0001344900000000 ] - [ 0.0000281500000000, 0.0002676400000000, 0.0004308000000000 ] - [ 0.0000066000000000, -0.0000256300000000, 0.0006670500000000 ] - [ -0.0021857000000000, 0.0007997900000000, 0.0014496700000000 ] - [ 0.0006482100000000, 0.0005646200000000, 0.0001730100000000 ] - [ -0.0003410200000000, -0.0009662200000000, 0.0015813600000000 ] - [ -0.0000143400000000, 0.0000959500000000, -0.0000678000000000 ] - [ 0.0000377200000000, 0.0001469200000000, 0.0000452800000000 ] - [ -0.0000289100000000, 0.0000023000000000, 0.0004635700000000 ] - [ -0.0000430900000000, 0.0001411200000000, 0.0005814000000000 ] - [ 0.0003772900000000, 0.0001131800000000, -0.0004669300000000 ] - [ 0.0001998400000000, -0.0010795600000000, -0.0042782700000000 ] - [ 0.0001630600000000, -0.0037963700000000, 0.0007745600000000 ] - [ 0.0003088700000000, 0.0002689000000000, -0.0005960800000000 ] - [ 0.0009897300000000, 0.0017263100000000, 0.0000649600000000 ] - [ 0.0001644000000000, -0.0004509100000000, -0.0008630200000000 ] - [ 0.0003418100000000, 0.0002294300000000, -0.0005988100000000 ] - [ 0.0000784500000000, 0.0006621100000000, 0.0013752000000000 ] - [ -0.0002288700000000, -0.0000959800000000, -0.0006252200000000 ] - [ 0.0007517700000000, -0.0017414200000000, -0.0009783300000000 ] - [ -0.0005137200000000, -0.0003301800000000, -0.0009079200000000 ] - [ -0.0011148800000000, 0.0011279700000000, 0.0036638300000000 ] - [ 0.0004341900000000, 0.0007448300000000, -0.0001203200000000 ] - [ 0.0002084500000000, 0.0011075700000000, -0.0005667500000000 ] - [ -0.0010691300000000, 0.0022880600000000, -0.0000522200000000 ] - [ -0.0006041200000000, 0.0002797600000000, 0.0001239600000000 ] - [ -0.0058365000000000, -0.0295721200000000, -0.0314025400000000 ] - [ -0.0003390900000000, 0.0001318800000000, -0.0002398500000000 ] - [ 0.0006965900000000, -0.0010585400000000, -0.0000391700000000 ] - [ 0.0005012100000000, -0.0008483800000000, 0.0032741000000000 ] - [ 0.0006992200000000, 0.0015827300000000, 0.0003115900000000 ] - [ 0.0026516800000000, -0.0093846500000000, 0.0064924000000000 ] - [ 0.0002653200000000, -0.0004099800000000, 0.0018974100000000 ] - [ -0.0004716600000000, 0.0003385600000000, -0.0006561700000000 ] - [ -0.0001763200000000, 0.0005090800000000, -0.0010609300000000 ] - [ 0.0004960900000000, 0.0000996800000000, -0.0005434600000000 ] - [ -0.0004464100000000, -0.0003745000000000, -0.0002635900000000 ] - [ -0.0001560000000000, -0.0003414200000000, -0.0009607300000000 ] - [ 0.0005430300000000, 0.0012153700000000, -0.0003900300000000 ] - [ -0.0000004900000000, 0.0018108400000000, -0.0009673000000000 ] - [ -0.0007444800000000, -0.0004912400000000, 0.0002687700000000 ] - [ -0.0007885400000000, 0.0008036200000000, -0.0002510000000000 ] - [ -0.0002530800000000, 0.0003428600000000, -0.0002983900000000 ] - [ 0.0002403000000000, -0.0001841000000000, 0.0005711300000000 ] - [ -0.0002929000000000, -0.0011296300000000, 0.0000449700000000 ] - [ -0.0001500900000000, -0.0006498400000000, 0.0012541300000000 ] - [ -0.0004373500000000, -0.0009193400000000, 0.0005587400000000 ] - [ -0.0001390900000000, -0.0000934700000000, -0.0000010900000000 ] - [ -0.0000238100000000, -0.0001536300000000, 0.0004714000000000 ] - [ 0.0003138800000000, -0.0001836800000000, -0.0001793100000000 ] - [ -0.0003827800000000, 0.0016885500000000, -0.0007025100000000 ] - [ -0.0003351300000000, -0.0003623800000000, -0.0005871800000000 ] - [ 0.0002112900000000, 0.0001156300000000, 0.0000294200000000 ] - [ 0.0001271300000000, -0.0006261600000000, -0.0008097600000000 ] - [ 0.0001919400000000, -0.0000200000000000, 0.0003232300000000 ] - [ -0.0004157800000000, 0.0005784300000000, -0.0001088900000000 ] - [ -0.0002735900000000, -0.0002453100000000, -0.0004264000000000 ] - [ 0.0009783500000000, 0.0022707900000000, 0.0017825700000000 ] - [ -0.0004531300000000, -0.0006063000000000, 0.0010769000000000 ] - [ 0.0001072000000000, -0.0013100000000000, -0.0007395400000000 ] - [ -0.0004773800000000, 0.0003896000000000, 0.0027698700000000 ] - [ 0.0025048500000000, -0.0008220200000000, 0.0016779300000000 ] - [ 0.0217552800000000, 0.0547747300000000, 0.0505235500000000 ] - [ 0.0012331700000000, 0.0025513800000000, 0.0019060600000000 ] - [ 0.0021744900000000, 0.0005525000000000, -0.0056103300000000 ] - [ 0.0002867500000000, -0.0000128200000000, 0.0005103000000000 ] - [ 0.0006510500000000, -0.0003391000000000, -0.0001756100000000 ] - [ 0.0001607500000000, 0.0007276600000000, 0.0014743300000000 ] - [ -0.0000960700000000, 0.0003429100000000, 0.0004005200000000 ] - [ -0.0005734400000000, -0.0008209900000000, 0.0003418600000000 ] - [ 0.0001180200000000, 0.0004488000000000, 0.0002817300000000 ] - [ 0.0005694200000000, -0.0006962300000000, 0.0001976700000000 ] - [ -0.0065781100000000, -0.0036489800000000, 0.0023031900000000 ] - [ -0.0008635100000000, -0.0006494800000000, -0.0002220800000000 ] - [ -0.0003579000000000, 0.0002287600000000, -0.0000682300000000 ] - [ 0.0001327800000000, 0.0001022500000000, 0.0000849500000000 ] - [ 0.0000948300000000, -0.0013311200000000, 0.0016007600000000 ] - [ -0.0006101900000000, 0.0004868000000000, -0.0075053700000000 ] - [ -0.0002735600000000, 0.0004859500000000, 0.0003350600000000 ] - [ -0.0004723800000000, 0.0004639200000000, 0.0006366100000000 ] - [ 0.0004678100000000, -0.0011932100000000, 0.0001785400000000 ] - [ 0.0000434900000000, 0.0005299200000000, 0.0000966900000000 ] - [ -0.0008769100000000, 0.0005004400000000, -0.0002097700000000 ] - [ -0.0004462000000000, 0.0002577400000000, -0.0008815900000000 ] - [ 0.0003047700000000, -0.0003195600000000, 0.0006406800000000 ] - [ 0.0000007500000000, -0.0002978200000000, 0.0001638800000000 ] - [ 0.0003500000000000, 0.0000823100000000, -0.0003125700000000 ] - [ -0.0002908700000000, 0.0006559000000000, -0.0002445900000000 ] - [ 0.0001389000000000, -0.0006875100000000, 0.0002832200000000 ] - [ 0.0030378300000000, 0.0096157700000000, 0.0007776600000000 ] - [ -0.0003050800000000, 0.0001619100000000, -0.0005534500000000 ] - [ -0.0000306400000000, 0.0014031600000000, -0.0017614500000000 ] - [ -0.0016839200000000, 0.0020698200000000, 0.0018079300000000 ] - [ -0.0003844100000000, -0.0004512900000000, -0.0001156500000000 ] - [ -0.0001506900000000, 0.0001959800000000, -0.0002105400000000 ] - [ 0.0003738500000000, 0.0002852300000000, -0.0002044800000000 ] - [ 0.0002434300000000, 0.0006372900000000, -0.0003566700000000 ] - [ 0.0000306700000000, -0.0005134400000000, -0.0014239800000000 ] - [ 0.0007550300000000, -0.0019954500000000, -0.0007135600000000 ] - [ 0.0002718200000000, -0.0003312700000000, 0.0003227900000000 ] - [ -0.0002962600000000, -0.0013432000000000, -0.0001836300000000 ] - [ -0.0000523300000000, -0.0004353300000000, 0.0006105300000000 ] - [ -0.0004877000000000, -0.0006338100000000, -0.0001940600000000 ] - [ -0.0002628100000000, -0.0004151700000000, 0.0003064800000000 ] - [ 0.0001500000000000, -0.0004393800000000, 0.0011500100000000 ] - [ 0.0003045000000000, 0.0002293900000000, -0.0002687100000000 ] - [ -0.0004554700000000, 0.0007114000000000, 0.0005678900000000 ] - [ -0.0002982200000000, -0.0003493100000000, -0.0020966000000000 ] - [ 0.0003436000000000, -0.0002602300000000, -0.0000352300000000 ] - [ 0.0001210300000000, -0.0001655700000000, 0.0001461600000000 ] - [ 0.0001226500000000, 0.0001856100000000, -0.0000439800000000 ] - [ -0.0002987700000000, 0.0001821100000000, 0.0007074400000000 ] - [ -0.0001135500000000, -0.0005835100000000, 0.0000047800000000 ] - [ -0.0003144700000000, -0.0005788300000000, -0.0002373600000000 ] - [ -0.0000389200000000, -0.0001307200000000, 0.0008726300000000 ] - [ 0.0001015200000000, -0.0006491600000000, -0.0002692000000000 ] - [ -0.0001394400000000, -0.0000787600000000, 0.0000961300000000 ] - [ 0.0008677800000000, 0.0005134300000000, -0.0002911400000000 ] - [ 0.0005604200000000, 0.0005613400000000, 0.0002138100000000 ] - [ 0.0004686800000000, 0.0007762400000000, 0.0004351500000000 ] - [ 0.0003443200000000, 0.0001997600000000, -0.0000779800000000 ] - [ 0.0001306600000000, -0.0002830900000000, 0.0007431100000000 ] - [ 0.0000469000000000, -0.0001254800000000, -0.0002576200000000 ] - [ -0.0001530800000000, 0.0001447400000000, -0.0002051700000000 ] - [ -0.0000889900000000, -0.0003318900000000, -0.0001530300000000 ] - [ -0.0004708700000000, -0.0005208300000000, -0.0002248700000000 ] - [ -0.0024969300000000, 0.0012070700000000, -0.0016548400000000 ] - [ 0.0011895800000000, -0.0011722300000000, 0.0013521900000000 ] - [ 0.0008779900000000, -0.0006576200000000, -0.0002964800000000 ] - [ -0.0010491700000000, -0.0004505000000000, -0.0010659500000000 ] - [ 0.0014612000000000, 0.0011506500000000, -0.0026330400000000 ] - [ -0.0001119000000000, -0.0005139700000000, 0.0003286100000000 ] - [ 0.0000610100000000, 0.0002233900000000, 0.0007523100000000 ] - [ -0.0001186200000000, 0.0004195000000000, 0.0002748800000000 ] - [ -0.0005185200000000, 0.0045980200000000, -0.0031009200000000 ] - [ 0.0000137600000000, 0.0000319300000000, 0.0010735500000000 ] - [ -0.0002948300000000, -0.0035767200000000, 0.0007820400000000 ] - [ 0.0000813300000000, 0.0003867200000000, -0.0001738200000000 ] - [ -0.0008473500000000, 0.0007623300000000, -0.0009451400000000 ] - [ -0.0005604800000000, 0.0005633600000000, 0.0002742900000000 ] - [ -0.0029463800000000, -0.0087876800000000, -0.0158397500000000 ] - [ 0.0001526900000000, -0.0000758900000000, -0.0003875600000000 ] - [ 0.0003153800000000, -0.0004793900000000, -0.0001592200000000 ] - [ -0.0004332200000000, 0.0007981400000000, -0.0001669400000000 ] - [ 0.0004285300000000, -0.0015444700000000, 0.0002975600000000 ] - [ 0.0003113400000000, 0.0002416100000000, -0.0007426900000000 ] - [ -0.0003266300000000, 0.0002347000000000, -0.0021535500000000 ] - [ -0.0003050500000000, -0.0003274100000000, 0.0007138600000000 ] - [ 0.0003313400000000, -0.0003391800000000, -0.0006973800000000 ] - [ -0.0005553700000000, -0.0008597400000000, -0.0002812600000000 ] - [ -0.0000795700000000, 0.0000680100000000, -0.0000374500000000 ] - [ -0.0000269200000000, 0.0000424000000000, -0.0001634800000000 ] - [ -0.0001118900000000, 0.0003733700000000, 0.0010527400000000 ] - [ 0.0000890200000000, 0.0001382700000000, -0.0000816100000000 ] - [ 0.0002757700000000, 0.0003231700000000, 0.0003176700000000 ]- atom: 88 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008276600000000, 0.0001047800000000, -0.0002550100000000 ] - [ -0.0039568600000000, -0.0026188000000000, 0.0003764100000000 ] - [ -0.0052293700000000, -0.0013179300000000, -0.0003568400000000 ] - [ 0.0000875500000000, 0.0002085200000000, -0.0007322400000000 ] - [ -0.0006114300000000, 0.0000525500000000, -0.0007007800000000 ] - [ -0.0052157400000000, 0.0029062900000000, 0.0003482100000000 ] - [ 0.0032571700000000, 0.0010347600000000, 0.0005135200000000 ] - [ -0.0026986100000000, -0.0000120700000000, 0.0005498800000000 ] - [ -0.0006085000000000, 0.0004333700000000, -0.0009146400000000 ] - [ 0.0007244200000000, 0.0006926800000000, 0.0000686100000000 ] - [ -0.0005668600000000, -0.0006029400000000, -0.0000381700000000 ] - [ -0.0006875800000000, 0.0000794800000000, 0.0006914500000000 ] - [ 0.0046489400000000, 0.0018972900000000, 0.0001698000000000 ] - [ 0.0046182700000000, -0.0016125000000000, 0.0003104500000000 ] - [ 0.0045729200000000, 0.0018624600000000, -0.0001805900000000 ] - [ 0.0001300500000000, 0.0005321300000000, -0.0000744700000000 ] - [ 0.0004643200000000, -0.0000981600000000, -0.0005517700000000 ] - [ 0.0006104300000000, -0.0006784900000000, 0.0000700900000000 ] - [ -0.0006808200000000, 0.0006174400000000, -0.0000390200000000 ] - [ -0.0002756500000000, 0.0000053200000000, -0.0004349500000000 ] - [ -0.0000062900000000, -0.0000142500000000, 0.0000482300000000 ] - [ -0.0000040300000000, -0.0000219400000000, 0.0003047400000000 ] - [ -0.0000004600000000, -0.0000259100000000, 0.0005524000000000 ] - [ -0.0000072500000000, 0.0000207400000000, 0.0005525700000000 ] - [ -0.0005087600000000, -0.0001225500000000, -0.0004200400000000 ] - [ 0.0009397700000000, 0.0006436900000000, -0.0002883000000000 ] - [ -0.0003522500000000, -0.0006453600000000, 0.0003108800000000 ] - [ -0.0000806200000000, 0.0000092100000000, -0.0000642300000000 ] - [ 0.0000530100000000, -0.0000429500000000, 0.0000229500000000 ] - [ 0.0000110700000000, 0.0000025300000000, 0.0003049200000000 ] - [ -0.0000214200000000, -0.0000662700000000, -0.0000382500000000 ] - [ 0.0002310700000000, -0.0000206900000000, -0.0005666000000000 ] - [ -0.0000792300000000, -0.0008612700000000, -0.0004376400000000 ] - [ 0.0006744500000000, -0.0003687300000000, 0.0003599100000000 ] - [ 0.0005451900000000, -0.0007395800000000, -0.0004193400000000 ] - [ 0.0648135700000000, 0.0002087100000000, 0.0175456100000000 ] - [ 0.0001577100000000, -0.0006292200000000, -0.0008008500000000 ] - [ 0.0004465500000000, 0.0003848200000000, -0.0008410600000000 ] - [ 0.0020257700000000, -0.0100684400000000, 0.0044381100000000 ] - [ -0.0001920600000000, 0.0005887800000000, -0.0009317500000000 ] - [ 0.0011769900000000, -0.0000503000000000, -0.0008566600000000 ] - [ 0.0002278100000000, -0.0000512700000000, -0.0002561100000000 ] - [ 0.0017568200000000, 0.0090119300000000, -0.0079829300000000 ] - [ 0.0029017100000000, -0.0100200300000000, -0.0054916600000000 ] - [ 0.0021494000000000, 0.0102889900000000, 0.0063012800000000 ] - [ 0.0567926600000000, -0.0017251600000000, -0.0151281300000000 ] - [ -0.0008203600000000, 0.0014877700000000, -0.0002790000000000 ] - [ -0.0001757800000000, 0.0005054400000000, -0.0000168500000000 ] - [ -0.0004328700000000, 0.0000066100000000, 0.0008684700000000 ] - [ 0.0007527700000000, -0.0008894400000000, 0.0000339800000000 ] - [ 0.0001908600000000, 0.0001333000000000, -0.0017167600000000 ] - [ 0.0007568300000000, 0.0008441900000000, 0.0000297800000000 ] - [ 0.0000723500000000, -0.0004352300000000, -0.0005282400000000 ] - [ -0.0000129700000000, -0.0013649600000000, -0.0004701900000000 ] - [ -0.0004947300000000, -0.0000042200000000, -0.0005821700000000 ] - [ -0.0002790500000000, 0.0007799500000000, -0.0012085800000000 ] - [ 0.0005241900000000, 0.0001345700000000, -0.0005684600000000 ] - [ -0.0004352000000000, 0.0001338200000000, -0.0005401800000000 ] - [ -0.0002034900000000, -0.0007520000000000, -0.0008220000000000 ] - [ 0.0004645300000000, -0.0000043900000000, -0.0005266800000000 ] - [ 0.0001465400000000, 0.0004656800000000, -0.0009114600000000 ] - [ -0.0007406900000000, -0.0010163100000000, 0.0000563300000000 ] - [ -0.0007448900000000, 0.0009708200000000, 0.0000517800000000 ] - [ -0.0006340000000000, -0.0012409400000000, -0.0003854600000000 ] - [ 0.0002838500000000, -0.0005998200000000, 0.0002518200000000 ] - [ 0.0108531600000000, -0.0133382100000000, -0.0023882600000000 ] - [ 0.0028413500000000, -0.0031977300000000, 0.0103113700000000 ] - [ -0.0008109800000000, -0.0000762800000000, -0.0000566700000000 ] - [ -0.0017251600000000, 0.0001784800000000, 0.0010761700000000 ] - [ 0.0000118300000000, -0.0008292100000000, 0.0005026800000000 ] - [ 0.0090280500000000, 0.0094454400000000, -0.0051194300000000 ] - [ -0.0007947300000000, 0.0027465000000000, -0.0010668900000000 ] - [ -0.0004294300000000, -0.0004479200000000, -0.0004313700000000 ] - [ 0.0003969400000000, -0.0002799800000000, -0.0000977100000000 ] - [ -0.0014856800000000, 0.0000533800000000, -0.0008023300000000 ] - [ 0.0006905100000000, -0.0002581800000000, -0.0010248900000000 ] - [ -0.0001624300000000, 0.0003474900000000, 0.0010199400000000 ] - [ 0.0019251900000000, 0.0021724200000000, 0.0019940800000000 ] - [ 0.0084575100000000, 0.0087427100000000, 0.0048272800000000 ] - [ 0.0220822000000000, -0.0007132300000000, 0.0009840900000000 ] - [ 0.0188950400000000, 0.0089669800000000, 0.0106041500000000 ] - [ 0.0004099100000000, -0.0003104200000000, 0.0012896900000000 ] - [ 0.0012088500000000, 0.0005519200000000, -0.0003075700000000 ] - [ 0.0002781000000000, -0.0005100600000000, -0.0003898300000000 ] - [ 0.0001089100000000, 0.0017328600000000, 0.0009237100000000 ] - [ -0.0012823700000000, -0.0005810400000000, -0.0003296300000000 ] - [ 0.0000335300000000, -0.0015021500000000, -0.0002193300000000 ] - [ -0.2350107600000000, -0.0020368400000000, -0.0023455500000000 ] - [ -0.0013333100000000, -0.0001291400000000, -0.0001485300000000 ] - [ 0.0000716400000000, -0.0005243600000000, -0.0006996200000000 ] - [ -0.0008599800000000, -0.0018368800000000, 0.0009125000000000 ] - [ 0.0000587900000000, 0.0005252800000000, 0.0003144800000000 ] - [ 0.0005606400000000, -0.0003969100000000, -0.0001167400000000 ] - [ 0.0004393300000000, -0.0005702400000000, -0.0003044400000000 ] - [ -0.0005332800000000, -0.0005870600000000, -0.0001998700000000 ] - [ -0.0003345200000000, 0.0002858400000000, -0.0000451700000000 ] - [ -0.0001970300000000, -0.0005088900000000, 0.0002757100000000 ] - [ 0.0030714300000000, -0.0024672700000000, -0.0084517800000000 ] - [ 0.0023914100000000, -0.0022696100000000, -0.0000679000000000 ] - [ -0.0002686500000000, 0.0005301900000000, 0.0002768300000000 ] - [ -0.0002982500000000, -0.0001682100000000, 0.0009667200000000 ] - [ 0.0001287500000000, 0.0009342600000000, 0.0019226100000000 ] - [ 0.0002626700000000, 0.0001733200000000, 0.0004519400000000 ] - [ -0.0013058200000000, 0.0005685600000000, -0.0002028200000000 ] - [ -0.0005678600000000, 0.0009222200000000, 0.0006332600000000 ] - [ 0.0004340200000000, -0.0000498800000000, 0.0002565800000000 ] - [ -0.0010753500000000, -0.0005494800000000, -0.0001234300000000 ] - [ 0.0002416100000000, -0.0007613800000000, -0.0003113300000000 ] - [ -0.0003772300000000, 0.0000878900000000, -0.0000645000000000 ] - [ 0.0026665100000000, -0.0033266600000000, 0.0006616900000000 ] - [ 0.0002152600000000, 0.0001169000000000, -0.0008651100000000 ] - [ -0.0005828700000000, 0.0011638100000000, -0.0004086400000000 ] - [ -0.0005627000000000, -0.0018891200000000, 0.0014934100000000 ] - [ 0.0000621000000000, 0.0006009100000000, -0.0008870100000000 ] - [ -0.0020217600000000, -0.0011475200000000, 0.0001829500000000 ] - [ 0.0191576200000000, 0.0099043300000000, -0.0112492200000000 ] - [ 0.0003702300000000, -0.0001598600000000, -0.0001841200000000 ] - [ -0.0001550200000000, -0.0001328700000000, 0.0012536000000000 ] - [ 0.0021988000000000, 0.0026103800000000, -0.0023067500000000 ] - [ 0.0112297900000000, -0.0118742400000000, 0.0028552400000000 ] - [ 0.0002473300000000, -0.0007535500000000, 0.0001944700000000 ] - [ -0.0002729600000000, -0.0004776900000000, 0.0003199200000000 ] - [ -0.0000868900000000, -0.0003326600000000, 0.0008949200000000 ] - [ -0.0004057400000000, -0.0010854500000000, 0.0006101600000000 ] - [ -0.0001532500000000, 0.0000413000000000, 0.0001257400000000 ] - [ 0.0000847600000000, -0.0003505400000000, 0.0008713400000000 ] - [ 0.0003042100000000, 0.0004423400000000, -0.0001864500000000 ] - [ -0.0004655500000000, 0.0008635000000000, 0.0005015400000000 ] - [ -0.0002428300000000, -0.0000974600000000, -0.0010078600000000 ] - [ 0.0005278100000000, -0.0003718600000000, -0.0000557200000000 ] - [ 0.0001318000000000, -0.0000082700000000, 0.0001407200000000 ] - [ 0.0001593400000000, -0.0000119500000000, 0.0001484000000000 ] - [ -0.0002996700000000, 0.0001095200000000, 0.0008928400000000 ] - [ -0.0001120400000000, -0.0001942600000000, -0.0001563700000000 ] - [ -0.0003193600000000, -0.0004093100000000, -0.0001920300000000 ] - [ 0.0000197500000000, 0.0000211500000000, 0.0009626400000000 ] - [ 0.0000961000000000, -0.0003322200000000, -0.0001166500000000 ] - [ -0.0001256300000000, -0.0000617800000000, 0.0001178300000000 ] - [ 0.0012544000000000, 0.0008976700000000, -0.0003806200000000 ] - [ 0.0005582500000000, 0.0007508700000000, 0.0002125100000000 ] - [ 0.0005127700000000, 0.0007269900000000, 0.0002527700000000 ] - [ 0.0003494500000000, 0.0003392000000000, -0.0000774500000000 ] - [ 0.0002760000000000, 0.0004113800000000, 0.0006654500000000 ] - [ -0.0000250700000000, 0.0000165000000000, -0.0001842500000000 ] - [ -0.0001572500000000, 0.0001990500000000, -0.0001720800000000 ] - [ -0.0000992600000000, -0.0003757500000000, -0.0001311300000000 ] - [ -0.0005744400000000, -0.0005715900000000, 0.0003070400000000 ] - [ -0.0000511700000000, 0.0005085000000000, 0.0002682500000000 ] - [ 0.0005245800000000, -0.0004622500000000, 0.0002869300000000 ] - [ 0.0005222100000000, -0.0003701000000000, -0.0003456300000000 ] - [ -0.0004897700000000, -0.0002417500000000, -0.0001278000000000 ] - [ -0.0002034700000000, 0.0001932700000000, -0.0000864400000000 ] - [ -0.0003081000000000, -0.0005251200000000, 0.0003227800000000 ] - [ 0.0000816300000000, 0.0003702600000000, 0.0008633100000000 ] - [ -0.0000977500000000, 0.0005859900000000, 0.0003063800000000 ] - [ -0.0003047600000000, 0.0003753400000000, 0.0003358300000000 ] - [ -0.0000067600000000, -0.0000083000000000, 0.0009628200000000 ] - [ 0.0004523600000000, -0.0009499400000000, 0.0003626500000000 ] - [ 0.0000905300000000, 0.0003223900000000, -0.0001197100000000 ] - [ -0.0012200200000000, 0.0007696200000000, -0.0001628800000000 ] - [ -0.0006084000000000, 0.0008599300000000, 0.0002326700000000 ] - [ 0.0002966100000000, -0.0002912100000000, 0.0003882600000000 ] - [ 0.0001079700000000, -0.0002150800000000, -0.0001113900000000 ] - [ 0.0003150900000000, -0.0004548600000000, -0.0001893400000000 ] - [ -0.0003087900000000, 0.0003969700000000, -0.0001889000000000 ] - [ 0.0001583200000000, -0.0004486700000000, 0.0002839500000000 ] - [ 0.0004014600000000, 0.0004672400000000, -0.0002897800000000 ] - [ -0.0003112900000000, 0.0003368000000000, -0.0006512100000000 ] - [ -0.0003204000000000, 0.0000127300000000, 0.0006133700000000 ] - [ 0.0003331400000000, -0.0002265500000000, -0.0006456500000000 ] - [ -0.0003823700000000, -0.0002279400000000, -0.0000654800000000 ] - [ -0.0000936800000000, 0.0003658900000000, -0.0001341200000000 ] - [ 0.0000058900000000, -0.0000113300000000, -0.0001840900000000 ] - [ -0.0000837400000000, 0.0003524400000000, 0.0008873300000000 ] - [ 0.0001531100000000, 0.0002200600000000, -0.0001267400000000 ] - [ 0.0002795900000000, 0.0006527300000000, 0.0002085600000000 ]- atom: 88 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001694400000000, -0.0009388900000000, -0.0004487000000000 ] - [ -0.0004990200000000, -0.0024391500000000, -0.0011808000000000 ] - [ -0.0017843100000000, -0.0011372700000000, 0.0012111800000000 ] - [ -0.0005658500000000, -0.0008273800000000, -0.0005395100000000 ] - [ -0.0000646300000000, 0.0004359600000000, -0.0003317900000000 ] - [ -0.0007868600000000, 0.0016960000000000, 0.0003089400000000 ] - [ 0.0003437200000000, 0.0021025400000000, 0.0005687200000000 ] - [ 0.0006137000000000, 0.0017290900000000, 0.0005575300000000 ] - [ -0.0003105700000000, -0.0009049400000000, -0.0004719800000000 ] - [ 0.0007300700000000, 0.0001433600000000, -0.0000229900000000 ] - [ -0.0005608300000000, -0.0011558300000000, 0.0000531900000000 ] - [ -0.0001413900000000, 0.0004648900000000, 0.0003183600000000 ] - [ 0.0007967900000000, -0.0017893700000000, -0.0020459900000000 ] - [ -0.0011737700000000, 0.0019765900000000, 0.0003169900000000 ] - [ 0.0007157300000000, -0.0018317000000000, 0.0020203300000000 ] - [ 0.0004269200000000, -0.0007962300000000, -0.0005153700000000 ] - [ 0.0003445300000000, -0.0002167000000000, -0.0004904100000000 ] - [ 0.0005892900000000, -0.0010024100000000, -0.0000455900000000 ] - [ -0.0007014200000000, 0.0002970400000000, 0.0000763600000000 ] - [ -0.0003925500000000, -0.0001074400000000, -0.0004964300000000 ] - [ -0.0000230500000000, -0.0005543700000000, -0.0000780900000000 ] - [ 0.0000223600000000, -0.0004466300000000, 0.0003057400000000 ] - [ -0.0000590200000000, -0.0004526800000000, 0.0005546000000000 ] - [ 0.0000630200000000, -0.0004824400000000, 0.0005547800000000 ] - [ -0.0003851500000000, -0.0002001200000000, -0.0005060100000000 ] - [ 0.0005677300000000, 0.0008885200000000, -0.0004052700000000 ] - [ -0.0007229800000000, -0.0004105000000000, 0.0004380900000000 ] - [ -0.0000987900000000, -0.0005263900000000, 0.0000617700000000 ] - [ 0.0000654500000000, -0.0003992900000000, -0.0000333500000000 ] - [ -0.0000338100000000, -0.0004611900000000, 0.0003059300000000 ] - [ -0.0000105400000000, -0.0004271700000000, 0.0000175300000000 ] - [ 0.0003522300000000, -0.0000921600000000, -0.0004809000000000 ] - [ -0.0003001900000000, -0.0011829100000000, -0.0012745100000000 ] - [ 0.0007599700000000, 0.0006449000000000, 0.0001824800000000 ] - [ 0.0003207200000000, -0.0010538200000000, 0.0004053300000000 ] - [ 0.0007901500000000, 0.0191015700000000, -0.0004512200000000 ] - [ 0.0002278100000000, -0.0015428400000000, -0.0007681500000000 ] - [ 0.0002640500000000, -0.0013139000000000, 0.0003717300000000 ] - [ -0.0018701300000000, -0.0011093800000000, 0.0013409000000000 ] - [ -0.0001273500000000, -0.0003304900000000, -0.0009490300000000 ] - [ 0.0005844400000000, 0.0009901700000000, -0.0014583100000000 ] - [ -0.0003728200000000, 0.0009942200000000, 0.0003396100000000 ] - [ 0.0001602800000000, -0.0039666600000000, 0.0022389200000000 ] - [ -0.0009107000000000, -0.0010900300000000, -0.0024514400000000 ] - [ 0.0005073100000000, -0.0027565600000000, -0.0039545400000000 ] - [ -0.0003616100000000, 0.0172646400000000, 0.0003065900000000 ] - [ -0.0007276200000000, 0.0024998600000000, -0.0000824200000000 ] - [ -0.0003537900000000, -0.0011831500000000, -0.0012415300000000 ] - [ -0.0001692700000000, -0.0008348800000000, -0.0013415000000000 ] - [ 0.0007170200000000, -0.0020790800000000, 0.0000161800000000 ] - [ 0.0004497800000000, -0.0007043500000000, 0.0004742600000000 ] - [ 0.0007570900000000, -0.0000243700000000, 0.0001157000000000 ] - [ 0.0001367200000000, 0.0000156000000000, -0.0015793700000000 ] - [ 0.0002199800000000, -0.0006048700000000, -0.0000622100000000 ] - [ -0.0004311100000000, -0.0008587900000000, -0.0003338900000000 ] - [ -0.0002177200000000, 0.0012248800000000, -0.0001363000000000 ] - [ 0.0004443300000000, -0.0009706200000000, -0.0004351100000000 ] - [ -0.0005120000000000, -0.0009628100000000, -0.0006849500000000 ] - [ -0.0002539800000000, -0.0014062000000000, -0.0005736400000000 ] - [ 0.0005252600000000, -0.0008505800000000, -0.0007862000000000 ] - [ 0.0001010900000000, -0.0001928100000000, -0.0011435300000000 ] - [ -0.0007310700000000, -0.0018795200000000, -0.0000199800000000 ] - [ -0.0007715200000000, -0.0002242300000000, 0.0000791200000000 ] - [ -0.0003993800000000, -0.0004729500000000, -0.0008042400000000 ] - [ 0.0002678300000000, 0.0001982100000000, 0.0005710700000000 ] - [ -0.0081263300000000, 0.0014119400000000, 0.0006041000000000 ] - [ -0.0034619500000000, -0.0027825400000000, -0.0036394900000000 ] - [ -0.0006338000000000, -0.0007361400000000, -0.0004246500000000 ] - [ 0.0002387400000000, -0.0000182400000000, 0.0015871800000000 ] - [ 0.0001642000000000, -0.0010199100000000, 0.0008268800000000 ] - [ 0.0099519500000000, 0.0048610700000000, -0.0045180700000000 ] - [ -0.0003944300000000, 0.0012704400000000, 0.0000938400000000 ] - [ -0.0002823800000000, 0.0001545900000000, -0.0008463000000000 ] - [ 0.0003061500000000, 0.0000707800000000, -0.0001000400000000 ] - [ 0.0005403300000000, -0.0000878700000000, -0.0013249900000000 ] - [ 0.0001744000000000, -0.0007436300000000, -0.0008279600000000 ] - [ -0.0003464300000000, 0.0006481700000000, 0.0005266500000000 ] - [ 0.0000791800000000, -0.0005551000000000, 0.0005814700000000 ] - [ 0.0094461900000000, 0.0041042100000000, 0.0042235500000000 ] - [ 0.0002789400000000, -0.0023651500000000, 0.0009575400000000 ] - [ 0.0042749200000000, -0.0026640100000000, 0.0015257800000000 ] - [ -0.0001260100000000, -0.0008176300000000, 0.0011114000000000 ] - [ 0.0008607300000000, 0.0008808500000000, -0.0001028500000000 ] - [ 0.0004353200000000, 0.0012644700000000, 0.0005972500000000 ] - [ 0.0002705800000000, 0.0010781100000000, 0.0012917500000000 ] - [ 0.0004310100000000, 0.0013454200000000, -0.0003299600000000 ] - [ 0.0003866900000000, 0.0012460300000000, 0.0015150900000000 ] - [ -0.0020366400000000, -0.0316446100000000, 0.0000174700000000 ] - [ -0.0000137100000000, -0.0001507300000000, 0.0005196700000000 ] - [ -0.0002723300000000, -0.0012934000000000, -0.0002872000000000 ] - [ -0.0006933000000000, -0.0000590800000000, -0.0000786300000000 ] - [ 0.0001844700000000, 0.0009563500000000, 0.0003964800000000 ] - [ 0.0005325200000000, -0.0006519400000000, 0.0005444800000000 ] - [ 0.0008852500000000, -0.0001553700000000, 0.0000036800000000 ] - [ -0.0008811400000000, -0.0002721400000000, -0.0004072000000000 ] - [ -0.0004144800000000, 0.0006442800000000, -0.0000430000000000 ] - [ -0.0000367300000000, -0.0000933100000000, 0.0001764300000000 ] - [ -0.0032781500000000, -0.0021127600000000, 0.0054192700000000 ] - [ -0.0001906200000000, 0.0016615000000000, -0.0003037600000000 ] - [ -0.0002914900000000, 0.0013242100000000, -0.0000461700000000 ] - [ -0.0001123300000000, -0.0004042600000000, 0.0009665100000000 ] - [ 0.0005107100000000, -0.0005473500000000, 0.0007686000000000 ] - [ -0.0000831500000000, -0.0005923900000000, 0.0000319800000000 ] - [ -0.0008580900000000, 0.0009967900000000, -0.0005131700000000 ] - [ -0.0005933000000000, 0.0006714500000000, -0.0000272700000000 ] - [ 0.0002518700000000, 0.0002450900000000, 0.0007550200000000 ] - [ 0.0002287100000000, -0.0005661900000000, -0.0007951000000000 ] - [ 0.0003899200000000, -0.0011806100000000, -0.0003767900000000 ] - [ -0.0002239900000000, -0.0003289300000000, -0.0000006300000000 ] - [ 0.0000302800000000, 0.0006133700000000, 0.0008773600000000 ] - [ 0.0003573400000000, 0.0007102600000000, -0.0004379000000000 ] - [ -0.0004976100000000, 0.0010662500000000, -0.0010617600000000 ] - [ -0.0002121400000000, 0.0008428400000000, -0.0002345800000000 ] - [ 0.0001434700000000, 0.0005109800000000, -0.0002221000000000 ] - [ -0.0002872400000000, 0.0007613000000000, 0.0001883100000000 ] - [ 0.0041322300000000, -0.0019250900000000, -0.0018407600000000 ] - [ 0.0001598700000000, -0.0003858200000000, -0.0001992500000000 ] - [ -0.0000059200000000, -0.0003268400000000, 0.0009219600000000 ] - [ 0.0003232500000000, -0.0001334700000000, -0.0008614200000000 ] - [ -0.0076681300000000, 0.0026089800000000, -0.0001040500000000 ] - [ 0.0002676300000000, -0.0014511600000000, -0.0000985100000000 ] - [ -0.0002717400000000, 0.0000511700000000, 0.0005184000000000 ] - [ -0.0000558700000000, -0.0000307600000000, 0.0008826500000000 ] - [ -0.0004915000000000, -0.0002200200000000, 0.0005776000000000 ] - [ -0.0000670900000000, 0.0003786200000000, 0.0001039500000000 ] - [ 0.0000537700000000, 0.0000214000000000, 0.0008994900000000 ] - [ 0.0003209000000000, 0.0008191900000000, -0.0002363000000000 ] - [ -0.0004583600000000, 0.0015317700000000, 0.0000062700000000 ] - [ -0.0003129000000000, -0.0002112000000000, -0.0008237600000000 ] - [ 0.0003991500000000, -0.0004232200000000, -0.0002213600000000 ] - [ 0.0002345600000000, 0.0003076800000000, 0.0001787000000000 ] - [ 0.0000572200000000, 0.0004252000000000, 0.0000443700000000 ] - [ -0.0002904500000000, 0.0001564500000000, 0.0002455600000000 ] - [ -0.0001147700000000, 0.0000576900000000, -0.0001276000000000 ] - [ -0.0002930400000000, -0.0000298000000000, -0.0001386300000000 ] - [ 0.0000067800000000, 0.0002449500000000, 0.0009662600000000 ] - [ 0.0000454500000000, 0.0001244100000000, -0.0000035900000000 ] - [ -0.0002441900000000, 0.0003542300000000, 0.0002379400000000 ] - [ 0.0007493700000000, 0.0007406200000000, -0.0001109400000000 ] - [ 0.0005890600000000, 0.0009850100000000, 0.0003841100000000 ] - [ 0.0004132600000000, 0.0015964100000000, 0.0002864300000000 ] - [ 0.0003808100000000, 0.0005254200000000, -0.0000928000000000 ] - [ 0.0003201800000000, 0.0006759300000000, 0.0009418500000000 ] - [ 0.0000165500000000, 0.0002143500000000, -0.0001991200000000 ] - [ -0.0001236900000000, 0.0004997700000000, -0.0000662600000000 ] - [ -0.0000451100000000, 0.0001659000000000, 0.0000001500000000 ] - [ -0.0005371100000000, -0.0003379500000000, 0.0001331200000000 ] - [ 0.0000696000000000, 0.0004444300000000, 0.0003798800000000 ] - [ 0.0005469400000000, -0.0001149100000000, 0.0003024000000000 ] - [ 0.0009388100000000, -0.0003567000000000, -0.0001020900000000 ] - [ -0.0009930600000000, -0.0004126700000000, -0.0003999600000000 ] - [ -0.0003212100000000, 0.0001493100000000, 0.0000772800000000 ] - [ -0.0001516800000000, -0.0006039900000000, 0.0001916800000000 ] - [ 0.0001152500000000, 0.0006640400000000, 0.0008683100000000 ] - [ -0.0001080500000000, 0.0007902800000000, 0.0003158800000000 ] - [ -0.0002918600000000, -0.0003264100000000, 0.0006223800000000 ] - [ -0.0000192300000000, 0.0002938400000000, 0.0009662100000000 ] - [ 0.0004462700000000, -0.0002853000000000, 0.0008581700000000 ] - [ 0.0001440800000000, 0.0008674900000000, -0.0002533100000000 ] - [ -0.0008033000000000, 0.0007966100000000, -0.0004087900000000 ] - [ -0.0005793700000000, 0.0012082600000000, 0.0002152900000000 ] - [ 0.0003081200000000, -0.0002478300000000, 0.0010367900000000 ] - [ 0.0001166800000000, 0.0000808100000000, -0.0002069600000000 ] - [ 0.0002884000000000, 0.0000490400000000, -0.0001308000000000 ] - [ -0.0003257700000000, 0.0008982100000000, -0.0002438400000000 ] - [ 0.0001132600000000, -0.0002595400000000, 0.0002567300000000 ] - [ 0.0003275900000000, 0.0003440600000000, -0.0004621800000000 ] - [ -0.0003563100000000, 0.0004571700000000, -0.0007282600000000 ] - [ -0.0002783200000000, 0.0002738900000000, 0.0003395500000000 ] - [ 0.0002838700000000, -0.0000979400000000, -0.0005570100000000 ] - [ -0.0003398900000000, -0.0000483700000000, -0.0000504600000000 ] - [ -0.0001437900000000, 0.0008260800000000, -0.0002497600000000 ] - [ 0.0000111500000000, 0.0002599700000000, -0.0001991000000000 ] - [ -0.0001171900000000, 0.0007163200000000, 0.0008519000000000 ] - [ 0.0001252600000000, 0.0004769200000000, -0.0001453300000000 ] - [ 0.0002875000000000, 0.0011776700000000, 0.0000061600000000 ]- atom: 88 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004536600000000, 0.0000152200000000, -0.0000664600000000 ] - [ -0.0002900900000000, -0.0021994000000000, 0.0005909300000000 ] - [ 0.0002900900000000, 0.0021994000000000, 0.0005909300000000 ] - [ -0.0004536600000000, -0.0000152200000000, -0.0000664600000000 ] - [ -0.0001203800000000, -0.0003920100000000, -0.0009378500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018187000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009599200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014794800000000 ] - [ -0.0003677100000000, -0.0001780500000000, -0.0000714600000000 ] - [ 0.0006626500000000, 0.0005530100000000, 0.0001067400000000 ] - [ -0.0006626500000000, -0.0005530100000000, 0.0001067400000000 ] - [ 0.0001203800000000, 0.0003920100000000, -0.0009378500000000 ] - [ -0.0002130300000000, -0.0035761700000000, 0.0011978100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0051369000000000 ] - [ 0.0002130300000000, 0.0035761700000000, 0.0011978100000000 ] - [ 0.0003677100000000, 0.0001780500000000, -0.0000714600000000 ] - [ 0.0003922100000000, 0.0000800200000000, -0.0008267800000000 ] - [ 0.0006366500000000, -0.0007231000000000, -0.0000770500000000 ] - [ -0.0006366500000000, 0.0007231000000000, -0.0000770500000000 ] - [ -0.0003922100000000, -0.0000800200000000, -0.0008267800000000 ] - [ 0.0000116300000000, -0.0001193000000000, 0.0000994300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003136600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005610100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005451000000000 ] - [ -0.0002848300000000, -0.0001296900000000, -0.0008375000000000 ] - [ 0.0007760500000000, 0.0001294700000000, -0.0014235200000000 ] - [ -0.0007760500000000, -0.0001294700000000, -0.0014235200000000 ] - [ -0.0000116300000000, 0.0001193000000000, 0.0000994300000000 ] - [ 0.0000578300000000, -0.0000853400000000, -0.0001061400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002957400000000 ] - [ -0.0000578300000000, 0.0000853400000000, -0.0001061400000000 ] - [ 0.0002848300000000, 0.0001296900000000, -0.0008375000000000 ] - [ -0.0001842800000000, -0.0010931200000000, -0.0003486400000000 ] - [ 0.0006120600000000, -0.0011578600000000, -0.0030613100000000 ] - [ 0.0001842800000000, 0.0010931200000000, -0.0003486400000000 ] - [ 0.0253342200000000, 0.0002690600000000, 0.0335463400000000 ] - [ 0.0002376200000000, -0.0009403300000000, -0.0006261100000000 ] - [ 0.0004437900000000, 0.0008553400000000, -0.0005301000000000 ] - [ 0.0018166100000000, 0.0047965100000000, 0.0005510900000000 ] - [ -0.0002376200000000, 0.0009403300000000, -0.0006261100000000 ] - [ 0.0005331000000000, -0.0007072800000000, -0.0020083700000000 ] - [ -0.0005331000000000, 0.0007072800000000, -0.0020083700000000 ] - [ -0.0005789900000000, 0.0010328600000000, -0.0003863300000000 ] - [ -0.0018166100000000, -0.0047965100000000, 0.0005510900000000 ] - [ 0.0005789900000000, -0.0010328600000000, -0.0003863300000000 ] - [ -0.0253342200000000, -0.0002690600000000, 0.0335463400000000 ] - [ -0.0006120600000000, 0.0011578600000000, -0.0030613100000000 ] - [ -0.0004437900000000, -0.0008553400000000, -0.0005301000000000 ] - [ -0.0002509000000000, -0.0006802300000000, -0.0004334500000000 ] - [ 0.0007226000000000, -0.0009676500000000, 0.0001702100000000 ] - [ 0.0002509000000000, 0.0006802300000000, -0.0004334500000000 ] - [ 0.0007708800000000, 0.0008996000000000, -0.0000780000000000 ] - [ 0.0003282700000000, -0.0009906300000000, -0.0021355800000000 ] - [ 0.0005757200000000, 0.0012234800000000, -0.0009700100000000 ] - [ -0.0005060000000000, 0.0001419500000000, -0.0006951100000000 ] - [ -0.0003282700000000, 0.0009906300000000, -0.0021355800000000 ] - [ 0.0004494200000000, -0.0001400000000000, -0.0004224100000000 ] - [ -0.0004494200000000, 0.0001400000000000, -0.0004224100000000 ] - [ -0.0001456700000000, -0.0003581000000000, -0.0010717400000000 ] - [ 0.0005060000000000, -0.0001419500000000, -0.0006951100000000 ] - [ 0.0001456700000000, 0.0003581000000000, -0.0010717400000000 ] - [ -0.0007708800000000, -0.0008996000000000, -0.0000780000000000 ] - [ -0.0007226000000000, 0.0009676500000000, 0.0001702100000000 ] - [ -0.0005757200000000, -0.0012234800000000, -0.0009700100000000 ] - [ 0.0002839100000000, -0.0006384200000000, 0.0001547900000000 ] - [ -0.0032067300000000, 0.0020809000000000, -0.0029657900000000 ] - [ 0.0097888600000000, -0.0041608100000000, 0.0081765500000000 ] - [ -0.0004191100000000, -0.0018346900000000, 0.0003649300000000 ] - [ 0.0022744400000000, 0.0055042200000000, 0.0008869100000000 ] - [ -0.0001044600000000, -0.0003207900000000, 0.0021210200000000 ] - [ -0.0045368300000000, -0.0026013500000000, -0.0012121700000000 ] - [ -0.0006044600000000, -0.0010012700000000, 0.0014656900000000 ] - [ -0.0003402600000000, -0.0004748400000000, -0.0009974500000000 ] - [ 0.0002954400000000, -0.0002933400000000, -0.0002472200000000 ] - [ -0.0022744400000000, -0.0055042200000000, 0.0008869100000000 ] - [ 0.0006652600000000, -0.0008802800000000, 0.0011812300000000 ] - [ -0.0002880500000000, -0.0003442100000000, 0.0002973200000000 ] - [ 0.0007276800000000, 0.0008132400000000, 0.0006501400000000 ] - [ 0.0045368300000000, 0.0026013500000000, -0.0012121700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000347600000000 ] - [ 0.0102755000000000, 0.0038873900000000, 0.0023675400000000 ] - [ -0.0006652600000000, 0.0008802800000000, 0.0011812300000000 ] - [ 0.0008830000000000, 0.0008515600000000, -0.0002824300000000 ] - [ 0.0002428300000000, 0.0012822200000000, 0.0002387500000000 ] - [ 0.0004191100000000, 0.0018346900000000, 0.0003649300000000 ] - [ 0.0002052500000000, -0.0000296600000000, -0.0012398900000000 ] - [ 0.0003031200000000, 0.0002658900000000, 0.0004416900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0775074500000000 ] - [ 0.0003380900000000, 0.0011256400000000, 0.0009948400000000 ] - [ -0.0001922800000000, -0.0001132100000000, 0.0015031800000000 ] - [ -0.0002428300000000, -0.0012822200000000, 0.0002387500000000 ] - [ 0.0000695200000000, 0.0004833300000000, 0.0001578000000000 ] - [ 0.0003886800000000, -0.0002131800000000, 0.0002684900000000 ] - [ 0.0007945600000000, -0.0002486800000000, -0.0002504600000000 ] - [ -0.0008830000000000, -0.0008515600000000, -0.0002824300000000 ] - [ -0.0002954400000000, 0.0002933400000000, -0.0002472200000000 ] - [ -0.0000695200000000, -0.0004833300000000, 0.0001578000000000 ] - [ -0.0097888600000000, 0.0041608100000000, 0.0081765500000000 ] - [ 0.0001011600000000, -0.0000656000000000, -0.0007100700000000 ] - [ -0.0002839100000000, 0.0006384200000000, 0.0001547900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025421700000000 ] - [ 0.0006044600000000, 0.0010012700000000, 0.0014656900000000 ] - [ 0.0001922800000000, 0.0001132100000000, 0.0015031800000000 ] - [ -0.0007945600000000, 0.0002486800000000, -0.0002504600000000 ] - [ -0.0003886800000000, 0.0002131800000000, 0.0002684900000000 ] - [ 0.0002880500000000, 0.0003442100000000, 0.0002973200000000 ] - [ -0.0003380900000000, -0.0011256400000000, 0.0009948400000000 ] - [ 0.0001499700000000, -0.0000868500000000, 0.0007402000000000 ] - [ -0.0001499700000000, 0.0000868500000000, 0.0007402000000000 ] - [ -0.0001011600000000, 0.0000656000000000, -0.0007100700000000 ] - [ 0.0003402600000000, 0.0004748400000000, -0.0009974500000000 ] - [ -0.0001670900000000, -0.0002439700000000, -0.0010213000000000 ] - [ -0.0003031200000000, -0.0002658900000000, 0.0004416900000000 ] - [ 0.0001670900000000, 0.0002439700000000, -0.0010213000000000 ] - [ -0.0002052500000000, 0.0000296600000000, -0.0012398900000000 ] - [ -0.0102755000000000, -0.0038873900000000, 0.0023675400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007538700000000 ] - [ 0.0001044600000000, 0.0003207900000000, 0.0021210200000000 ] - [ -0.0007276800000000, -0.0008132400000000, 0.0006501400000000 ] - [ 0.0032067300000000, -0.0020809000000000, -0.0029657900000000 ] - [ 0.0002895300000000, -0.0002377100000000, 0.0011517500000000 ] - [ -0.0002739400000000, -0.0005157500000000, 0.0003554300000000 ] - [ -0.0001007100000000, -0.0003620200000000, 0.0009262900000000 ] - [ -0.0004471000000000, -0.0010727300000000, 0.0003703000000000 ] - [ -0.0001479500000000, 0.0000654900000000, 0.0001534000000000 ] - [ 0.0000752600000000, -0.0003322800000000, 0.0008232300000000 ] - [ 0.0003080500000000, 0.0004028100000000, -0.0001466600000000 ] - [ -0.0004596600000000, 0.0007094800000000, 0.0005042900000000 ] - [ -0.0003884900000000, -0.0004347000000000, -0.0000423600000000 ] - [ 0.0004570900000000, -0.0004754800000000, 0.0005531900000000 ] - [ 0.0001479500000000, -0.0000654900000000, 0.0001534000000000 ] - [ 0.0001571300000000, -0.0000046500000000, 0.0001265400000000 ] - [ -0.0003168100000000, 0.0001255100000000, 0.0008669600000000 ] - [ -0.0001267900000000, -0.0001603900000000, -0.0001069700000000 ] - [ -0.0003080500000000, -0.0004028100000000, -0.0001466600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010136700000000 ] - [ 0.0000971400000000, -0.0003096300000000, -0.0000750900000000 ] - [ -0.0001571300000000, 0.0000046500000000, 0.0001265400000000 ] - [ 0.0010858500000000, 0.0008920000000000, -0.0001886700000000 ] - [ 0.0005791100000000, 0.0008443200000000, 0.0003211100000000 ] - [ 0.0004471000000000, 0.0010727300000000, 0.0003703000000000 ] - [ 0.0004119400000000, 0.0002907700000000, 0.0000740600000000 ] - [ 0.0003132100000000, 0.0005770100000000, 0.0009058400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001556800000000 ] - [ -0.0001282700000000, 0.0002514600000000, -0.0001706300000000 ] - [ -0.0000926900000000, -0.0003946100000000, -0.0001885300000000 ] - [ -0.0005791100000000, -0.0008443200000000, 0.0003211100000000 ] - [ 0.0000763600000000, 0.0008249500000000, 0.0008654800000000 ] - [ 0.0005457300000000, -0.0004140300000000, 0.0002276700000000 ] - [ 0.0007008700000000, -0.0003222000000000, -0.0001639200000000 ] - [ -0.0010858500000000, -0.0008920000000000, -0.0001886700000000 ] - [ -0.0004570900000000, 0.0004754800000000, 0.0005531900000000 ] - [ -0.0000763600000000, -0.0008249500000000, 0.0008654800000000 ] - [ 0.0001007100000000, 0.0003620200000000, 0.0009262900000000 ] - [ -0.0001626000000000, 0.0005381000000000, 0.0004086700000000 ] - [ -0.0002895300000000, 0.0002377100000000, 0.0011517500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009368900000000 ] - [ 0.0004596600000000, -0.0007094800000000, 0.0005042900000000 ] - [ 0.0000926900000000, 0.0003946100000000, -0.0001885300000000 ] - [ -0.0007008700000000, 0.0003222000000000, -0.0001639200000000 ] - [ -0.0005457300000000, 0.0004140300000000, 0.0002276700000000 ] - [ 0.0003168100000000, -0.0001255100000000, 0.0008669600000000 ] - [ 0.0001282700000000, -0.0002514600000000, -0.0001706300000000 ] - [ 0.0003200600000000, -0.0004488700000000, -0.0002268400000000 ] - [ -0.0003200600000000, 0.0004488700000000, -0.0002268400000000 ] - [ 0.0001626000000000, -0.0005381000000000, 0.0004086700000000 ] - [ 0.0003884900000000, 0.0004347000000000, -0.0000423600000000 ] - [ -0.0003150300000000, 0.0001384900000000, -0.0003361900000000 ] - [ -0.0003132100000000, -0.0005770100000000, 0.0009058400000000 ] - [ 0.0003150300000000, -0.0001384900000000, -0.0003361900000000 ] - [ -0.0004119400000000, -0.0002907700000000, 0.0000740600000000 ] - [ -0.0000971400000000, 0.0003096300000000, -0.0000750900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002315800000000 ] - [ -0.0000752600000000, 0.0003322800000000, 0.0008232300000000 ] - [ 0.0001267900000000, 0.0001603900000000, -0.0001069700000000 ] - [ 0.0002739400000000, 0.0005157500000000, 0.0003554300000000 ]- atom: 88 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002846600000000, -0.0001133700000000, -0.0009195000000000 ] - [ 0.0015863700000000, 0.0009153500000000, -0.0005653000000000 ] - [ -0.0015863700000000, -0.0009153500000000, -0.0005653000000000 ] - [ -0.0002846600000000, 0.0001133700000000, -0.0009195000000000 ] - [ 0.0002019100000000, 0.0003657200000000, 0.0009276500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024409800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001199100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025807200000000 ] - [ -0.0003700200000000, 0.0000774600000000, -0.0009133800000000 ] - [ 0.0006284900000000, 0.0007398000000000, -0.0000820300000000 ] - [ -0.0006284900000000, -0.0007398000000000, -0.0000820300000000 ] - [ -0.0002019100000000, -0.0003657200000000, 0.0009276500000000 ] - [ 0.0002879200000000, 0.0036049900000000, -0.0012014800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0057221700000000 ] - [ -0.0002879200000000, -0.0036049900000000, -0.0012014800000000 ] - [ 0.0003700200000000, -0.0000774600000000, -0.0009133800000000 ] - [ 0.0003457500000000, -0.0001785900000000, -0.0001561000000000 ] - [ 0.0006546100000000, -0.0005687300000000, 0.0001020200000000 ] - [ -0.0006546100000000, 0.0005687300000000, 0.0001020200000000 ] - [ -0.0003457500000000, 0.0001785900000000, -0.0001561000000000 ] - [ 0.0000674800000000, 0.0000935400000000, -0.0001141300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002970700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005457000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005618000000000 ] - [ -0.0004536400000000, 0.0000301700000000, -0.0001451400000000 ] - [ 0.0005138700000000, 0.0011650500000000, 0.0014551200000000 ] - [ -0.0005138700000000, -0.0011650500000000, 0.0014551200000000 ] - [ -0.0000674800000000, -0.0000935400000000, -0.0001141300000000 ] - [ 0.0000211500000000, 0.0001121200000000, 0.0000918900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003149900000000 ] - [ -0.0000211500000000, -0.0001121200000000, 0.0000918900000000 ] - [ 0.0004536400000000, -0.0000301700000000, -0.0001451400000000 ] - [ -0.0004387000000000, 0.0009717800000000, -0.0005081400000000 ] - [ 0.0008771700000000, -0.0007024500000000, 0.0031552900000000 ] - [ 0.0004387000000000, -0.0009717800000000, -0.0005081400000000 ] - [ -0.0234827400000000, 0.0015923300000000, -0.0338766900000000 ] - [ 0.0001164800000000, -0.0002756000000000, -0.0011015500000000 ] - [ 0.0001777600000000, -0.0009828900000000, -0.0003278600000000 ] - [ -0.0027794400000000, -0.0048087300000000, -0.0016812600000000 ] - [ -0.0001164800000000, 0.0002756000000000, -0.0011015500000000 ] - [ 0.0004222100000000, 0.0007031800000000, 0.0009000600000000 ] - [ -0.0004222100000000, -0.0007031800000000, 0.0009000600000000 ] - [ 0.0002297500000000, -0.0022363600000000, -0.0013565200000000 ] - [ 0.0027794400000000, 0.0048087300000000, -0.0016812600000000 ] - [ -0.0002297500000000, 0.0022363600000000, -0.0013565200000000 ] - [ 0.0234827400000000, -0.0015923300000000, -0.0338766900000000 ] - [ -0.0008771700000000, 0.0007024500000000, 0.0031552900000000 ] - [ -0.0001777600000000, 0.0009828900000000, -0.0003278600000000 ] - [ -0.0003704700000000, 0.0005558400000000, -0.0004306200000000 ] - [ 0.0007724200000000, -0.0008914700000000, -0.0000823600000000 ] - [ 0.0003704700000000, -0.0005558400000000, -0.0004306200000000 ] - [ 0.0007237000000000, 0.0009597100000000, 0.0001666900000000 ] - [ 0.0000260300000000, -0.0002286300000000, 0.0004106500000000 ] - [ 0.0000452600000000, -0.0013573000000000, 0.0001109700000000 ] - [ -0.0004497100000000, -0.0001449300000000, -0.0004171500000000 ] - [ -0.0000260300000000, 0.0002286300000000, 0.0004106500000000 ] - [ 0.0005065000000000, 0.0001376500000000, -0.0006911600000000 ] - [ -0.0005065000000000, -0.0001376500000000, -0.0006911600000000 ] - [ -0.0002090000000000, -0.0008600200000000, -0.0006535200000000 ] - [ 0.0004497100000000, 0.0001449300000000, -0.0004171500000000 ] - [ 0.0002090000000000, 0.0008600200000000, -0.0006535200000000 ] - [ -0.0007237000000000, -0.0009597100000000, 0.0001666900000000 ] - [ -0.0007724200000000, 0.0008914700000000, -0.0000823600000000 ] - [ -0.0000452600000000, 0.0013573000000000, 0.0001109700000000 ] - [ 0.0002707800000000, -0.0005037800000000, 0.0003697000000000 ] - [ 0.0026447600000000, -0.0032511800000000, 0.0035079100000000 ] - [ -0.0098040900000000, 0.0033899600000000, -0.0062698500000000 ] - [ -0.0004983800000000, 0.0000350900000000, 0.0004962700000000 ] - [ -0.0026089800000000, -0.0055337400000000, -0.0006291600000000 ] - [ 0.0002785500000000, -0.0003732200000000, -0.0003694700000000 ] - [ 0.0051564500000000, 0.0034339900000000, 0.0008286700000000 ] - [ -0.0003096000000000, 0.0028161800000000, -0.0006055300000000 ] - [ -0.0003023600000000, -0.0000814700000000, -0.0002935100000000 ] - [ 0.0004242800000000, -0.0002775500000000, 0.0001044300000000 ] - [ 0.0026089800000000, 0.0055337400000000, -0.0006291600000000 ] - [ -0.0003579000000000, 0.0009330200000000, -0.0009101100000000 ] - [ -0.0003089900000000, 0.0007526600000000, 0.0009923300000000 ] - [ -0.0009896600000000, -0.0012382300000000, -0.0009396900000000 ] - [ -0.0051564500000000, -0.0034339900000000, 0.0008286700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019823900000000 ] - [ -0.0102107100000000, -0.0046592400000000, -0.0027129300000000 ] - [ 0.0003579000000000, -0.0009330200000000, -0.0009101100000000 ] - [ 0.0008587900000000, 0.0003082000000000, -0.0002284900000000 ] - [ 0.0008912600000000, 0.0000426400000000, 0.0002757200000000 ] - [ 0.0004983800000000, -0.0000350900000000, 0.0004962700000000 ] - [ 0.0005135100000000, 0.0005994800000000, 0.0010996200000000 ] - [ 0.0002951100000000, 0.0001425600000000, 0.0008485400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0781522700000000 ] - [ -0.0005906000000000, -0.0007125800000000, -0.0012770100000000 ] - [ 0.0000031400000000, -0.0005939900000000, -0.0017708500000000 ] - [ -0.0008912600000000, -0.0000426400000000, 0.0002757200000000 ] - [ 0.0001788700000000, 0.0005530300000000, 0.0004322700000000 ] - [ 0.0007449500000000, -0.0011129800000000, 0.0002465000000000 ] - [ 0.0009498200000000, -0.0009122700000000, -0.0002604300000000 ] - [ -0.0008587900000000, -0.0003082000000000, -0.0002284900000000 ] - [ -0.0004242800000000, 0.0002775500000000, 0.0001044300000000 ] - [ -0.0001788700000000, -0.0005530300000000, 0.0004322700000000 ] - [ 0.0098040900000000, -0.0033899600000000, -0.0062698500000000 ] - [ -0.0003491000000000, 0.0010996500000000, 0.0013050400000000 ] - [ -0.0002707800000000, 0.0005037800000000, 0.0003697000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005826000000000 ] - [ 0.0003096000000000, -0.0028161800000000, -0.0006055300000000 ] - [ -0.0000031400000000, 0.0005939900000000, -0.0017708500000000 ] - [ -0.0009498200000000, 0.0009122700000000, -0.0002604300000000 ] - [ -0.0007449500000000, 0.0011129800000000, 0.0002465000000000 ] - [ 0.0003089900000000, -0.0007526600000000, 0.0009923300000000 ] - [ 0.0005906000000000, 0.0007125800000000, -0.0012770100000000 ] - [ 0.0004745700000000, -0.0007672200000000, -0.0011162100000000 ] - [ -0.0004745700000000, 0.0007672200000000, -0.0011162100000000 ] - [ 0.0003491000000000, -0.0010996500000000, 0.0013050400000000 ] - [ 0.0003023600000000, 0.0000814700000000, -0.0002935100000000 ] - [ -0.0004773500000000, 0.0008049600000000, -0.0002706100000000 ] - [ -0.0002951100000000, -0.0001425600000000, 0.0008485400000000 ] - [ 0.0004773500000000, -0.0008049600000000, -0.0002706100000000 ] - [ -0.0005135100000000, -0.0005994800000000, 0.0010996200000000 ] - [ 0.0102107100000000, 0.0046592400000000, -0.0027129300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011416900000000 ] - [ -0.0002785500000000, 0.0003732200000000, -0.0003694700000000 ] - [ 0.0009896600000000, 0.0012382300000000, -0.0009396900000000 ] - [ -0.0026447600000000, 0.0032511800000000, 0.0035079100000000 ] - [ 0.0002644700000000, -0.0009052100000000, -0.0006290600000000 ] - [ -0.0002806600000000, -0.0006265600000000, 0.0001685600000000 ] - [ -0.0000764200000000, -0.0003335500000000, 0.0008257100000000 ] - [ -0.0004684100000000, -0.0007296100000000, 0.0004955300000000 ] - [ -0.0001565900000000, -0.0000062400000000, 0.0001216800000000 ] - [ 0.0001017400000000, -0.0003636300000000, 0.0009292100000000 ] - [ 0.0003155300000000, 0.0004483700000000, -0.0002262200000000 ] - [ -0.0004560400000000, 0.0010936600000000, 0.0003598400000000 ] - [ -0.0002538900000000, -0.0001212500000000, -0.0012517000000000 ] - [ 0.0002620200000000, -0.0000950900000000, -0.0006981500000000 ] - [ 0.0001565900000000, 0.0000062400000000, 0.0001216800000000 ] - [ 0.0001475800000000, 0.0000641800000000, 0.0001490900000000 ] - [ -0.0002803800000000, 0.0002784500000000, 0.0004181500000000 ] - [ -0.0001262900000000, -0.0002526200000000, -0.0001731800000000 ] - [ -0.0003155300000000, -0.0004483700000000, -0.0002262200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009380500000000 ] - [ 0.0000935800000000, -0.0003955500000000, -0.0001893000000000 ] - [ -0.0001475800000000, -0.0000641800000000, 0.0001490900000000 ] - [ 0.0006545200000000, 0.0002658600000000, -0.0003214600000000 ] - [ 0.0005531000000000, 0.0004777600000000, 0.0001925500000000 ] - [ 0.0004684100000000, 0.0007296100000000, 0.0004955300000000 ] - [ 0.0003071800000000, 0.0002798700000000, -0.0002183700000000 ] - [ 0.0002842600000000, -0.0001731700000000, 0.0003790500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002304200000000 ] - [ -0.0001245100000000, 0.0001613400000000, -0.0001089100000000 ] - [ -0.0000981100000000, -0.0003101100000000, -0.0000752800000000 ] - [ -0.0005531000000000, -0.0004777600000000, 0.0001925500000000 ] - [ 0.0001723800000000, 0.0002109300000000, -0.0002770300000000 ] - [ 0.0005867100000000, -0.0009105100000000, 0.0002855900000000 ] - [ 0.0010437800000000, -0.0008401700000000, -0.0003463000000000 ] - [ -0.0006545200000000, -0.0002658600000000, -0.0003214600000000 ] - [ -0.0002620200000000, 0.0000950900000000, -0.0006981500000000 ] - [ -0.0001723800000000, -0.0002109300000000, -0.0002770300000000 ] - [ 0.0000764200000000, 0.0003335500000000, 0.0008257100000000 ] - [ -0.0000852300000000, 0.0004973000000000, 0.0001800700000000 ] - [ -0.0002644700000000, 0.0009052100000000, -0.0006290600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010153500000000 ] - [ 0.0004560400000000, -0.0010936600000000, 0.0003598400000000 ] - [ 0.0000981100000000, 0.0003101100000000, -0.0000752800000000 ] - [ -0.0010437800000000, 0.0008401700000000, -0.0003463000000000 ] - [ -0.0005867100000000, 0.0009105100000000, 0.0002855900000000 ] - [ 0.0002803800000000, -0.0002784500000000, 0.0004181500000000 ] - [ 0.0001245100000000, -0.0001613400000000, -0.0001089100000000 ] - [ 0.0003038500000000, -0.0004021200000000, -0.0001456100000000 ] - [ -0.0003038500000000, 0.0004021200000000, -0.0001456100000000 ] - [ 0.0000852300000000, -0.0004973000000000, 0.0001800700000000 ] - [ 0.0002538900000000, 0.0001212500000000, -0.0012517000000000 ] - [ -0.0003279000000000, 0.0004191400000000, -0.0009556300000000 ] - [ -0.0002842600000000, 0.0001731700000000, 0.0003790500000000 ] - [ 0.0003279000000000, -0.0004191400000000, -0.0009556300000000 ] - [ -0.0003071800000000, -0.0002798700000000, -0.0002183700000000 ] - [ -0.0000935800000000, 0.0003955500000000, -0.0001893000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001538200000000 ] - [ -0.0001017400000000, 0.0003636300000000, 0.0009292100000000 ] - [ 0.0001262900000000, 0.0002526200000000, -0.0001731800000000 ] - [ 0.0002806600000000, 0.0006265600000000, 0.0001685600000000 ]- atom: 92 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003726100000000, -0.0001063600000000, -0.0004886100000000 ] - [ 0.0006280800000000, -0.0007122200000000, 0.0000174100000000 ] - [ -0.0009526900000000, 0.0006391200000000, 0.0001499500000000 ] - [ 0.0048350600000000, 0.0027359100000000, 0.0020033900000000 ] - [ -0.0000477400000000, 0.0002150800000000, -0.0001076100000000 ] - [ -0.0000369400000000, 0.0000030700000000, 0.0003395600000000 ] - [ 0.0000172500000000, 0.0000343800000000, 0.0005615400000000 ] - [ -0.0000031300000000, -0.0000772400000000, 0.0005074800000000 ] - [ -0.0043289600000000, 0.0035796700000000, 0.0013969800000000 ] - [ 0.0007189800000000, 0.0005023400000000, 0.0000577100000000 ] - [ 0.0007405500000000, 0.0009751600000000, -0.0001490300000000 ] - [ -0.0000473100000000, -0.0000109900000000, -0.0000096200000000 ] - [ 0.0000462100000000, -0.0000626800000000, -0.0000009200000000 ] - [ 0.0000309100000000, -0.0000828800000000, 0.0002327700000000 ] - [ 0.0001502800000000, -0.0003711400000000, -0.0003721300000000 ] - [ 0.0003639600000000, -0.0000070500000000, -0.0004915500000000 ] - [ 0.0005281800000000, -0.0000119200000000, -0.0007266400000000 ] - [ -0.0001785200000000, -0.0012569400000000, 0.0002289100000000 ] - [ -0.0006748500000000, 0.0006981300000000, 0.0000106300000000 ] - [ -0.0003582800000000, 0.0000229100000000, -0.0005053100000000 ] - [ -0.0000943800000000, -0.0000464900000000, 0.0000090900000000 ] - [ -0.0004589700000000, -0.0000482400000000, 0.0005907400000000 ] - [ 0.0001750400000000, 0.0000555400000000, 0.0007444500000000 ] - [ 0.0000385200000000, 0.0007398200000000, -0.0002234100000000 ] - [ -0.0003745900000000, -0.0000798000000000, -0.0005026200000000 ] - [ 0.0008823000000000, 0.0008464100000000, -0.0002708800000000 ] - [ -0.0006395400000000, -0.0006716800000000, 0.0000067200000000 ] - [ -0.0015302000000000, -0.0010126400000000, 0.0036838600000000 ] - [ 0.0009828100000000, -0.0004889500000000, -0.0002505400000000 ] - [ 0.0007105800000000, 0.0001856900000000, 0.0002358600000000 ] - [ 0.0000373200000000, 0.0000552600000000, -0.0000679100000000 ] - [ 0.0001885100000000, 0.0001133600000000, -0.0008247100000000 ] - [ -0.0003119900000000, -0.0001631600000000, -0.0003993500000000 ] - [ 0.0007727600000000, -0.0008813800000000, -0.0000668000000000 ] - [ -0.0000101300000000, -0.0005917400000000, -0.0000439600000000 ] - [ 0.0007820800000000, 0.0004391000000000, 0.0001224700000000 ] - [ 0.0957654600000000, 0.0340957600000000, 0.0543980600000000 ] - [ 0.0008073800000000, -0.0011983800000000, -0.0038108200000000 ] - [ -0.0004501300000000, -0.0001122400000000, -0.0004861500000000 ] - [ -0.0001327700000000, 0.0006059200000000, -0.0008837600000000 ] - [ 0.0004796800000000, -0.0000820100000000, -0.0005667200000000 ] - [ -0.0004583000000000, -0.0000625100000000, -0.0007774200000000 ] - [ -0.0001808800000000, -0.0007015200000000, -0.0008284900000000 ] - [ 0.0004021000000000, 0.0010720100000000, 0.0003966900000000 ] - [ -0.0011126000000000, -0.0006669600000000, -0.0010420100000000 ] - [ -0.0007215400000000, -0.0011131900000000, 0.0002584100000000 ] - [ -0.0007626600000000, 0.0008783500000000, -0.0000357300000000 ] - [ -0.0003212100000000, -0.0000627100000000, -0.0004094500000000 ] - [ -0.0012870700000000, -0.0006439100000000, 0.0016974100000000 ] - [ -0.0003147400000000, -0.0070291100000000, 0.0023885800000000 ] - [ 0.0003550400000000, -0.0000956500000000, -0.0004369900000000 ] - [ 0.0008561500000000, 0.0011533300000000, 0.0001673800000000 ] - [ 0.0001833500000000, -0.0006800400000000, -0.0008695900000000 ] - [ 0.0003006100000000, -0.0001293000000000, -0.0004505600000000 ] - [ -0.0006575300000000, 0.0006987000000000, -0.0008142700000000 ] - [ -0.0002009200000000, 0.0003993000000000, -0.0012146500000000 ] - [ -0.0052016500000000, 0.0069719500000000, 0.0086519600000000 ] - [ -0.0009235400000000, -0.0009626000000000, -0.0011418400000000 ] - [ -0.0000716800000000, -0.0002807800000000, -0.0011213300000000 ] - [ 0.0005081700000000, -0.0000425900000000, -0.0004861200000000 ] - [ 0.0001662700000000, 0.0006462600000000, -0.0007978500000000 ] - [ -0.0008846400000000, -0.0008765500000000, 0.0002063700000000 ] - [ -0.0001180100000000, 0.0040678800000000, -0.0004652400000000 ] - [ 0.0027630600000000, 0.0033809800000000, -0.0082830300000000 ] - [ 0.0003587600000000, -0.0006695900000000, 0.0004809700000000 ] - [ -0.0001395200000000, -0.0001488800000000, 0.0004917400000000 ] - [ -0.0000800800000000, -0.0001814000000000, 0.0009426400000000 ] - [ -0.0004079000000000, -0.0008955000000000, 0.0003826300000000 ] - [ -0.0003343500000000, -0.0002607700000000, 0.0000264400000000 ] - [ 0.0000952600000000, -0.0003548500000000, 0.0009096600000000 ] - [ 0.0002234800000000, 0.0005178700000000, -0.0002635200000000 ] - [ -0.0004584200000000, 0.0009661700000000, 0.0004007000000000 ] - [ 0.0052238400000000, 0.0023294000000000, 0.0045077700000000 ] - [ 0.0004096300000000, -0.0002652900000000, -0.0000689900000000 ] - [ 0.0001292700000000, -0.0000205800000000, 0.0001237300000000 ] - [ 0.0001673000000000, 0.0000755300000000, 0.0002163500000000 ] - [ -0.0002996300000000, 0.0002397800000000, 0.0006626400000000 ] - [ 0.0000773800000000, -0.0003137700000000, -0.0003198800000000 ] - [ -0.0003108600000000, -0.0003343400000000, -0.0001996700000000 ] - [ 0.0000674200000000, 0.0000832700000000, 0.0009495600000000 ] - [ 0.0001291200000000, -0.0005304000000000, -0.0002896200000000 ] - [ -0.0001560200000000, 0.0000249700000000, 0.0001546100000000 ] - [ 0.0008814100000000, 0.0006081800000000, -0.0002620100000000 ] - [ 0.0005680700000000, 0.0007148900000000, 0.0002653400000000 ] - [ 0.0004590000000000, 0.0009719900000000, 0.0004019600000000 ] - [ 0.0003656500000000, 0.0003176700000000, -0.0000843600000000 ] - [ 0.0023257200000000, 0.0014851700000000, -0.0017360000000000 ] - [ -0.0000690300000000, 0.0000728400000000, -0.0002384900000000 ] - [ -0.0001283400000000, 0.0002464700000000, -0.0001184600000000 ] - [ -0.0001011100000000, -0.0003033500000000, -0.0000162500000000 ] - [ -0.0003985200000000, 0.0002862700000000, 0.0005183300000000 ] - [ -0.1313588500000000, -0.0459839200000000, -0.0654783300000000 ] - [ 0.0006179600000000, -0.0005572500000000, -0.0000448100000000 ] - [ 0.0008602700000000, -0.0005386800000000, -0.0002561200000000 ] - [ 0.0002807400000000, -0.0004513500000000, 0.0000964000000000 ] - [ 0.0162030600000000, 0.0000831600000000, -0.0036791800000000 ] - [ -0.0001581700000000, -0.0004929700000000, 0.0002952800000000 ] - [ 0.0000949700000000, 0.0004198000000000, 0.0008820000000000 ] - [ -0.0001278600000000, 0.0005533200000000, 0.0002932400000000 ] - [ 0.0016352600000000, 0.0147573800000000, -0.0055012000000000 ] - [ -0.0000263700000000, -0.0000017100000000, 0.0009949800000000 ] - [ -0.0000349400000000, -0.0028527800000000, 0.0005054500000000 ] - [ 0.0001068600000000, 0.0003798600000000, -0.0000912400000000 ] - [ -0.0016241700000000, 0.0005149700000000, -0.0000771300000000 ] - [ -0.0005681100000000, 0.0006947800000000, 0.0002645700000000 ] - [ 0.0051734100000000, -0.0087687100000000, 0.0145312500000000 ] - [ 0.0000895400000000, -0.0001716400000000, -0.0000353900000000 ] - [ 0.0003112800000000, -0.0004048700000000, -0.0001730100000000 ] - [ -0.0002781500000000, 0.0002969200000000, -0.0001105800000000 ] - [ 0.0009402100000000, -0.0005197500000000, 0.0002628300000000 ] - [ 0.0003323900000000, 0.0003351900000000, -0.0006592700000000 ] - [ -0.0006420700000000, 0.0005812200000000, -0.0019317100000000 ] - [ -0.0002968000000000, -0.0001416000000000, 0.0006176700000000 ] - [ 0.0003184200000000, -0.0002471800000000, -0.0006559100000000 ] - [ -0.0020153800000000, 0.0008928300000000, 0.0000134000000000 ] - [ -0.0000986600000000, 0.0004598000000000, -0.0002196400000000 ] - [ 0.0000309200000000, -0.0000031700000000, -0.0001462700000000 ] - [ -0.0000796300000000, 0.0003396500000000, 0.0008795800000000 ] - [ 0.0001439500000000, 0.0002334500000000, -0.0001596900000000 ] - [ 0.0002733600000000, 0.0006323800000000, 0.0001953700000000 ] - [ 0.0002823100000000, -0.0004666600000000, 0.0003750300000000 ] - [ -0.0002821300000000, -0.0006847500000000, 0.0001928900000000 ] - [ -0.0001297800000000, -0.0004889000000000, 0.0007792200000000 ] - [ -0.0004305200000000, -0.0007156800000000, 0.0006204000000000 ] - [ -0.0001620600000000, 0.0000711500000000, 0.0000769400000000 ] - [ 0.0000336200000000, -0.0008688000000000, 0.0010708900000000 ] - [ 0.0003404600000000, 0.0004247300000000, -0.0001964500000000 ] - [ -0.0006978200000000, -0.0000020900000000, 0.0012698000000000 ] - [ -0.0003184500000000, -0.0002627500000000, -0.0006421000000000 ] - [ 0.0004611900000000, -0.0002948300000000, 0.0001157100000000 ] - [ -0.0001305600000000, -0.0000861500000000, -0.0002545700000000 ] - [ 0.0003490000000000, -0.0001798900000000, 0.0004367600000000 ] - [ -0.0003517800000000, 0.0003707900000000, 0.0009334400000000 ] - [ -0.0001078700000000, -0.0000790600000000, -0.0002004000000000 ] - [ -0.0005126800000000, -0.0007077800000000, -0.0004090800000000 ] - [ 0.0001050600000000, -0.0000828300000000, 0.0007379300000000 ] - [ 0.0000688200000000, -0.0003806000000000, -0.0003106100000000 ] - [ 0.0090143900000000, -0.0043706700000000, -0.0057815800000000 ] - [ 0.0039911300000000, -0.0002049400000000, 0.0007499200000000 ] - [ 0.0008340300000000, 0.0011153200000000, 0.0028932500000000 ] - [ 0.0005797600000000, 0.0029605700000000, -0.0010807700000000 ] - [ 0.0002477200000000, 0.0001843300000000, 0.0002339300000000 ] - [ 0.0002993600000000, 0.0002072800000000, 0.0006343600000000 ] - [ -0.0001795600000000, -0.0000408800000000, -0.0002334400000000 ] - [ -0.0015833600000000, -0.0015138900000000, -0.0023681800000000 ] - [ 0.0000395500000000, 0.0017002700000000, 0.0011017800000000 ] - [ -0.0005732000000000, -0.0006536700000000, 0.0002715900000000 ] - [ 0.0001256700000000, 0.0005517000000000, 0.0003103800000000 ] - [ 0.0005515400000000, -0.0006305200000000, 0.0002452800000000 ] - [ -0.0010808400000000, -0.0005503100000000, -0.0004344100000000 ] - [ -0.0008496200000000, -0.0005301200000000, -0.0002470400000000 ] - [ -0.0003673100000000, 0.0003085100000000, -0.0000595300000000 ] - [ -0.0002093600000000, -0.0004619400000000, 0.0004151400000000 ] - [ 0.0001442300000000, 0.0005001800000000, 0.0008451700000000 ] - [ -0.0001028500000000, 0.0004900600000000, 0.0006053000000000 ] - [ -0.0002781100000000, 0.0006088900000000, 0.0002617000000000 ] - [ -0.0017292400000000, 0.0003727100000000, 0.0005488400000000 ] - [ 0.0004587600000000, -0.0008402300000000, 0.0004394100000000 ] - [ -0.0011544100000000, -0.0025320200000000, 0.0007920700000000 ] - [ -0.0008874800000000, 0.0006118700000000, -0.0002522300000000 ] - [ -0.0037004300000000, 0.0016458800000000, -0.0002211900000000 ] - [ 0.0002970600000000, -0.0001550200000000, 0.0006266100000000 ] - [ -0.0001189100000000, -0.0001200100000000, 0.0001160600000000 ] - [ 0.0043791400000000, -0.0045139200000000, -0.0004451500000000 ] - [ -0.0002662000000000, 0.0007602900000000, -0.0002185500000000 ] - [ 0.0001502000000000, -0.0005111300000000, 0.0002777500000000 ] - [ 0.0001801200000000, -0.0000777100000000, -0.0002283200000000 ] - [ -0.0003327100000000, 0.0003066000000000, -0.0005970400000000 ] - [ -0.0001055600000000, -0.0004605800000000, 0.0010787700000000 ] - [ 0.0002942900000000, -0.0000937300000000, -0.0009552600000000 ] - [ -0.0003847100000000, -0.0002932200000000, -0.0000950900000000 ] - [ -0.0000876700000000, 0.0001023800000000, -0.0001293100000000 ] - [ 0.0025259000000000, 0.0000787500000000, -0.0004078400000000 ] - [ 0.0004497800000000, 0.0008264200000000, -0.0008533700000000 ] - [ 0.0001891500000000, -0.0000436800000000, 0.0001546500000000 ] - [ 0.0002808100000000, 0.0006115200000000, 0.0003194400000000 ]- atom: 92 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003670000000000, 0.0000094200000000, -0.0004973700000000 ] - [ 0.0006636900000000, -0.0005784500000000, 0.0000101200000000 ] - [ -0.0003472200000000, 0.0006710000000000, -0.0001218700000000 ] - [ -0.0056105600000000, -0.0029285900000000, -0.0029053700000000 ] - [ 0.0001249600000000, -0.0002405900000000, 0.0000937300000000 ] - [ 0.0000371700000000, -0.0000007800000000, 0.0002700800000000 ] - [ -0.0000169200000000, -0.0000322400000000, 0.0005443800000000 ] - [ 0.0000023800000000, 0.0000811000000000, 0.0005987100000000 ] - [ 0.0035913300000000, -0.0037302100000000, -0.0024034300000000 ] - [ 0.0005725200000000, 0.0007953400000000, -0.0000320300000000 ] - [ -0.0020297900000000, -0.0022734600000000, 0.0002274500000000 ] - [ -0.0000289900000000, 0.0000390100000000, -0.0000050500000000 ] - [ 0.0000305600000000, 0.0000914700000000, -0.0000148300000000 ] - [ -0.0000299300000000, 0.0000864900000000, 0.0003781700000000 ] - [ -0.0002251100000000, 0.0003514900000000, 0.0003537300000000 ] - [ 0.0003746200000000, 0.0001118500000000, -0.0004943300000000 ] - [ 0.0002135600000000, -0.0000924300000000, -0.0002554000000000 ] - [ 0.0014734400000000, -0.0000487300000000, -0.0001863500000000 ] - [ -0.0006156400000000, 0.0005980400000000, 0.0000198600000000 ] - [ -0.0003805500000000, 0.0000805900000000, -0.0004793700000000 ] - [ 0.0001708600000000, 0.0000255600000000, -0.0000256400000000 ] - [ 0.0004618700000000, 0.0000463200000000, 0.0000142300000000 ] - [ -0.0001768100000000, -0.0000605300000000, 0.0003576400000000 ] - [ -0.0000315400000000, -0.0007173700000000, 0.0013252000000000 ] - [ -0.0003643000000000, -0.0000185300000000, -0.0004823000000000 ] - [ 0.0004074700000000, 0.0004475800000000, 0.0003014900000000 ] - [ -0.0006517200000000, -0.0006197100000000, 0.0000213900000000 ] - [ 0.0014417600000000, 0.0010287200000000, -0.0037389200000000 ] - [ -0.0009099400000000, 0.0005075300000000, 0.0002295100000000 ] - [ -0.0007114000000000, -0.0001978800000000, 0.0003794400000000 ] - [ -0.0001149500000000, -0.0000786700000000, 0.0000551400000000 ] - [ 0.0005487800000000, -0.0000153300000000, -0.0001566000000000 ] - [ -0.0003107100000000, 0.0000442400000000, -0.0004591500000000 ] - [ 0.0007229800000000, -0.0009722100000000, 0.0001584200000000 ] - [ 0.0006479600000000, 0.0007074400000000, -0.0007448000000000 ] - [ 0.0007140600000000, 0.0014297700000000, -0.0000373300000000 ] - [ -0.1002881500000000, -0.0380393900000000, -0.0596896600000000 ] - [ -0.0001891200000000, 0.0010786800000000, 0.0029762000000000 ] - [ -0.0005076700000000, 0.0001177100000000, -0.0006265900000000 ] - [ -0.0002192300000000, 0.0006197300000000, -0.0008440200000000 ] - [ 0.0004781200000000, 0.0000869700000000, -0.0005445800000000 ] - [ -0.0004953200000000, 0.0000801300000000, -0.0003265000000000 ] - [ -0.0001706000000000, -0.0005088100000000, -0.0009034300000000 ] - [ 0.0005586900000000, -0.0010727300000000, -0.0015175000000000 ] - [ 0.0014605000000000, 0.0019070300000000, -0.0006726800000000 ] - [ -0.0007754100000000, -0.0007360400000000, -0.0001749300000000 ] - [ -0.0007335400000000, 0.0009866100000000, 0.0001238300000000 ] - [ -0.0003001000000000, 0.0001953500000000, -0.0004494600000000 ] - [ 0.0006845900000000, 0.0005002800000000, -0.0025886200000000 ] - [ 0.0018187500000000, 0.0051841400000000, -0.0023017700000000 ] - [ 0.0002660300000000, 0.0002303500000000, -0.0004192000000000 ] - [ 0.0006407400000000, 0.0007045200000000, -0.0000745500000000 ] - [ 0.0001686300000000, -0.0005309900000000, -0.0008613800000000 ] - [ 0.0003225300000000, 0.0000104400000000, -0.0004049200000000 ] - [ -0.0002942200000000, -0.0007126900000000, -0.0002886200000000 ] - [ -0.0001513500000000, 0.0008234400000000, -0.0005103800000000 ] - [ 0.0062862700000000, -0.0069129700000000, -0.0096589600000000 ] - [ -0.0000373100000000, 0.0009749300000000, 0.0000331900000000 ] - [ -0.0002835600000000, -0.0009549800000000, -0.0005958900000000 ] - [ 0.0004485200000000, 0.0000457000000000, -0.0006246200000000 ] - [ 0.0001864400000000, 0.0005737000000000, -0.0009321600000000 ] - [ -0.0006120500000000, -0.0009885100000000, -0.0001146100000000 ] - [ -0.0013801500000000, -0.0022147200000000, 0.0005457500000000 ] - [ -0.0034096000000000, -0.0032370300000000, 0.0074508200000000 ] - [ 0.0001950900000000, -0.0004737200000000, 0.0000443100000000 ] - [ -0.0004127700000000, -0.0009918900000000, 0.0000320600000000 ] - [ -0.0000930400000000, -0.0005209100000000, 0.0008126300000000 ] - [ -0.0005104900000000, -0.0009289100000000, 0.0004579900000000 ] - [ 0.0000405600000000, 0.0003166200000000, 0.0002458200000000 ] - [ 0.0000779800000000, -0.0003457200000000, 0.0008450800000000 ] - [ 0.0003985000000000, 0.0003252600000000, -0.0001095200000000 ] - [ -0.0004579200000000, 0.0008371600000000, 0.0004654500000000 ] - [ -0.0058702100000000, -0.0028439500000000, -0.0057883400000000 ] - [ 0.0003163900000000, -0.0003068500000000, -0.0000737600000000 ] - [ 0.0001659500000000, -0.0000365300000000, 0.0001471800000000 ] - [ 0.0001300100000000, -0.0000245100000000, 0.0000547000000000 ] - [ -0.0002967000000000, 0.0001582200000000, 0.0006183400000000 ] - [ -0.0003365600000000, -0.0000998500000000, 0.0000403500000000 ] - [ -0.0003126400000000, -0.0005203600000000, -0.0001757000000000 ] - [ -0.0000671800000000, -0.0000858900000000, 0.0009900900000000 ] - [ 0.0000618500000000, -0.0001725900000000, 0.0000339500000000 ] - [ -0.0001380500000000, -0.0000825700000000, 0.0001158800000000 ] - [ 0.0008617900000000, 0.0005396900000000, -0.0002468600000000 ] - [ 0.0005646400000000, 0.0006047500000000, 0.0002511500000000 ] - [ 0.0004579800000000, 0.0008312200000000, 0.0004647300000000 ] - [ 0.0003599700000000, 0.0002491100000000, -0.0000583100000000 ] - [ -0.0017735600000000, -0.0010994200000000, 0.0030654800000000 ] - [ 0.0000685400000000, -0.0000749300000000, -0.0001377500000000 ] - [ -0.0001302100000000, 0.0001650400000000, -0.0001635100000000 ] - [ -0.0000897000000000, -0.0004062000000000, -0.0002449600000000 ] - [ -0.0007278600000000, -0.0016040700000000, -0.0000034700000000 ] - [ 0.1365547500000000, 0.0499084700000000, 0.0697059800000000 ] - [ 0.0005137000000000, -0.0007675600000000, 0.0005659600000000 ] - [ 0.0008828300000000, -0.0006132800000000, -0.0002526900000000 ] - [ -0.0020024500000000, -0.0006925800000000, -0.0006117600000000 ] - [ -0.0171858800000000, 0.0004729200000000, 0.0035411400000000 ] - [ -0.0000933400000000, -0.0005459700000000, 0.0002952600000000 ] - [ 0.0000779800000000, 0.0002758500000000, 0.0008734500000000 ] - [ -0.0001235100000000, 0.0004796500000000, 0.0002960300000000 ] - [ -0.0022102800000000, -0.0137757700000000, 0.0060576100000000 ] - [ 0.0000264100000000, 0.0000003000000000, 0.0009428600000000 ] - [ 0.0009635800000000, 0.0010691200000000, 0.0003615900000000 ] - [ 0.0000831900000000, 0.0003189100000000, -0.0001663900000000 ] - [ -0.0001317500000000, 0.0006358000000000, -0.0004376000000000 ] - [ -0.0005642300000000, 0.0006249800000000, 0.0002515700000000 ] - [ -0.0046309200000000, 0.0085537800000000, -0.0134561200000000 ] - [ 0.0001679900000000, -0.0002446500000000, -0.0002471900000000 ] - [ 0.0003124100000000, -0.0004492200000000, -0.0002027300000000 ] - [ -0.0003451100000000, 0.0005536700000000, -0.0002668500000000 ] - [ -0.0006872800000000, -0.0005195600000000, 0.0003315000000000 ] - [ 0.0003110400000000, 0.0002229400000000, -0.0006331700000000 ] - [ 0.0000778400000000, -0.0000412200000000, 0.0005473700000000 ] - [ -0.0003001100000000, -0.0002652600000000, 0.0006661900000000 ] - [ 0.0003256700000000, -0.0003154800000000, -0.0006374600000000 ] - [ 0.0013232000000000, -0.0013421900000000, -0.0001809400000000 ] - [ -0.0000912900000000, 0.0002381100000000, -0.0000361400000000 ] - [ -0.0000302500000000, 0.0000018100000000, -0.0002321100000000 ] - [ -0.0000930500000000, 0.0003576100000000, 0.0008755800000000 ] - [ 0.0001149300000000, 0.0001782500000000, -0.0001219200000000 ] - [ 0.0002804700000000, 0.0004986800000000, 0.0003335900000000 ] - [ 0.0002714600000000, -0.0006727200000000, 0.0001493900000000 ] - [ -0.0002715100000000, -0.0004520300000000, 0.0003321500000000 ] - [ -0.0000455100000000, -0.0002091100000000, 0.0009747600000000 ] - [ -0.0004853700000000, -0.0010995000000000, 0.0002392300000000 ] - [ -0.0001326100000000, -0.0000169600000000, 0.0001951400000000 ] - [ 0.0001412600000000, 0.0001653500000000, 0.0006902900000000 ] - [ 0.0002836300000000, 0.0004264500000000, -0.0001798200000000 ] - [ -0.0002173200000000, 0.0018207500000000, -0.0004126500000000 ] - [ -0.0003251000000000, -0.0002997700000000, -0.0006522000000000 ] - [ 0.0002643000000000, -0.0002741800000000, -0.0002611700000000 ] - [ 0.0004265300000000, 0.0000409800000000, 0.0005198400000000 ] - [ -0.0000518000000000, 0.0002259200000000, -0.0001632400000000 ] - [ -0.0002446300000000, 0.0000284400000000, 0.0003422200000000 ] - [ -0.0001497600000000, -0.0003362300000000, -0.0000792300000000 ] - [ -0.0001176200000000, -0.0001429600000000, 0.0000328200000000 ] - [ -0.0001046000000000, 0.0000831600000000, 0.0011957400000000 ] - [ 0.0001220600000000, -0.0003200200000000, 0.0000531700000000 ] - [ -0.0092092500000000, 0.0042288300000000, 0.0059313100000000 ] - [ -0.0022689600000000, 0.0013645400000000, -0.0012639200000000 ] - [ 0.0003042000000000, 0.0002018500000000, -0.0023744000000000 ] - [ 0.0003288200000000, -0.0011332000000000, 0.0019432100000000 ] - [ 0.0004762500000000, 0.0003889900000000, -0.0003814000000000 ] - [ 0.0002975600000000, 0.0001926700000000, 0.0006480600000000 ] - [ 0.0001791300000000, 0.0000415800000000, -0.0001460000000000 ] - [ 0.0012823500000000, 0.0019776800000000, 0.0021225100000000 ] - [ -0.0002270800000000, -0.0024121900000000, -0.0013687400000000 ] - [ -0.0005595400000000, -0.0006715600000000, 0.0002445200000000 ] - [ 0.0001261500000000, 0.0004811900000000, 0.0002787900000000 ] - [ 0.0005812300000000, -0.0006953700000000, 0.0002724100000000 ] - [ 0.0028255100000000, -0.0006036200000000, -0.0000594100000000 ] - [ -0.0008932200000000, -0.0006218300000000, -0.0002626800000000 ] - [ -0.0003574700000000, 0.0002585000000000, -0.0000841600000000 ] - [ -0.0000426200000000, -0.0005724400000000, 0.0001727300000000 ] - [ 0.0000332800000000, 0.0001995800000000, 0.0009054100000000 ] - [ -0.0001469300000000, 0.0005488400000000, -0.0000176500000000 ] - [ -0.0002752800000000, 0.0005222600000000, 0.0002660500000000 ] - [ 0.0017397600000000, -0.0003777300000000, 0.0013982500000000 ] - [ 0.0004576300000000, -0.0009706800000000, 0.0004246400000000 ] - [ 0.0013271600000000, 0.0032104800000000, -0.0010392100000000 ] - [ -0.0008550000000000, 0.0005359800000000, -0.0002572200000000 ] - [ 0.0026099900000000, -0.0003283600000000, 0.0007151600000000 ] - [ 0.0003001200000000, -0.0002506200000000, 0.0006569600000000 ] - [ 0.0003793700000000, -0.0002964000000000, -0.0004001000000000 ] - [ -0.0037640100000000, 0.0036587000000000, 0.0000677500000000 ] - [ -0.0003569600000000, 0.0000891300000000, -0.0001558600000000 ] - [ 0.0001016800000000, -0.0005255100000000, 0.0003123600000000 ] - [ 0.0004651300000000, 0.0006374000000000, -0.0010650000000000 ] - [ -0.0003102800000000, 0.0002518700000000, -0.0006978300000000 ] - [ -0.0004916000000000, 0.0000636100000000, 0.0001896600000000 ] - [ 0.0003463300000000, -0.0004637400000000, -0.0003480200000000 ] - [ -0.0003402400000000, -0.0002768800000000, -0.0000483700000000 ] - [ -0.0001031000000000, 0.0006044400000000, -0.0001318400000000 ] - [ -0.0025325500000000, -0.0000816900000000, 0.0000339400000000 ] - [ -0.0006266200000000, -0.0001262300000000, 0.0026282300000000 ] - [ 0.0000696700000000, 0.0004646300000000, -0.0004357900000000 ] - [ 0.0002737000000000, 0.0005334100000000, 0.0002002800000000 ]- atom: 92 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003138800000000, -0.0008409400000000, -0.0004252100000000 ] - [ 0.0005435300000000, -0.0013084500000000, -0.0000030700000000 ] - [ -0.0000888200000000, -0.0010258300000000, -0.0003366000000000 ] - [ 0.0086441500000000, 0.0790916900000000, 0.0019360200000000 ] - [ -0.0000297200000000, -0.0003990800000000, 0.0003541000000000 ] - [ 0.0000610800000000, -0.0006919100000000, 0.0004414500000000 ] - [ -0.0000972400000000, -0.0007452300000000, 0.0006430200000000 ] - [ 0.0000991000000000, -0.0006351400000000, 0.0004580900000000 ] - [ -0.0004496300000000, 0.0024402000000000, 0.0005159900000000 ] - [ 0.0007510500000000, -0.0000984000000000, 0.0003396200000000 ] - [ -0.0009844000000000, 0.0047591100000000, -0.0043020500000000 ] - [ -0.0001006600000000, -0.0006616100000000, 0.0000139900000000 ] - [ 0.0000877900000000, -0.0007351300000000, 0.0000256000000000 ] - [ -0.0000426200000000, -0.0006201300000000, 0.0001782100000000 ] - [ -0.0000946700000000, -0.0007454400000000, -0.0002395800000000 ] - [ 0.0004405300000000, -0.0007312600000000, -0.0004535800000000 ] - [ 0.0004073100000000, 0.0007798000000000, -0.0005633800000000 ] - [ 0.0010379200000000, 0.0008541500000000, -0.0011305600000000 ] - [ -0.0007495400000000, 0.0002006900000000, -0.0002910000000000 ] - [ -0.0003854500000000, -0.0005366600000000, -0.0005626900000000 ] - [ -0.0000159400000000, -0.0008185300000000, 0.0002442100000000 ] - [ -0.0003726800000000, 0.0001439100000000, 0.0012164300000000 ] - [ 0.0001801300000000, 0.0003710500000000, 0.0011958700000000 ] - [ 0.0001336900000000, -0.0015122600000000, -0.0000380200000000 ] - [ -0.0003305300000000, -0.0006333700000000, -0.0005420500000000 ] - [ 0.0008536500000000, 0.0004759800000000, 0.0003849900000000 ] - [ -0.0005531700000000, -0.0012428300000000, -0.0000047500000000 ] - [ -0.0002447300000000, 0.0024597400000000, 0.0017301600000000 ] - [ -0.0007990100000000, 0.0017415900000000, -0.0017925000000000 ] - [ 0.0000312500000000, -0.0012726000000000, -0.0007464000000000 ] - [ 0.0001024500000000, -0.0005344800000000, -0.0003830700000000 ] - [ 0.0003420000000000, 0.0008477500000000, -0.0005620200000000 ] - [ -0.0001471500000000, -0.0015207900000000, -0.0003255700000000 ] - [ 0.0007801400000000, -0.0022236800000000, -0.0001927600000000 ] - [ -0.0017092600000000, 0.0055835800000000, -0.0070138300000000 ] - [ 0.0007971900000000, -0.0010476900000000, 0.0000620200000000 ] - [ 0.0385250000000000, 0.0476380700000000, 0.0285262700000000 ] - [ 0.0012157400000000, -0.0001149700000000, -0.0055140300000000 ] - [ -0.0004201200000000, -0.0014603300000000, -0.0002193700000000 ] - [ -0.0000039500000000, -0.0010989300000000, -0.0013324700000000 ] - [ 0.0004253600000000, -0.0012162600000000, -0.0003679200000000 ] - [ -0.0008450300000000, -0.0015599200000000, -0.0012118000000000 ] - [ -0.0002866300000000, -0.0020421400000000, -0.0005083600000000 ] - [ 0.0005740400000000, -0.0014751200000000, -0.0003653000000000 ] - [ 0.0004944600000000, -0.0027931600000000, -0.0025682900000000 ] - [ -0.0006568800000000, -0.0028469700000000, 0.0000820100000000 ] - [ -0.0007406800000000, -0.0001452900000000, 0.0002106500000000 ] - [ -0.0004490300000000, -0.0013098600000000, -0.0001857400000000 ] - [ -0.0008853200000000, 0.0053919500000000, 0.0036404100000000 ] - [ 0.0016756600000000, -0.0079616800000000, 0.0043677900000000 ] - [ 0.0005667600000000, -0.0016607500000000, -0.0005230100000000 ] - [ 0.0008614000000000, 0.0009816300000000, -0.0012668700000000 ] - [ 0.0002761200000000, -0.0018296300000000, -0.0006177600000000 ] - [ 0.0001112900000000, -0.0016052300000000, -0.0006751300000000 ] - [ -0.0011785600000000, 0.0028760600000000, -0.0012089900000000 ] - [ -0.0001258400000000, 0.0003525300000000, -0.0013518300000000 ] - [ 0.0026666100000000, 0.0063971400000000, -0.0019654100000000 ] - [ -0.0007534800000000, -0.0028180000000000, -0.0014225800000000 ] - [ 0.0000577900000000, 0.0016768400000000, -0.0015484800000000 ] - [ 0.0006286800000000, -0.0005995500000000, -0.0005428500000000 ] - [ 0.0001063600000000, -0.0001758800000000, -0.0009007700000000 ] - [ -0.0009147700000000, -0.0002847600000000, -0.0012060100000000 ] - [ -0.0016705500000000, -0.0006490300000000, 0.0012495800000000 ] - [ -0.0017547300000000, 0.0010496600000000, 0.0059649000000000 ] - [ 0.0004437100000000, 0.0007673800000000, 0.0007094000000000 ] - [ -0.0003524300000000, 0.0007740500000000, 0.0010349800000000 ] - [ -0.0000792400000000, 0.0002212900000000, 0.0011090300000000 ] - [ -0.0002658400000000, 0.0003945900000000, 0.0028295700000000 ] - [ -0.0000728900000000, 0.0006572000000000, -0.0001019900000000 ] - [ 0.0000208600000000, 0.0000653500000000, 0.0007354700000000 ] - [ 0.0004598500000000, 0.0014697100000000, -0.0003584800000000 ] - [ -0.0004278100000000, 0.0019312300000000, 0.0000039500000000 ] - [ 0.0057144000000000, -0.0005323400000000, 0.0068112800000000 ] - [ 0.0003033900000000, 0.0002815000000000, -0.0001367100000000 ] - [ 0.0002763200000000, 0.0005402000000000, 0.0002142300000000 ] - [ -0.0000467200000000, 0.0004592400000000, 0.0001751400000000 ] - [ -0.0003462400000000, 0.0010716700000000, 0.0009510300000000 ] - [ -0.0001717900000000, 0.0002293100000000, -0.0004503400000000 ] - [ -0.0002883200000000, 0.0002742900000000, -0.0001063100000000 ] - [ 0.0000307100000000, 0.0004892600000000, 0.0009762600000000 ] - [ 0.0000061500000000, 0.0003732000000000, -0.0000589000000000 ] - [ -0.0002784500000000, 0.0004905500000000, 0.0002538800000000 ] - [ 0.0008382500000000, 0.0010011200000000, -0.0003235200000000 ] - [ 0.0005904000000000, 0.0012865000000000, 0.0003282600000000 ] - [ 0.0004374400000000, 0.0018124500000000, 0.0000237100000000 ] - [ 0.0004164200000000, 0.0007565500000000, -0.0000972400000000 ] - [ 0.0050080900000000, 0.0022418200000000, -0.0051933400000000 ] - [ 0.0000085500000000, 0.0004321700000000, -0.0002194500000000 ] - [ -0.0001096400000000, 0.0006231600000000, -0.0000498400000000 ] - [ 0.0000075500000000, 0.0005855100000000, 0.0001985400000000 ] - [ -0.0010197700000000, -0.0004159700000000, 0.0008832500000000 ] - [ -0.0474478300000000, -0.1404144800000000, -0.0266120100000000 ] - [ 0.0001155800000000, -0.0001800600000000, -0.0007724200000000 ] - [ 0.0009024000000000, -0.0001449600000000, -0.0002673800000000 ] - [ 0.0003692100000000, -0.0019681400000000, 0.0010489600000000 ] - [ 0.0014841300000000, -0.0061735600000000, -0.0053012800000000 ] - [ -0.0001019400000000, 0.0001570700000000, 0.0001506300000000 ] - [ 0.0001419900000000, 0.0009581200000000, 0.0009330200000000 ] - [ -0.0001652200000000, 0.0010635900000000, 0.0003765500000000 ] - [ 0.0101347100000000, 0.0222606800000000, -0.0053813700000000 ] - [ 0.0000330200000000, 0.0003050900000000, 0.0009355500000000 ] - [ 0.0003697500000000, -0.0004813000000000, 0.0000511300000000 ] - [ 0.0001775400000000, 0.0009267100000000, -0.0001959400000000 ] - [ -0.0006756400000000, -0.0000370800000000, 0.0006274200000000 ] - [ -0.0005977000000000, 0.0012831700000000, 0.0003575800000000 ] - [ -0.0124702800000000, -0.0026088300000000, -0.0136529300000000 ] - [ 0.0002410600000000, 0.0000801600000000, 0.0000251100000000 ] - [ 0.0002892900000000, 0.0001485600000000, -0.0001157600000000 ] - [ -0.0003128700000000, 0.0008097900000000, -0.0001962000000000 ] - [ 0.0001283800000000, 0.0006958500000000, 0.0000267900000000 ] - [ 0.0003980400000000, 0.0007653900000000, -0.0007738500000000 ] - [ -0.0067295400000000, 0.0025997100000000, 0.0084206900000000 ] - [ -0.0002556300000000, 0.0006435300000000, 0.0003999600000000 ] - [ 0.0002457100000000, 0.0001802100000000, -0.0007284900000000 ] - [ -0.0050538200000000, -0.0102703000000000, 0.0028711900000000 ] - [ -0.0001585200000000, 0.0012009600000000, -0.0004024000000000 ] - [ -0.0000687500000000, 0.0002657000000000, -0.0001641700000000 ] - [ -0.0001148800000000, 0.0007795800000000, 0.0007872300000000 ] - [ 0.0001625700000000, 0.0006290700000000, -0.0001443300000000 ] - [ 0.0002899300000000, 0.0016743700000000, -0.0002063900000000 ] - [ 0.0003097200000000, -0.0001152500000000, 0.0003520900000000 ] - [ -0.0002814800000000, -0.0002186600000000, 0.0007037700000000 ] - [ -0.0001727500000000, -0.0001983700000000, 0.0016586200000000 ] - [ -0.0004525100000000, 0.0004617600000000, 0.0012416700000000 ] - [ -0.0001065300000000, 0.0002724500000000, -0.0000825200000000 ] - [ 0.0000045000000000, 0.0001735300000000, 0.0001844700000000 ] - [ 0.0003429000000000, 0.0006394600000000, -0.0000469400000000 ] - [ -0.0007441800000000, -0.0017208000000000, 0.0024980400000000 ] - [ -0.0002526500000000, 0.0001533500000000, -0.0006042400000000 ] - [ 0.0003620600000000, -0.0003876500000000, -0.0000534200000000 ] - [ -0.0000129400000000, -0.0010335700000000, 0.0000683600000000 ] - [ 0.0000874300000000, 0.0007493000000000, 0.0002265100000000 ] - [ -0.0002653700000000, -0.0000382800000000, 0.0010892700000000 ] - [ -0.0002572000000000, 0.0001825100000000, -0.0004604100000000 ] - [ -0.0005071300000000, -0.0005094800000000, 0.0005390700000000 ] - [ -0.0000429300000000, -0.0000647700000000, 0.0014877200000000 ] - [ 0.0000467500000000, -0.0004327200000000, -0.0002399500000000 ] - [ 0.0015008000000000, 0.0015876200000000, 0.0025259000000000 ] - [ 0.0005241300000000, 0.0002126500000000, -0.0016193400000000 ] - [ 0.0005160000000000, -0.0032836600000000, -0.0004257400000000 ] - [ 0.0005482300000000, -0.0044518500000000, 0.0030107000000000 ] - [ 0.0004087200000000, -0.0003808400000000, -0.0000711400000000 ] - [ 0.0003259900000000, 0.0007882000000000, 0.0007415200000000 ] - [ -0.0000083800000000, -0.0000783800000000, 0.0001233300000000 ] - [ -0.0015077400000000, 0.0022619600000000, 0.0058917400000000 ] - [ -0.0002082200000000, 0.0028401300000000, 0.0014308500000000 ] - [ -0.0005441100000000, -0.0000806300000000, 0.0002642600000000 ] - [ 0.0001637500000000, 0.0010121000000000, 0.0004085900000000 ] - [ 0.0005396200000000, -0.0000167700000000, 0.0000915500000000 ] - [ 0.0010773400000000, -0.0015739800000000, -0.0014647100000000 ] - [ -0.0008479100000000, -0.0000741700000000, -0.0001871200000000 ] - [ -0.0004230000000000, 0.0007027800000000, -0.0000416900000000 ] - [ -0.0000728500000000, -0.0007343400000000, 0.0003203200000000 ] - [ 0.0003115600000000, 0.0004526000000000, 0.0021533000000000 ] - [ -0.0000986300000000, -0.0002262000000000, 0.0002110400000000 ] - [ -0.0002975200000000, 0.0015242100000000, -0.0000990900000000 ] - [ -0.0007666700000000, 0.0003146500000000, 0.0002530600000000 ] - [ 0.0004950200000000, -0.0002261800000000, 0.0005799100000000 ] - [ 0.0002417400000000, -0.0000089200000000, -0.0004922500000000 ] - [ -0.0008978400000000, 0.0010711000000000, -0.0002347500000000 ] - [ 0.0002894100000000, -0.0038640400000000, 0.0002758200000000 ] - [ 0.0002657600000000, 0.0004690500000000, 0.0004468600000000 ] - [ -0.0002268700000000, 0.0004159600000000, 0.0003697300000000 ] - [ -0.0013801500000000, 0.0002696700000000, -0.0005555600000000 ] - [ -0.0003909600000000, 0.0013383200000000, -0.0005965600000000 ] - [ 0.0001211700000000, -0.0001741000000000, 0.0002290600000000 ] - [ 0.0003427600000000, -0.0003490600000000, -0.0010297300000000 ] - [ -0.0003995300000000, 0.0007024600000000, -0.0004491000000000 ] - [ -0.0001531700000000, -0.0016329300000000, 0.0011679100000000 ] - [ 0.0005453200000000, -0.0013094100000000, -0.0005615500000000 ] - [ -0.0003722700000000, -0.0000053200000000, -0.0000543200000000 ] - [ -0.0000203900000000, -0.0004714500000000, 0.0003596300000000 ] - [ 0.0027716400000000, 0.0011351300000000, -0.0007668900000000 ] - [ 0.0004187200000000, 0.0003439400000000, -0.0018604000000000 ] - [ 0.0005228800000000, -0.0008029900000000, -0.0007375500000000 ] - [ 0.0002829300000000, -0.0009239700000000, 0.0012218000000000 ]- atom: 92 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004260100000000, 0.0007391300000000, -0.0005616000000000 ] - [ 0.0007478600000000, 0.0000131200000000, 0.0000338300000000 ] - [ -0.0011973200000000, 0.0023154800000000, 0.0003676000000000 ] - [ -0.0089183800000000, -0.0747708500000000, -0.0024029000000000 ] - [ 0.0001038600000000, 0.0003775200000000, -0.0003694800000000 ] - [ -0.0000609100000000, 0.0006925500000000, 0.0001684400000000 ] - [ 0.0000971300000000, 0.0007457800000000, 0.0004622100000000 ] - [ -0.0000990700000000, 0.0006352700000000, 0.0006471100000000 ] - [ -0.0002966200000000, -0.0025152700000000, -0.0014970800000000 ] - [ 0.0005404700000000, 0.0013955400000000, -0.0003098300000000 ] - [ -0.0002824700000000, -0.0060106400000000, 0.0044152300000000 ] - [ 0.0000263500000000, 0.0006853800000000, -0.0000293200000000 ] - [ -0.0000135800000000, 0.0007587800000000, -0.0000411000000000 ] - [ 0.0000425300000000, 0.0006203500000000, 0.0004316400000000 ] - [ 0.0000197800000000, 0.0007257700000000, 0.0002211600000000 ] - [ 0.0002991400000000, 0.0008345700000000, -0.0005330600000000 ] - [ 0.0003334500000000, -0.0008792500000000, -0.0004235100000000 ] - [ 0.0002499600000000, -0.0021484300000000, 0.0011537300000000 ] - [ -0.0005419500000000, 0.0010936200000000, 0.0003223100000000 ] - [ -0.0003545400000000, 0.0006391100000000, -0.0004236800000000 ] - [ 0.0000903200000000, 0.0007963500000000, -0.0002603900000000 ] - [ 0.0003785300000000, -0.0001435000000000, -0.0006116300000000 ] - [ -0.0001825400000000, -0.0003734500000000, -0.0000938700000000 ] - [ -0.0001286500000000, 0.0014933600000000, 0.0011470200000000 ] - [ -0.0004092500000000, 0.0005307000000000, -0.0004444700000000 ] - [ 0.0004385500000000, 0.0008217800000000, -0.0003543000000000 ] - [ -0.0007382000000000, -0.0000525800000000, 0.0000356000000000 ] - [ 0.0001666600000000, -0.0024556400000000, -0.0017230800000000 ] - [ 0.0008831600000000, -0.0017207100000000, 0.0017740900000000 ] - [ -0.0000342300000000, 0.0012685900000000, 0.0013631000000000 ] - [ -0.0001778400000000, 0.0005088400000000, 0.0003693600000000 ] - [ 0.0003968900000000, -0.0007418900000000, -0.0004254700000000 ] - [ -0.0004752800000000, 0.0013959800000000, -0.0005304400000000 ] - [ 0.0007176600000000, 0.0003637800000000, 0.0002775300000000 ] - [ 0.0023198800000000, -0.0054123900000000, 0.0061564400000000 ] - [ 0.0006995600000000, 0.0029085100000000, 0.0000246400000000 ] - [ -0.0389872200000000, -0.0486653000000000, -0.0307376700000000 ] - [ -0.0005879500000000, 0.0000105100000000, 0.0046882400000000 ] - [ -0.0005389900000000, 0.0014611300000000, -0.0008891700000000 ] - [ -0.0003471100000000, 0.0023180800000000, -0.0003986400000000 ] - [ 0.0005337600000000, 0.0012167800000000, -0.0007406000000000 ] - [ -0.0001163900000000, 0.0015565800000000, 0.0001031600000000 ] - [ -0.0000633100000000, 0.0008254700000000, -0.0012251200000000 ] - [ 0.0003879300000000, 0.0014759900000000, -0.0007397000000000 ] - [ -0.0001508800000000, 0.0040072900000000, 0.0008402300000000 ] - [ -0.0008400200000000, 0.0009854900000000, 0.0000044300000000 ] - [ -0.0007568000000000, 0.0020068000000000, -0.0001245100000000 ] - [ -0.0001736100000000, 0.0014354600000000, -0.0006698500000000 ] - [ 0.0002622800000000, -0.0054999400000000, -0.0044851200000000 ] - [ -0.0002022200000000, 0.0060820300000000, -0.0042664100000000 ] - [ 0.0000556200000000, 0.0017866600000000, -0.0003312900000000 ] - [ 0.0006367900000000, 0.0008744000000000, 0.0013499600000000 ] - [ 0.0000738700000000, 0.0006127000000000, -0.0011156200000000 ] - [ 0.0005111300000000, 0.0014800900000000, -0.0001788300000000 ] - [ 0.0002208700000000, -0.0028789500000000, 0.0001016900000000 ] - [ -0.0002245900000000, 0.0008681400000000, -0.0003815400000000 ] - [ -0.0017524000000000, -0.0064019300000000, 0.0008660200000000 ] - [ -0.0001998500000000, 0.0028291600000000, 0.0003209000000000 ] - [ -0.0004087800000000, -0.0028964400000000, -0.0001827800000000 ] - [ 0.0003301300000000, 0.0005977900000000, -0.0005676600000000 ] - [ 0.0002435900000000, 0.0013908500000000, -0.0008343200000000 ] - [ -0.0005839000000000, -0.0015830100000000, 0.0012857700000000 ] - [ 0.0001796000000000, 0.0024815200000000, -0.0011687600000000 ] - [ 0.0011414300000000, -0.0008906700000000, -0.0068490400000000 ] - [ 0.0001054900000000, -0.0018998700000000, -0.0001827300000000 ] - [ -0.0002006000000000, -0.0019081900000000, -0.0005098500000000 ] - [ -0.0000888000000000, -0.0009232400000000, 0.0006495600000000 ] - [ -0.0006503200000000, -0.0021999400000000, -0.0019537200000000 ] - [ -0.0002117600000000, -0.0006079200000000, 0.0003687500000000 ] - [ 0.0001476600000000, -0.0007680700000000, 0.0010230300000000 ] - [ 0.0001638900000000, -0.0006153700000000, -0.0000206100000000 ] - [ -0.0004902500000000, -0.0001176900000000, 0.0008598100000000 ] - [ -0.0063169800000000, -0.0000440100000000, -0.0080920900000000 ] - [ 0.0004283000000000, -0.0008485800000000, -0.0000059500000000 ] - [ 0.0000089100000000, -0.0005894900000000, 0.0000522700000000 ] - [ 0.0003307700000000, -0.0004086500000000, 0.0000906900000000 ] - [ -0.0002498700000000, -0.0006723500000000, 0.0003272600000000 ] - [ -0.0000953300000000, -0.0006438400000000, 0.0001668800000000 ] - [ -0.0003353200000000, -0.0011256600000000, -0.0002718100000000 ] - [ -0.0000317400000000, -0.0004891900000000, 0.0009493500000000 ] - [ 0.0001832600000000, -0.0010708400000000, -0.0001928800000000 ] - [ -0.0000066900000000, -0.0005397900000000, 0.0000127700000000 ] - [ 0.0009046200000000, 0.0001385300000000, -0.0001841600000000 ] - [ 0.0005425200000000, 0.0000359600000000, 0.0001917400000000 ] - [ 0.0004806600000000, 0.0000013400000000, 0.0008404400000000 ] - [ 0.0003154800000000, -0.0001893900000000, -0.0000454100000000 ] - [ -0.0043603600000000, -0.0018292000000000, 0.0064218200000000 ] - [ -0.0000079300000000, -0.0004315500000000, -0.0001497000000000 ] - [ -0.0001553900000000, -0.0002084800000000, -0.0002332900000000 ] - [ -0.0001968300000000, -0.0012807000000000, -0.0004486400000000 ] - [ -0.0001177400000000, -0.0009110500000000, -0.0003623600000000 ] - [ 0.0484128300000000, 0.1374526700000000, 0.0269803600000000 ] - [ 0.0010144300000000, -0.0011385000000000, 0.0012884000000000 ] - [ 0.0008409100000000, -0.0009940700000000, -0.0002400400000000 ] - [ -0.0021153600000000, 0.0008148600000000, -0.0015564700000000 ] - [ -0.0021511100000000, 0.0067348000000000, 0.0051502700000000 ] - [ -0.0001542000000000, -0.0011921700000000, 0.0004393700000000 ] - [ 0.0000265800000000, -0.0002544700000000, 0.0008256900000000 ] - [ -0.0000907500000000, -0.0000287500000000, 0.0002136300000000 ] - [ -0.0109804300000000, -0.0215597100000000, 0.0060005200000000 ] - [ -0.0000327300000000, -0.0003050200000000, 0.0009903300000000 ] - [ 0.0005468000000000, -0.0013378100000000, 0.0008089700000000 ] - [ 0.0000122500000000, -0.0002283200000000, -0.0000548200000000 ] - [ -0.0010652200000000, 0.0011716300000000, -0.0011357700000000 ] - [ -0.0005352600000000, 0.0000392600000000, 0.0001621400000000 ] - [ 0.0129618300000000, 0.0022238400000000, 0.0148670200000000 ] - [ 0.0000256500000000, -0.0004942300000000, -0.0003090100000000 ] - [ 0.0003343600000000, -0.0009998500000000, -0.0002620600000000 ] - [ -0.0003108900000000, 0.0000415800000000, -0.0001817600000000 ] - [ 0.0001273500000000, -0.0017282000000000, 0.0005620900000000 ] - [ 0.0002462700000000, -0.0002012700000000, -0.0005218900000000 ] - [ 0.0059968200000000, -0.0020088400000000, -0.0096281900000000 ] - [ -0.0003407000000000, -0.0010429600000000, 0.0008788300000000 ] - [ 0.0003985800000000, -0.0007439800000000, -0.0005680100000000 ] - [ 0.0042799300000000, 0.0095991700000000, -0.0029505500000000 ] - [ -0.0000311000000000, -0.0005027300000000, 0.0001517200000000 ] - [ 0.0000684900000000, -0.0002656100000000, -0.0002048700000000 ] - [ -0.0000537700000000, -0.0000765400000000, 0.0009714500000000 ] - [ 0.0001024400000000, -0.0002145200000000, -0.0001388400000000 ] - [ 0.0002624800000000, -0.0005439400000000, 0.0007351200000000 ] - [ 0.0002428500000000, -0.0010158100000000, 0.0001758300000000 ] - [ -0.0002711800000000, -0.0009083600000000, -0.0001730400000000 ] - [ 0.0000051900000000, -0.0005012100000000, 0.0001013700000000 ] - [ -0.0004659300000000, -0.0022758900000000, -0.0003800000000000 ] - [ -0.0001782800000000, -0.0002223900000000, 0.0003499700000000 ] - [ 0.0001642300000000, -0.0008737900000000, 0.0015764400000000 ] - [ 0.0002808000000000, 0.0002154200000000, -0.0003315100000000 ] - [ -0.0001780400000000, 0.0035307400000000, -0.0016361100000000 ] - [ -0.0003915900000000, -0.0007169800000000, -0.0006927100000000 ] - [ 0.0003698500000000, -0.0001803900000000, -0.0000886000000000 ] - [ 0.0003010800000000, 0.0009892000000000, 0.0001972000000000 ] - [ 0.0001936000000000, -0.0006967800000000, 0.0000362300000000 ] - [ -0.0003310400000000, 0.0004354300000000, 0.0001886900000000 ] - [ -0.0000075300000000, -0.0005978500000000, 0.0001786700000000 ] - [ -0.0001130300000000, -0.0003405100000000, -0.0009168500000000 ] - [ 0.0000433100000000, 0.0000668200000000, 0.0004400000000000 ] - [ 0.0001435500000000, -0.0002629600000000, -0.0000074800000000 ] - [ -0.0017497900000000, -0.0016245200000000, -0.0022539000000000 ] - [ 0.0012257800000000, 0.0009240800000000, 0.0011122200000000 ] - [ 0.0006140600000000, 0.0045881900000000, 0.0009541900000000 ] - [ 0.0003776700000000, 0.0062546400000000, -0.0021479100000000 ] - [ 0.0003216800000000, 0.0009470400000000, -0.0000701500000000 ] - [ 0.0002703100000000, -0.0003873100000000, 0.0005380200000000 ] - [ 0.0000081700000000, 0.0000803200000000, -0.0004906100000000 ] - [ 0.0012727500000000, -0.0018510600000000, -0.0062674200000000 ] - [ 0.0000258500000000, -0.0035671300000000, -0.0017126300000000 ] - [ -0.0005886200000000, -0.0012405400000000, 0.0002547900000000 ] - [ 0.0000924300000000, 0.0000228400000000, 0.0001819400000000 ] - [ 0.0005932000000000, -0.0013054100000000, 0.0004287300000000 ] - [ 0.0006574100000000, 0.0004298800000000, 0.0009575600000000 ] - [ -0.0008953200000000, -0.0010649000000000, -0.0003209400000000 ] - [ -0.0003088400000000, -0.0001354500000000, -0.0001012600000000 ] - [ -0.0001824800000000, -0.0003017400000000, 0.0002702600000000 ] - [ -0.0001436700000000, 0.0002540700000000, -0.0003900200000000 ] - [ -0.0001566100000000, 0.0012607300000000, 0.0003801400000000 ] - [ -0.0002550900000000, -0.0003932700000000, 0.0006280300000000 ] - [ 0.0007877300000000, -0.0003082300000000, 0.0016757700000000 ] - [ 0.0004229500000000, -0.0015865800000000, 0.0002848100000000 ] - [ -0.0000447000000000, 0.0007295800000000, 0.0002264300000000 ] - [ -0.0008450800000000, 0.0000685900000000, -0.0002733200000000 ] - [ -0.0014105700000000, 0.0051528400000000, 0.0002156000000000 ] - [ 0.0003305000000000, -0.0008682900000000, 0.0008321300000000 ] - [ 0.0004952100000000, -0.0008328800000000, -0.0006585200000000 ] - [ 0.0020004100000000, -0.0010958100000000, 0.0001756800000000 ] - [ -0.0002305800000000, -0.0004827100000000, 0.0002180200000000 ] - [ 0.0001346800000000, -0.0008594500000000, 0.0003618200000000 ] - [ 0.0003021200000000, 0.0009085600000000, -0.0002660100000000 ] - [ -0.0002448500000000, -0.0001377600000000, -0.0008479400000000 ] - [ -0.0004418000000000, 0.0012293200000000, 0.0001065700000000 ] - [ 0.0000992400000000, 0.0007429200000000, -0.0007350800000000 ] - [ -0.0003591500000000, -0.0005604700000000, -0.0000881200000000 ] - [ -0.0001698300000000, 0.0011714700000000, -0.0006101500000000 ] - [ -0.0028248600000000, -0.0011403300000000, 0.0003985300000000 ] - [ -0.0005984000000000, 0.0003649600000000, 0.0036648500000000 ] - [ -0.0002612500000000, 0.0012215200000000, 0.0004578500000000 ] - [ 0.0002695200000000, 0.0020564900000000, -0.0006924500000000 ]- atom: 92 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003618900000000, -0.0001875800000000, -0.0004297300000000 ] - [ 0.0006190400000000, -0.0007772600000000, 0.0000400900000000 ] - [ -0.0004332100000000, -0.0005687400000000, 0.0003209100000000 ] - [ 0.0046211000000000, 0.0095005200000000, 0.0022257600000000 ] - [ 0.0000874100000000, 0.0004499700000000, -0.0003404000000000 ] - [ -0.0000208800000000, 0.0000150300000000, 0.0003323900000000 ] - [ 0.0000145100000000, 0.0000428100000000, 0.0005549900000000 ] - [ 0.0000488600000000, -0.0002845300000000, 0.0005248200000000 ] - [ -0.0016702200000000, 0.0009103300000000, 0.0028230400000000 ] - [ 0.0006198200000000, 0.0007111600000000, 0.0001151500000000 ] - [ 0.0017872300000000, -0.0027597000000000, 0.0056818800000000 ] - [ -0.0000554900000000, -0.0000943100000000, -0.0000352800000000 ] - [ 0.0000440900000000, -0.0001511400000000, 0.0000316500000000 ] - [ -0.0000365300000000, -0.0002654700000000, 0.0002655500000000 ] - [ 0.0000976800000000, -0.0008101200000000, 0.0004119100000000 ] - [ 0.0003800900000000, -0.0000645300000000, -0.0004362100000000 ] - [ 0.0001527100000000, 0.0001965200000000, -0.0017356200000000 ] - [ 0.0003634900000000, -0.0004095800000000, -0.0018553600000000 ] - [ -0.0007077900000000, 0.0003479000000000, -0.0001277000000000 ] - [ -0.0003780200000000, -0.0000923600000000, -0.0005492800000000 ] - [ -0.0000705700000000, 0.0002501100000000, 0.0000949000000000 ] - [ -0.0001989200000000, 0.0004497800000000, -0.0001554000000000 ] - [ 0.0001094900000000, 0.0004330600000000, 0.0002162800000000 ] - [ 0.0004656600000000, -0.0021742400000000, 0.0008180100000000 ] - [ -0.0003563600000000, -0.0001759000000000, -0.0005455000000000 ] - [ 0.0007329100000000, 0.0010812500000000, -0.0004532700000000 ] - [ -0.0006349400000000, -0.0007529600000000, -0.0000258200000000 ] - [ 0.0013130000000000, 0.0012376500000000, 0.0014771900000000 ] - [ -0.0001577100000000, 0.0001231900000000, -0.0028372900000000 ] - [ -0.0003150100000000, -0.0022644600000000, 0.0004735900000000 ] - [ -0.0000808100000000, -0.0004579400000000, -0.0001118000000000 ] - [ 0.0004429900000000, 0.0001977200000000, -0.0016981500000000 ] - [ -0.0002918700000000, -0.0002420700000000, -0.0004960800000000 ] - [ 0.0008264400000000, -0.0010532000000000, -0.0004123100000000 ] - [ -0.0002755100000000, -0.0057408400000000, -0.0052009800000000 ] - [ 0.0007018200000000, 0.0005460800000000, 0.0003760000000000 ] - [ 0.0536851500000000, 0.0270369600000000, 0.0610628600000000 ] - [ 0.0012094400000000, -0.0020765400000000, -0.0047122000000000 ] - [ -0.0004349900000000, -0.0002350600000000, -0.0004397700000000 ] - [ -0.0001399600000000, 0.0002879300000000, -0.0006742400000000 ] - [ 0.0004901800000000, -0.0002660400000000, -0.0005750500000000 ] - [ -0.0007247700000000, -0.0011856800000000, -0.0014420700000000 ] - [ -0.0002007200000000, -0.0008743800000000, -0.0007509000000000 ] - [ 0.0001611300000000, 0.0010805900000000, 0.0006226400000000 ] - [ 0.0003278000000000, 0.0009577000000000, -0.0004438700000000 ] - [ -0.0006351000000000, -0.0014774100000000, 0.0005214900000000 ] - [ -0.0007835300000000, 0.0007572800000000, -0.0002000000000000 ] - [ -0.0003272700000000, -0.0000843400000000, -0.0003979000000000 ] - [ -0.0000525400000000, 0.0027662600000000, -0.0004491900000000 ] - [ 0.0000186600000000, -0.0012751000000000, 0.0011197100000000 ] - [ 0.0003657200000000, -0.0003610700000000, -0.0004505000000000 ] - [ 0.0009555900000000, 0.0003646900000000, -0.0018656700000000 ] - [ 0.0001982500000000, -0.0008464700000000, -0.0008608800000000 ] - [ 0.0002652700000000, -0.0004419200000000, -0.0004137400000000 ] - [ -0.0005862100000000, 0.0018026900000000, -0.0025403600000000 ] - [ -0.0001573000000000, -0.0002270200000000, -0.0018208700000000 ] - [ 0.0027001200000000, 0.0000205000000000, 0.0047459000000000 ] - [ -0.0001959700000000, -0.0003327000000000, -0.0001503700000000 ] - [ 0.0000965200000000, 0.0015443500000000, -0.0038309800000000 ] - [ 0.0005408000000000, -0.0000920900000000, -0.0008679800000000 ] - [ 0.0001777700000000, 0.0003489400000000, -0.0011481200000000 ] - [ -0.0009933000000000, -0.0012649200000000, -0.0018529800000000 ] - [ 0.0011349600000000, 0.0043967700000000, 0.0040330900000000 ] - [ 0.0007462700000000, 0.0042274400000000, -0.0062803400000000 ] - [ 0.0001610400000000, -0.0003311100000000, -0.0000863000000000 ] - [ -0.0003933100000000, -0.0006090600000000, 0.0000635600000000 ] - [ -0.0000485400000000, -0.0000915000000000, 0.0007579800000000 ] - [ -0.0003502400000000, 0.0004289100000000, 0.0018180100000000 ] - [ -0.0002583300000000, -0.0002308200000000, 0.0000023400000000 ] - [ 0.0001231100000000, -0.0003886300000000, 0.0010079200000000 ] - [ 0.0004327800000000, 0.0009043900000000, -0.0004470600000000 ] - [ -0.0004545000000000, 0.0010738900000000, 0.0003538600000000 ] - [ 0.0051635300000000, 0.0023271800000000, 0.0033897100000000 ] - [ 0.0003184000000000, -0.0002129800000000, -0.0002439700000000 ] - [ 0.0001493000000000, 0.0000185100000000, 0.0001337100000000 ] - [ 0.0000587200000000, 0.0003428800000000, 0.0002527200000000 ] - [ -0.0003063400000000, 0.0003202500000000, 0.0006188000000000 ] - [ 0.0000165800000000, -0.0003882800000000, -0.0003947600000000 ] - [ -0.0003051900000000, -0.0002581300000000, -0.0002153500000000 ] - [ -0.0000157900000000, 0.0001339700000000, 0.0008683600000000 ] - [ 0.0000963400000000, -0.0005647000000000, -0.0004438700000000 ] - [ -0.0002030900000000, 0.0001179400000000, 0.0001814300000000 ] - [ 0.0008558100000000, 0.0006263700000000, -0.0002574400000000 ] - [ 0.0005684800000000, 0.0007616300000000, 0.0002692300000000 ] - [ 0.0004508600000000, 0.0010905600000000, 0.0003582500000000 ] - [ 0.0003564700000000, 0.0003651100000000, -0.0001176700000000 ] - [ 0.0009273700000000, -0.0004822000000000, -0.0014875100000000 ] - [ 0.0000192200000000, 0.0001101900000000, -0.0003307600000000 ] - [ -0.0001185000000000, 0.0002985200000000, -0.0001024500000000 ] - [ -0.0000645100000000, 0.0001432900000000, 0.0002326100000000 ] - [ -0.0007280100000000, 0.0008602200000000, 0.0004691700000000 ] - [ -0.0666505000000000, -0.0256428200000000, -0.0791220600000000 ] - [ 0.0005701500000000, -0.0012801400000000, 0.0002528400000000 ] - [ 0.0008743200000000, -0.0005281900000000, -0.0002505400000000 ] - [ -0.0022705400000000, 0.0001499000000000, 0.0006594800000000 ] - [ -0.0004414100000000, -0.0043235200000000, -0.0111696600000000 ] - [ -0.0001236000000000, -0.0003732800000000, 0.0001464100000000 ] - [ 0.0000991400000000, 0.0005369600000000, 0.0008398800000000 ] - [ -0.0001222400000000, 0.0005997100000000, 0.0002780100000000 ] - [ -0.0045155800000000, -0.0030723900000000, -0.0051768000000000 ] - [ -0.0000107100000000, 0.0000301300000000, 0.0010719100000000 ] - [ 0.0001906900000000, -0.0027824800000000, 0.0001711200000000 ] - [ 0.0001267400000000, 0.0004719700000000, -0.0000693300000000 ] - [ -0.0004126500000000, 0.0011495200000000, 0.0002588700000000 ] - [ -0.0005735400000000, 0.0007951200000000, 0.0002758600000000 ] - [ 0.0078175500000000, -0.0075295200000000, 0.0071816700000000 ] - [ 0.0001610200000000, 0.0000711500000000, 0.0001210800000000 ] - [ 0.0003088300000000, -0.0003421700000000, -0.0001304200000000 ] - [ -0.0002803500000000, 0.0002962400000000, 0.0000142000000000 ] - [ 0.0000890100000000, -0.0002502200000000, -0.0004941000000000 ] - [ 0.0003240700000000, 0.0003177700000000, -0.0007000900000000 ] - [ -0.0040868200000000, 0.0029828400000000, 0.0017808400000000 ] - [ -0.0002897000000000, 0.0000033600000000, 0.0005491300000000 ] - [ 0.0003079000000000, -0.0002183900000000, -0.0007016900000000 ] - [ -0.0018191700000000, -0.0035222600000000, -0.0016690300000000 ] - [ -0.0000914700000000, 0.0004890700000000, -0.0002594100000000 ] - [ -0.0000112500000000, 0.0000297300000000, -0.0000788000000000 ] - [ -0.0000929700000000, 0.0003739500000000, 0.0009158200000000 ] - [ 0.0001310000000000, 0.0002758900000000, -0.0001559700000000 ] - [ 0.0002732700000000, 0.0007474500000000, 0.0001027400000000 ] - [ 0.0002755900000000, -0.0003085700000000, 0.0005897700000000 ] - [ -0.0003049900000000, -0.0003213200000000, 0.0007505900000000 ] - [ -0.0001595600000000, 0.0001284800000000, 0.0015703500000000 ] - [ -0.0004819000000000, -0.0005517200000000, 0.0005494600000000 ] - [ -0.0002470000000000, -0.0001074200000000, 0.0002702500000000 ] - [ 0.0001462800000000, -0.0013540700000000, 0.0011596500000000 ] - [ 0.0003400300000000, 0.0008132700000000, 0.0000143000000000 ] - [ -0.0006235300000000, -0.0005813000000000, 0.0018667100000000 ] - [ -0.0003073100000000, -0.0001708700000000, -0.0006000800000000 ] - [ 0.0005337800000000, -0.0003378300000000, 0.0005226500000000 ] - [ -0.0001555300000000, -0.0003267700000000, -0.0001250400000000 ] - [ -0.0001782200000000, 0.0005258800000000, -0.0001489100000000 ] - [ -0.0004325800000000, 0.0010170800000000, 0.0018233300000000 ] - [ -0.0000406200000000, -0.0002272300000000, 0.0000453300000000 ] - [ -0.0004550800000000, 0.0001076800000000, 0.0008885600000000 ] - [ -0.0000506400000000, 0.0001463500000000, 0.0015695800000000 ] - [ 0.0001188900000000, -0.0002681500000000, 0.0002503100000000 ] - [ 0.0028943200000000, 0.0022035300000000, 0.0015489700000000 ] - [ 0.0023270200000000, -0.0005402100000000, 0.0006814900000000 ] - [ 0.0006150600000000, -0.0000134300000000, 0.0022215000000000 ] - [ 0.0004720600000000, -0.0004690200000000, 0.0009130400000000 ] - [ 0.0006733400000000, 0.0000525000000000, 0.0012159800000000 ] - [ 0.0003095300000000, 0.0003855600000000, 0.0007541800000000 ] - [ -0.0000271000000000, 0.0000941600000000, 0.0003777500000000 ] - [ -0.0023996800000000, 0.0063864000000000, 0.0048950100000000 ] - [ 0.0001907700000000, -0.0007026800000000, -0.0011304800000000 ] - [ -0.0005535800000000, -0.0004471800000000, 0.0002226200000000 ] - [ 0.0001396700000000, 0.0006314700000000, 0.0003456400000000 ] - [ 0.0005411800000000, -0.0006643600000000, 0.0002678500000000 ] - [ 0.0000962400000000, -0.0019839500000000, 0.0010976700000000 ] - [ -0.0008722300000000, -0.0004653500000000, -0.0002467200000000 ] - [ -0.0003829500000000, 0.0003749500000000, -0.0000281400000000 ] - [ -0.0002452700000000, -0.0005423800000000, 0.0007558600000000 ] - [ 0.0005255300000000, 0.0010799000000000, 0.0023563300000000 ] - [ -0.0004367200000000, 0.0004326000000000, 0.0012834800000000 ] - [ -0.0002883100000000, 0.0007870700000000, 0.0002577400000000 ] - [ -0.0004439800000000, -0.0000699300000000, 0.0003457300000000 ] - [ 0.0004572100000000, -0.0008686900000000, 0.0004703000000000 ] - [ -0.0000958500000000, 0.0020636900000000, -0.0030203900000000 ] - [ -0.0008857100000000, 0.0007001200000000, -0.0002601200000000 ] - [ -0.0087067900000000, 0.0064554400000000, 0.0080827800000000 ] - [ 0.0002929200000000, -0.0001145300000000, 0.0006540100000000 ] - [ 0.0001671700000000, -0.0001389200000000, -0.0003518000000000 ] - [ 0.0055230200000000, -0.0066850200000000, -0.0019051400000000 ] - [ -0.0002402400000000, 0.0002512800000000, -0.0003932800000000 ] - [ 0.0001065000000000, -0.0004515800000000, 0.0003788800000000 ] - [ 0.0003102500000000, -0.0004005500000000, 0.0003913100000000 ] - [ -0.0003446900000000, 0.0004039700000000, -0.0005885600000000 ] - [ -0.0002086400000000, -0.0006238400000000, 0.0038057300000000 ] - [ 0.0003441200000000, -0.0006034100000000, 0.0005065700000000 ] - [ -0.0003592300000000, -0.0001898300000000, 0.0000751000000000 ] - [ -0.0001251000000000, -0.0004441300000000, 0.0010222300000000 ] - [ 0.0003755100000000, -0.0005906800000000, -0.0012039600000000 ] - [ 0.0004135000000000, -0.0003091600000000, 0.0000295000000000 ] - [ -0.0002596600000000, -0.0002948300000000, 0.0010191800000000 ] - [ 0.0002420200000000, -0.0004117700000000, 0.0015872100000000 ]- atom: 92 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003772700000000, 0.0000861400000000, -0.0005555400000000 ] - [ 0.0006718700000000, -0.0005169600000000, -0.0000123500000000 ] - [ -0.0008594500000000, 0.0018612000000000, -0.0002910400000000 ] - [ -0.0053304700000000, -0.0096861300000000, -0.0031747500000000 ] - [ -0.0000105800000000, -0.0004731700000000, 0.0003238700000000 ] - [ 0.0000209600000000, -0.0000150900000000, 0.0002774900000000 ] - [ -0.0000145300000000, -0.0000427100000000, 0.0005506400000000 ] - [ -0.0000489100000000, 0.0002836100000000, 0.0005808400000000 ] - [ 0.0009269000000000, -0.0010019700000000, -0.0037976600000000 ] - [ 0.0006712200000000, 0.0005827600000000, -0.0000872100000000 ] - [ -0.0028667200000000, 0.0012246700000000, -0.0051440300000000 ] - [ -0.0000213000000000, 0.0001188800000000, 0.0000201000000000 ] - [ 0.0000328000000000, 0.0001756200000000, -0.0000469400000000 ] - [ 0.0000367500000000, 0.0002644900000000, 0.0003447500000000 ] - [ -0.0001736200000000, 0.0007804700000000, -0.0004286500000000 ] - [ 0.0003587400000000, 0.0001650500000000, -0.0005490700000000 ] - [ 0.0005838800000000, -0.0002975300000000, 0.0007463100000000 ] - [ 0.0009237200000000, -0.0008861500000000, 0.0018794700000000 ] - [ -0.0005834900000000, 0.0009463400000000, 0.0001544100000000 ] - [ -0.0003608700000000, 0.0001930100000000, -0.0004362600000000 ] - [ 0.0001471000000000, -0.0002744500000000, -0.0001093400000000 ] - [ 0.0001983300000000, -0.0004483500000000, 0.0007652100000000 ] - [ -0.0001116800000000, -0.0004384600000000, 0.0008888600000000 ] - [ -0.0004644000000000, 0.0021709300000000, 0.0002879900000000 ] - [ -0.0003824700000000, 0.0000748300000000, -0.0004401600000000 ] - [ 0.0005583300000000, 0.0002137600000000, 0.0004796600000000 ] - [ -0.0006559900000000, -0.0005413800000000, 0.0000531400000000 ] - [ -0.0013798200000000, -0.0011982000000000, -0.0014748300000000 ] - [ 0.0002432900000000, -0.0001016300000000, 0.0028267400000000 ] - [ 0.0003199100000000, 0.0022776700000000, 0.0001319000000000 ] - [ 0.0000049300000000, 0.0004340200000000, 0.0000955100000000 ] - [ 0.0002974100000000, -0.0000965900000000, 0.0007080400000000 ] - [ -0.0003301000000000, 0.0001155000000000, -0.0003611500000000 ] - [ 0.0006698700000000, -0.0008067900000000, 0.0004987500000000 ] - [ 0.0008963400000000, 0.0058093600000000, 0.0043431900000000 ] - [ 0.0007942400000000, 0.0013129400000000, -0.0002880700000000 ] - [ -0.0551407500000000, -0.0291838800000000, -0.0632578800000000 ] - [ -0.0005790100000000, 0.0019575300000000, 0.0038491900000000 ] - [ -0.0005222400000000, 0.0002331900000000, -0.0006709300000000 ] - [ -0.0002118700000000, 0.0009280700000000, -0.0010561500000000 ] - [ 0.0004673200000000, 0.0002641100000000, -0.0005355800000000 ] - [ -0.0002326300000000, 0.0011847700000000, 0.0003283200000000 ] - [ -0.0001515000000000, -0.0003436200000000, -0.0009790400000000 ] - [ 0.0007964000000000, -0.0010771600000000, -0.0017303500000000 ] - [ 0.0000152000000000, 0.0002757000000000, -0.0012697300000000 ] - [ -0.0008608000000000, -0.0003835600000000, -0.0004336600000000 ] - [ -0.0007128300000000, 0.0011016600000000, 0.0002865300000000 ] - [ -0.0002949100000000, 0.0002099800000000, -0.0004593400000000 ] - [ -0.0005862000000000, -0.0029041200000000, -0.0004202900000000 ] - [ 0.0014752500000000, -0.0006083100000000, -0.0010101300000000 ] - [ 0.0002569100000000, 0.0004852200000000, -0.0004075800000000 ] - [ 0.0005401500000000, 0.0014948200000000, 0.0019546500000000 ] - [ 0.0001540900000000, -0.0003711700000000, -0.0008690900000000 ] - [ 0.0003567500000000, 0.0003149400000000, -0.0004442000000000 ] - [ -0.0003574700000000, -0.0017940600000000, 0.0014329900000000 ] - [ -0.0001946400000000, 0.0014397400000000, 0.0000876300000000 ] - [ -0.0017346100000000, -0.0000592900000000, -0.0058919600000000 ] - [ -0.0007630200000000, 0.0003282200000000, -0.0009624400000000 ] - [ -0.0004483700000000, -0.0027469500000000, 0.0020861700000000 ] - [ 0.0004160400000000, 0.0000936000000000, -0.0002423100000000 ] - [ 0.0001747200000000, 0.0008688500000000, -0.0005816100000000 ] - [ -0.0005036300000000, -0.0005918700000000, 0.0019397600000000 ] - [ -0.0026218600000000, -0.0025249800000000, -0.0039340300000000 ] - [ -0.0013459300000000, -0.0040830400000000, 0.0054183800000000 ] - [ 0.0003926200000000, -0.0008041600000000, 0.0006117200000000 ] - [ -0.0001595900000000, -0.0005275200000000, 0.0004603800000000 ] - [ -0.0001240700000000, -0.0006066600000000, 0.0009966900000000 ] - [ -0.0005668900000000, -0.0022333300000000, -0.0009545100000000 ] - [ -0.0000357800000000, 0.0002848900000000, 0.0002676200000000 ] - [ 0.0000497900000000, -0.0003102500000000, 0.0007477000000000 ] - [ 0.0001908800000000, -0.0000527600000000, 0.0000708000000000 ] - [ -0.0004620200000000, 0.0007349900000000, 0.0005100000000000 ] - [ -0.0057607800000000, -0.0028536600000000, -0.0046729100000000 ] - [ 0.0004073700000000, -0.0003553400000000, 0.0001002700000000 ] - [ 0.0001458200000000, -0.0000726900000000, 0.0001371800000000 ] - [ 0.0002361100000000, -0.0002871200000000, 0.0000184600000000 ] - [ -0.0002904600000000, 0.0000828800000000, 0.0006639400000000 ] - [ -0.0002746000000000, -0.0000254100000000, 0.0001120600000000 ] - [ -0.0003185700000000, -0.0005923600000000, -0.0001601700000000 ] - [ 0.0000157300000000, -0.0001334300000000, 0.0010706000000000 ] - [ 0.0000940400000000, -0.0001369800000000, 0.0001854300000000 ] - [ -0.0000917600000000, -0.0001718000000000, 0.0000894300000000 ] - [ 0.0008871100000000, 0.0005239300000000, -0.0002520800000000 ] - [ 0.0005642900000000, 0.0005614600000000, 0.0002473900000000 ] - [ 0.0004661300000000, 0.0007179500000000, 0.0005056900000000 ] - [ 0.0003693300000000, 0.0002042200000000, -0.0000256400000000 ] - [ -0.0003499300000000, 0.0008743100000000, 0.0027896300000000 ] - [ -0.0000193800000000, -0.0001096900000000, -0.0000471000000000 ] - [ -0.0001402500000000, 0.0001154900000000, -0.0001791100000000 ] - [ -0.0001256600000000, -0.0008442800000000, -0.0004894600000000 ] - [ -0.0004043100000000, -0.0021717700000000, 0.0000453700000000 ] - [ 0.0684976500000000, 0.0279360300000000, 0.0796342100000000 ] - [ 0.0005653900000000, -0.0000441500000000, 0.0002663200000000 ] - [ 0.0008688300000000, -0.0006215600000000, -0.0002586300000000 ] - [ 0.0005076000000000, -0.0012886900000000, -0.0011668400000000 ] - [ -0.0002639300000000, 0.0049253500000000, 0.0110606100000000 ] - [ -0.0001283000000000, -0.0006612600000000, 0.0004427700000000 ] - [ 0.0000738400000000, 0.0001628700000000, 0.0009152900000000 ] - [ -0.0001296600000000, 0.0004360900000000, 0.0003113700000000 ] - [ 0.0039938400000000, 0.0042543500000000, 0.0056736200000000 ] - [ 0.0000106300000000, -0.0000298800000000, 0.0008666400000000 ] - [ 0.0007279400000000, 0.0009754700000000, 0.0006940900000000 ] - [ 0.0000636000000000, 0.0002302000000000, -0.0001882200000000 ] - [ -0.0013267000000000, 0.0000047400000000, -0.0007675800000000 ] - [ -0.0005592300000000, 0.0005280800000000, 0.0002408500000000 ] - [ -0.0073617000000000, 0.0072295300000000, -0.0058853900000000 ] - [ 0.0000978000000000, -0.0004834800000000, -0.0004017200000000 ] - [ 0.0003148200000000, -0.0005087400000000, -0.0002447300000000 ] - [ -0.0003431700000000, 0.0005553300000000, -0.0003900700000000 ] - [ 0.0001625000000000, -0.0007846900000000, 0.0010804800000000 ] - [ 0.0003194900000000, 0.0002431700000000, -0.0005936400000000 ] - [ 0.0034337100000000, -0.0024057500000000, -0.0030990300000000 ] - [ -0.0003070300000000, -0.0004049900000000, 0.0007328800000000 ] - [ 0.0003356600000000, -0.0003416900000000, -0.0005928200000000 ] - [ 0.0011209900000000, 0.0030175100000000, 0.0014780600000000 ] - [ -0.0000987600000000, 0.0002130600000000, 0.0000015300000000 ] - [ 0.0000114000000000, -0.0000295900000000, -0.0002986700000000 ] - [ -0.0000798800000000, 0.0003255400000000, 0.0008396000000000 ] - [ 0.0001279000000000, 0.0001381800000000, -0.0001256400000000 ] - [ 0.0002803500000000, 0.0003894200000000, 0.0004230300000000 ] - [ 0.0002777300000000, -0.0008259500000000, -0.0000620600000000 ] - [ -0.0002484200000000, -0.0008158300000000, -0.0002249100000000 ] - [ -0.0000118600000000, -0.0008296000000000, 0.0001830400000000 ] - [ -0.0004345000000000, -0.0012538200000000, 0.0003162000000000 ] - [ -0.0000470800000000, 0.0001624900000000, 0.0000004100000000 ] - [ 0.0000255700000000, 0.0006499900000000, 0.0005986400000000 ] - [ 0.0002837600000000, 0.0000370300000000, -0.0003898000000000 ] - [ -0.0002990400000000, 0.0023674400000000, -0.0010080600000000 ] - [ -0.0003361000000000, -0.0003893200000000, -0.0006937900000000 ] - [ 0.0001924000000000, -0.0002297900000000, -0.0006638100000000 ] - [ 0.0004456800000000, 0.0002840400000000, 0.0003512900000000 ] - [ 0.0004738600000000, -0.0004709000000000, 0.0004202500000000 ] - [ -0.0001658800000000, -0.0006108800000000, -0.0005351600000000 ] - [ -0.0002180800000000, -0.0001861600000000, -0.0003269400000000 ] - [ -0.0001657400000000, -0.0009598400000000, -0.0012653100000000 ] - [ 0.0000502500000000, -0.0001463400000000, 0.0003701000000000 ] - [ 0.0000716900000000, -0.0004339600000000, -0.0005081900000000 ] - [ -0.0031871300000000, -0.0022543000000000, -0.0012810800000000 ] - [ -0.0005904000000000, 0.0016894100000000, -0.0011889000000000 ] - [ 0.0005173400000000, 0.0013300100000000, -0.0016860500000000 ] - [ 0.0004509300000000, 0.0022752800000000, -0.0000478100000000 ] - [ 0.0000543000000000, 0.0005139300000000, -0.0013535800000000 ] - [ 0.0002873700000000, 0.0000169500000000, 0.0005283200000000 ] - [ 0.0000275400000000, -0.0000938800000000, -0.0007558400000000 ] - [ 0.0021842100000000, -0.0060954100000000, -0.0052724200000000 ] - [ -0.0003823100000000, 0.0000114400000000, 0.0008803800000000 ] - [ -0.0005790600000000, -0.0008750700000000, 0.0002938000000000 ] - [ 0.0001125900000000, 0.0004042000000000, 0.0002443300000000 ] - [ 0.0005913300000000, -0.0006578100000000, 0.0002484100000000 ] - [ 0.0016474900000000, 0.0008460500000000, -0.0016257000000000 ] - [ -0.0008704900000000, -0.0006837900000000, -0.0002625100000000 ] - [ -0.0003425900000000, 0.0001944100000000, -0.0001152600000000 ] - [ -0.0000075200000000, -0.0004915400000000, -0.0001645600000000 ] - [ -0.0003550300000000, -0.0003810100000000, -0.0006025300000000 ] - [ 0.0001814200000000, 0.0006010700000000, -0.0006905100000000 ] - [ -0.0002652900000000, 0.0003497600000000, 0.0002686400000000 ] - [ 0.0004386200000000, 0.0000709800000000, 0.0015933000000000 ] - [ 0.0004595300000000, -0.0009391500000000, 0.0003938700000000 ] - [ 0.0002899900000000, -0.0013562600000000, 0.0027617600000000 ] - [ -0.0008573900000000, 0.0004507600000000, -0.0002490100000000 ] - [ 0.0074415800000000, -0.0050502000000000, -0.0074379300000000 ] - [ 0.0003039100000000, -0.0002872900000000, 0.0006285200000000 ] - [ 0.0000905500000000, -0.0002711600000000, 0.0000728300000000 ] - [ -0.0048399300000000, 0.0057824300000000, 0.0015319500000000 ] - [ -0.0003831700000000, 0.0005987800000000, 0.0000167300000000 ] - [ 0.0001458000000000, -0.0005836100000000, 0.0002110200000000 ] - [ 0.0003298700000000, 0.0009586200000000, -0.0016817300000000 ] - [ -0.0002989800000000, 0.0001569000000000, -0.0007045700000000 ] - [ -0.0003862900000000, 0.0002224900000000, -0.0024920100000000 ] - [ 0.0003021100000000, 0.0000427100000000, -0.0017973400000000 ] - [ -0.0003664400000000, -0.0003792700000000, -0.0002186000000000 ] - [ -0.0000667800000000, 0.0011455600000000, -0.0012812300000000 ] - [ -0.0003537300000000, 0.0005903200000000, 0.0008198800000000 ] - [ -0.0005819400000000, 0.0010029400000000, 0.0017195100000000 ] - [ 0.0005118600000000, 0.0007058000000000, -0.0012934800000000 ] - [ 0.0003111500000000, 0.0015449200000000, -0.0010573200000000 ]