# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/13f076c8-9d48-4bfc-bcd2-298b11b571ec/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 FeP4 / P2_1/c (14) / materials id 27164](https://mdr.nims.go.jp/datasets/1c4db4cb-0ed2-4b14-a24f-645bebe13bda) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.568263390000000, 0.000000000000000, 0.001872840000000 ] # a - [ 0.000000000000000, 13.543152149999999, 0.000000000000000 ] # b - [ -1.379617760000000, 0.000000000000000, 6.796646340000000 ] # c points: - symbol: P # 1 coordinates: [ 0.507538840000000, 0.220102980000000, 0.032265060000000 ] mass: 30.973762 - symbol: P # 2 coordinates: [ 0.492461160000000, 0.720102980000000, 0.467734940000000 ] mass: 30.973762 - symbol: P # 3 coordinates: [ 0.492461160000000, 0.779897020000000, 0.967734940000000 ] mass: 30.973762 - symbol: P # 4 coordinates: [ 0.507538840000000, 0.279897020000000, 0.532265060000000 ] mass: 30.973762 - symbol: P # 5 coordinates: [ 0.067426920000000, 0.225066940000000, 0.364904630000000 ] mass: 30.973762 - symbol: P # 6 coordinates: [ 0.932573080000000, 0.725066940000000, 0.135095370000000 ] mass: 30.973762 - symbol: P # 7 coordinates: [ 0.807704330000000, 0.945505990000000, 0.249850530000000 ] mass: 30.973762 - symbol: P # 8 coordinates: [ 0.192295670000000, 0.445505990000000, 0.250149470000000 ] mass: 30.973762 - symbol: P # 9 coordinates: [ 0.192295670000000, 0.054494010000000, 0.750149470000000 ] mass: 30.973762 - symbol: P # 10 coordinates: [ 0.807704330000000, 0.554494010000000, 0.749850530000000 ] mass: 30.973762 - symbol: P # 11 coordinates: [ 0.656825310000000, 0.106707480000000, 0.853087320000000 ] mass: 30.973762 - symbol: P # 12 coordinates: [ 0.343174690000000, 0.606707480000000, 0.646912680000000 ] mass: 30.973762 - symbol: P # 13 coordinates: [ 0.343174690000000, 0.893292520000000, 0.146912680000000 ] mass: 30.973762 - symbol: P # 14 coordinates: [ 0.656825310000000, 0.393292520000000, 0.353087320000000 ] mass: 30.973762 - symbol: P # 15 coordinates: [ 0.738376430000000, 0.887906930000000, 0.805856100000000 ] mass: 30.973762 - symbol: P # 16 coordinates: [ 0.261623570000000, 0.387906930000000, 0.694143900000000 ] mass: 30.973762 - symbol: P # 17 coordinates: [ 0.261623570000000, 0.112093070000000, 0.194143900000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.738376430000000, 0.612093070000000, 0.305856100000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.633225240000000, 0.443616010000000, 0.930490610000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.366774760000000, 0.943616010000000, 0.569509390000000 ] mass: 30.973762 - symbol: P # 21 coordinates: [ 0.366774760000000, 0.556383990000000, 0.069509390000000 ] mass: 30.973762 - symbol: P # 22 coordinates: [ 0.633225240000000, 0.056383990000000, 0.430490610000000 ] mass: 30.973762 - symbol: P # 23 coordinates: [ 0.067426920000000, 0.274933060000000, 0.864904630000000 ] mass: 30.973762 - symbol: P # 24 coordinates: [ 0.932573080000000, 0.774933060000000, 0.635095370000000 ] mass: 30.973762 - symbol: Fe # 25 coordinates: [ 0.858391320000000, 0.329587500000000, 0.118431570000000 ] mass: 55.845000 - symbol: Fe # 26 coordinates: [ 0.141608680000000, 0.829587500000000, 0.381568430000000 ] mass: 55.845000 - symbol: Fe # 27 coordinates: [ 0.141608680000000, 0.670412500000000, 0.881568430000000 ] mass: 55.845000 - symbol: Fe # 28 coordinates: [ 0.858391320000000, 0.170412500000000, 0.618431570000000 ] mass: 55.845000 - symbol: Fe # 29 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 55.845000 - symbol: Fe # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 55.845000 reciprocal_lattice: # without 2pi - [ 0.218883348934915, 0.000000000000000, 0.044430052772010 ] # a* - [ 0.000000000000000, 0.073838054016103, 0.000000000000000 ] # b* - [ -0.000060314082963, 0.000000000000000, 0.147119143706978 ] # c*unit_cell: lattice: - [ 4.568263390000000, 0.000000000000000, 0.001872840000000 ] # a - [ 0.000000000000000, 13.543152149999999, 0.000000000000000 ] # b - [ -1.379617760000000, 0.000000000000000, 6.796646340000000 ] # c points: - symbol: P # 1 coordinates: [ 0.507538840000000, 0.220102980000000, 0.032265060000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 2 coordinates: [ 0.492461160000000, 0.720102980000000, 0.467734940000000 ] mass: 30.973762 reduced_to: 2 - symbol: P # 3 coordinates: [ 0.492461160000000, 0.779897020000000, 0.967734940000000 ] mass: 30.973762 reduced_to: 3 - symbol: P # 4 coordinates: [ 0.507538840000000, 0.279897020000000, 0.532265060000000 ] mass: 30.973762 reduced_to: 4 - symbol: P # 5 coordinates: [ 0.067426920000000, 0.225066940000000, 0.364904630000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 6 coordinates: [ 0.932573080000000, 0.725066940000000, 0.135095370000000 ] mass: 30.973762 reduced_to: 6 - symbol: P # 7 coordinates: [ 0.807704330000000, 0.945505990000000, 0.249850530000000 ] mass: 30.973762 reduced_to: 7 - symbol: P # 8 coordinates: [ 0.192295670000000, 0.445505990000000, 0.250149470000000 ] mass: 30.973762 reduced_to: 8 - symbol: P # 9 coordinates: [ 0.192295670000000, 0.054494010000000, 0.750149470000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 10 coordinates: [ 0.807704330000000, 0.554494010000000, 0.749850530000000 ] mass: 30.973762 reduced_to: 10 - symbol: P # 11 coordinates: [ 0.656825310000000, 0.106707480000000, 0.853087320000000 ] mass: 30.973762 reduced_to: 11 - symbol: P # 12 coordinates: [ 0.343174690000000, 0.606707480000000, 0.646912680000000 ] mass: 30.973762 reduced_to: 12 - symbol: P # 13 coordinates: [ 0.343174690000000, 0.893292520000000, 0.146912680000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 14 coordinates: [ 0.656825310000000, 0.393292520000000, 0.353087320000000 ] mass: 30.973762 reduced_to: 14 - symbol: P # 15 coordinates: [ 0.738376430000000, 0.887906930000000, 0.805856100000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 16 coordinates: [ 0.261623570000000, 0.387906930000000, 0.694143900000000 ] mass: 30.973762 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.261623570000000, 0.112093070000000, 0.194143900000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.738376430000000, 0.612093070000000, 0.305856100000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.633225240000000, 0.443616010000000, 0.930490610000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.366774760000000, 0.943616010000000, 0.569509390000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.366774760000000, 0.556383990000000, 0.069509390000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.633225240000000, 0.056383990000000, 0.430490610000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.067426920000000, 0.274933060000000, 0.864904630000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.932573080000000, 0.774933060000000, 0.635095370000000 ] mass: 30.973762 reduced_to: 24 - symbol: Fe # 25 coordinates: [ 0.858391320000000, 0.329587500000000, 0.118431570000000 ] mass: 55.845000 reduced_to: 25 - symbol: Fe # 26 coordinates: [ 0.141608680000000, 0.829587500000000, 0.381568430000000 ] mass: 55.845000 reduced_to: 26 - symbol: Fe # 27 coordinates: [ 0.141608680000000, 0.670412500000000, 0.881568430000000 ] mass: 55.845000 reduced_to: 27 - symbol: Fe # 28 coordinates: [ 0.858391320000000, 0.170412500000000, 0.618431570000000 ] mass: 55.845000 reduced_to: 28 - symbol: Fe # 29 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 55.845000 reduced_to: 29 - symbol: Fe # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 55.845000 reduced_to: 30supercell: lattice: - [ 9.136526780000001, 0.000000000000000, 0.003745680000000 ] # a - [ 0.000000000000000, 13.543152149999999, 0.000000000000000 ] # b - [ -2.759235520000000, 0.000000000000000, 13.593292679999999 ] # c points: - symbol: P # 1 coordinates: [ 0.253769420000000, 0.220102980000000, 0.016132530000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 2 coordinates: [ 0.753769420000000, 0.220102980000000, 0.016132530000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 3 coordinates: [ 0.253769420000000, 0.220102980000000, 0.516132530000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 4 coordinates: [ 0.753769420000000, 0.220102980000000, 0.516132530000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 5 coordinates: [ 0.246230580000000, 0.720102980000000, 0.233867470000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 6 coordinates: [ 0.746230580000000, 0.720102980000000, 0.233867470000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 7 coordinates: [ 0.246230580000000, 0.720102980000000, 0.733867470000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 8 coordinates: [ 0.746230580000000, 0.720102980000000, 0.733867470000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 9 coordinates: [ 0.246230580000000, 0.779897020000000, 0.483867470000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 10 coordinates: [ 0.746230580000000, 0.779897020000000, 0.483867470000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 11 coordinates: [ 0.246230580000000, 0.779897020000000, 0.983867470000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 12 coordinates: [ 0.746230580000000, 0.779897020000000, 0.983867470000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 13 coordinates: [ 0.253769420000000, 0.279897020000000, 0.266132530000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 14 coordinates: [ 0.753769420000000, 0.279897020000000, 0.266132530000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 15 coordinates: [ 0.253769420000000, 0.279897020000000, 0.766132530000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 16 coordinates: [ 0.753769420000000, 0.279897020000000, 0.766132530000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 17 coordinates: [ 0.033713460000000, 0.225066940000000, 0.182452315000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.533713460000000, 0.225066940000000, 0.182452315000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 19 coordinates: [ 0.033713460000000, 0.225066940000000, 0.682452315000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 20 coordinates: [ 0.533713460000000, 0.225066940000000, 0.682452315000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 21 coordinates: [ 0.466286540000000, 0.725066940000000, 0.067547685000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.966286540000000, 0.725066940000000, 0.067547685000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 23 coordinates: [ 0.466286540000000, 0.725066940000000, 0.567547685000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 24 coordinates: [ 0.966286540000000, 0.725066940000000, 0.567547685000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 25 coordinates: [ 0.403852165000000, 0.945505990000000, 0.124925265000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.903852165000000, 0.945505990000000, 0.124925265000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 27 coordinates: [ 0.403852165000000, 0.945505990000000, 0.624925265000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 28 coordinates: [ 0.903852165000000, 0.945505990000000, 0.624925265000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 29 coordinates: [ 0.096147835000000, 0.445505990000000, 0.125074735000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.596147835000000, 0.445505990000000, 0.125074735000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 31 coordinates: [ 0.096147835000000, 0.445505990000000, 0.625074735000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 32 coordinates: [ 0.596147835000000, 0.445505990000000, 0.625074735000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 33 coordinates: [ 0.096147835000000, 0.054494010000000, 0.375074735000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.596147835000000, 0.054494010000000, 0.375074735000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 35 coordinates: [ 0.096147835000000, 0.054494010000000, 0.875074735000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 36 coordinates: [ 0.596147835000000, 0.054494010000000, 0.875074735000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 37 coordinates: [ 0.403852165000000, 0.554494010000000, 0.374925265000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.903852165000000, 0.554494010000000, 0.374925265000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 39 coordinates: [ 0.403852165000000, 0.554494010000000, 0.874925265000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 40 coordinates: [ 0.903852165000000, 0.554494010000000, 0.874925265000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 41 coordinates: [ 0.328412655000000, 0.106707480000000, 0.426543660000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 42 coordinates: [ 0.828412655000000, 0.106707480000000, 0.426543660000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 43 coordinates: [ 0.328412655000000, 0.106707480000000, 0.926543660000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 44 coordinates: [ 0.828412655000000, 0.106707480000000, 0.926543660000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 45 coordinates: [ 0.171587345000000, 0.606707480000000, 0.323456340000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 46 coordinates: [ 0.671587345000000, 0.606707480000000, 0.323456340000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 47 coordinates: [ 0.171587345000000, 0.606707480000000, 0.823456340000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 48 coordinates: [ 0.671587345000000, 0.606707480000000, 0.823456340000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 49 coordinates: [ 0.171587345000000, 0.893292520000000, 0.073456340000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 50 coordinates: [ 0.671587345000000, 0.893292520000000, 0.073456340000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 51 coordinates: [ 0.171587345000000, 0.893292520000000, 0.573456340000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 52 coordinates: [ 0.671587345000000, 0.893292520000000, 0.573456340000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 53 coordinates: [ 0.328412655000000, 0.393292520000000, 0.176543660000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 54 coordinates: [ 0.828412655000000, 0.393292520000000, 0.176543660000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 55 coordinates: [ 0.328412655000000, 0.393292520000000, 0.676543660000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 56 coordinates: [ 0.828412655000000, 0.393292520000000, 0.676543660000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 57 coordinates: [ 0.369188215000000, 0.887906930000000, 0.402928050000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 58 coordinates: [ 0.869188215000000, 0.887906930000000, 0.402928050000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 59 coordinates: [ 0.369188215000000, 0.887906930000000, 0.902928050000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 60 coordinates: [ 0.869188215000000, 0.887906930000000, 0.902928050000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 61 coordinates: [ 0.130811785000000, 0.387906930000000, 0.347071950000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 62 coordinates: [ 0.630811785000000, 0.387906930000000, 0.347071950000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 63 coordinates: [ 0.130811785000000, 0.387906930000000, 0.847071950000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 64 coordinates: [ 0.630811785000000, 0.387906930000000, 0.847071950000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 65 coordinates: [ 0.130811785000000, 0.112093070000000, 0.097071950000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 66 coordinates: [ 0.630811785000000, 0.112093070000000, 0.097071950000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 67 coordinates: [ 0.130811785000000, 0.112093070000000, 0.597071950000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 68 coordinates: [ 0.630811785000000, 0.112093070000000, 0.597071950000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 69 coordinates: [ 0.369188215000000, 0.612093070000000, 0.152928050000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 70 coordinates: [ 0.869188215000000, 0.612093070000000, 0.152928050000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 71 coordinates: [ 0.369188215000000, 0.612093070000000, 0.652928050000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 72 coordinates: [ 0.869188215000000, 0.612093070000000, 0.652928050000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 73 coordinates: [ 0.316612620000000, 0.443616010000000, 0.465245305000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 74 coordinates: [ 0.816612620000000, 0.443616010000000, 0.465245305000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 75 coordinates: [ 0.316612620000000, 0.443616010000000, 0.965245305000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 76 coordinates: [ 0.816612620000000, 0.443616010000000, 0.965245305000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 77 coordinates: [ 0.183387380000000, 0.943616010000000, 0.284754695000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 78 coordinates: [ 0.683387380000000, 0.943616010000000, 0.284754695000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 79 coordinates: [ 0.183387380000000, 0.943616010000000, 0.784754695000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 80 coordinates: [ 0.683387380000000, 0.943616010000000, 0.784754695000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 81 coordinates: [ 0.183387380000000, 0.556383990000000, 0.034754695000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 82 coordinates: [ 0.683387380000000, 0.556383990000000, 0.034754695000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 83 coordinates: [ 0.183387380000000, 0.556383990000000, 0.534754695000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 84 coordinates: [ 0.683387380000000, 0.556383990000000, 0.534754695000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 85 coordinates: [ 0.316612620000000, 0.056383990000000, 0.215245305000000 ] mass: 30.973762 reduced_to: 85 - symbol: P # 86 coordinates: [ 0.816612620000000, 0.056383990000000, 0.215245305000000 ] mass: 30.973762 reduced_to: 85 - symbol: P # 87 coordinates: [ 0.316612620000000, 0.056383990000000, 0.715245305000000 ] mass: 30.973762 reduced_to: 85 - symbol: P # 88 coordinates: [ 0.816612620000000, 0.056383990000000, 0.715245305000000 ] mass: 30.973762 reduced_to: 85 - symbol: P # 89 coordinates: [ 0.033713460000000, 0.274933060000000, 0.432452315000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 90 coordinates: [ 0.533713460000000, 0.274933060000000, 0.432452315000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 91 coordinates: [ 0.033713460000000, 0.274933060000000, 0.932452315000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 92 coordinates: [ 0.533713460000000, 0.274933060000000, 0.932452315000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 93 coordinates: [ 0.466286540000000, 0.774933060000000, 0.317547685000000 ] mass: 30.973762 reduced_to: 93 - symbol: P # 94 coordinates: [ 0.966286540000000, 0.774933060000000, 0.317547685000000 ] mass: 30.973762 reduced_to: 93 - symbol: P # 95 coordinates: [ 0.466286540000000, 0.774933060000000, 0.817547685000000 ] mass: 30.973762 reduced_to: 93 - symbol: P # 96 coordinates: [ 0.966286540000000, 0.774933060000000, 0.817547685000000 ] mass: 30.973762 reduced_to: 93 - symbol: Fe # 97 coordinates: [ 0.429195660000000, 0.329587500000000, 0.059215785000000 ] mass: 55.845000 reduced_to: 97 - symbol: Fe # 98 coordinates: [ 0.929195660000000, 0.329587500000000, 0.059215785000000 ] mass: 55.845000 reduced_to: 97 - symbol: Fe # 99 coordinates: [ 0.429195660000000, 0.329587500000000, 0.559215785000000 ] mass: 55.845000 reduced_to: 97 - symbol: Fe # 100 coordinates: [ 0.929195660000000, 0.329587500000000, 0.559215785000000 ] mass: 55.845000 reduced_to: 97 - symbol: Fe # 101 coordinates: [ 0.070804340000000, 0.829587500000000, 0.190784215000000 ] mass: 55.845000 reduced_to: 101 - symbol: Fe # 102 coordinates: [ 0.570804340000000, 0.829587500000000, 0.190784215000000 ] mass: 55.845000 reduced_to: 101 - symbol: Fe # 103 coordinates: [ 0.070804340000000, 0.829587500000000, 0.690784215000000 ] mass: 55.845000 reduced_to: 101 - symbol: Fe # 104 coordinates: [ 0.570804340000000, 0.829587500000000, 0.690784215000000 ] mass: 55.845000 reduced_to: 101 - symbol: Fe # 105 coordinates: [ 0.070804340000000, 0.670412500000000, 0.440784215000000 ] mass: 55.845000 reduced_to: 105 - symbol: Fe # 106 coordinates: [ 0.570804340000000, 0.670412500000000, 0.440784215000000 ] mass: 55.845000 reduced_to: 105 - symbol: Fe # 107 coordinates: [ 0.070804340000000, 0.670412500000000, 0.940784215000000 ] mass: 55.845000 reduced_to: 105 - symbol: Fe # 108 coordinates: [ 0.570804340000000, 0.670412500000000, 0.940784215000000 ] mass: 55.845000 reduced_to: 105 - symbol: Fe # 109 coordinates: [ 0.429195660000000, 0.170412500000000, 0.309215785000000 ] mass: 55.845000 reduced_to: 109 - symbol: Fe # 110 coordinates: [ 0.929195660000000, 0.170412500000000, 0.309215785000000 ] mass: 55.845000 reduced_to: 109 - symbol: Fe # 111 coordinates: [ 0.429195660000000, 0.170412500000000, 0.809215785000000 ] mass: 55.845000 reduced_to: 109 - symbol: Fe # 112 coordinates: [ 0.929195660000000, 0.170412500000000, 0.809215785000000 ] mass: 55.845000 reduced_to: 109 - symbol: Fe # 113 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 55.845000 reduced_to: 113 - symbol: Fe # 114 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 55.845000 reduced_to: 113 - symbol: Fe # 115 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 55.845000 reduced_to: 113 - symbol: Fe # 116 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 55.845000 reduced_to: 113 - symbol: Fe # 117 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 55.845000 reduced_to: 117 - symbol: Fe # 118 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 55.845000 reduced_to: 117 - symbol: Fe # 119 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 55.845000 reduced_to: 117 - symbol: Fe # 120 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 55.845000 reduced_to: 117born_effective_charge:- # 1 (P) - [ 1.251239570000000, 0.123466930000000, -0.211392010000000 ] - [ 0.123394400000000, 1.168780360000000, 0.383675190000000 ] - [ -0.311707830000000, 0.203765550000000, 0.547741660000000 ]- # 2 (P) - [ 1.251239570000000, -0.123466930000000, -0.211392010000000 ] - [ -0.123394400000000, 1.168780360000000, -0.383675190000000 ] - [ -0.311707830000000, -0.203765550000000, 0.547741660000000 ]- # 3 (P) - [ 1.251239570000000, 0.123466930000000, -0.211392010000000 ] - [ 0.123394400000000, 1.168780360000000, 0.383675190000000 ] - [ -0.311707830000000, 0.203765550000000, 0.547741660000000 ]- # 4 (P) - [ 1.251239570000000, -0.123466930000000, -0.211392010000000 ] - [ -0.123394400000000, 1.168780360000000, -0.383675190000000 ] - [ -0.311707830000000, -0.203765550000000, 0.547741660000000 ]- # 5 (P) - [ 2.250013030000000, -0.392520840000000, -0.073600480000000 ] - [ 0.102028910000000, 1.455815300000000, -0.056522050000000 ] - [ 0.069588630000000, -0.219446630000000, 1.722108270000000 ]- # 6 (P) - [ 2.250013030000000, 0.392520840000000, -0.073600480000000 ] - [ -0.102028910000000, 1.455815300000000, 0.056522050000000 ] - [ 0.069588630000000, 0.219446630000000, 1.722108270000000 ]- # 7 (P) - [ 1.795255170000000, -0.393484890000000, -0.009090020000000 ] - [ 0.046043090000000, 1.518010480000000, -0.019283750000000 ] - [ -0.142491730000000, 0.077228710000000, 1.335707940000000 ]- # 8 (P) - [ 1.795255170000000, 0.393484890000000, -0.009090020000000 ] - [ -0.046043090000000, 1.518010480000000, 0.019283750000000 ] - [ -0.142491730000000, -0.077228710000000, 1.335707940000000 ]- # 9 (P) - [ 1.795255170000000, -0.393484890000000, -0.009090020000000 ] - [ 0.046043090000000, 1.518010480000000, -0.019283750000000 ] - [ -0.142491730000000, 0.077228710000000, 1.335707940000000 ]- # 10 (P) - [ 1.795255170000000, 0.393484890000000, -0.009090020000000 ] - [ -0.046043090000000, 1.518010480000000, 0.019283750000000 ] - [ -0.142491730000000, -0.077228710000000, 1.335707940000000 ]- # 11 (P) - [ 1.732959600000000, 0.171475670000000, -0.062145880000000 ] - [ 0.290967700000000, 1.476759080000000, -0.098331570000000 ] - [ 0.379001730000000, -0.030465940000000, 1.733084890000000 ]- # 12 (P) - [ 1.732959600000000, -0.171475670000000, -0.062145880000000 ] - [ -0.290967700000000, 1.476759080000000, 0.098331570000000 ] - [ 0.379001730000000, 0.030465940000000, 1.733084890000000 ]- # 13 (P) - [ 1.732959600000000, 0.171475670000000, -0.062145880000000 ] - [ 0.290967700000000, 1.476759080000000, -0.098331570000000 ] - [ 0.379001730000000, -0.030465940000000, 1.733084890000000 ]- # 14 (P) - [ 1.732959600000000, -0.171475670000000, -0.062145880000000 ] - [ -0.290967700000000, 1.476759080000000, 0.098331570000000 ] - [ 0.379001730000000, 0.030465940000000, 1.733084890000000 ]- # 15 (P) - [ 1.179907460000000, 0.289844770000000, 0.293423010000000 ] - [ -0.156216860000000, 1.629248170000000, 0.034525080000000 ] - [ 0.241024580000000, 0.260288400000000, 1.087951930000000 ]- # 16 (P) - [ 1.179907460000000, -0.289844770000000, 0.293423010000000 ] - [ 0.156216860000000, 1.629248170000000, -0.034525080000000 ] - [ 0.241024580000000, -0.260288400000000, 1.087951930000000 ]- # 17 (P) - [ 1.179907460000000, 0.289844770000000, 0.293423010000000 ] - [ -0.156216860000000, 1.629248170000000, 0.034525080000000 ] - [ 0.241024580000000, 0.260288400000000, 1.087951930000000 ]- # 18 (P) - [ 1.179907460000000, -0.289844770000000, 0.293423010000000 ] - [ 0.156216860000000, 1.629248170000000, -0.034525080000000 ] - [ 0.241024580000000, -0.260288400000000, 1.087951930000000 ]- # 19 (P) - [ 1.179801810000000, -0.542944820000000, 0.333367240000000 ] - [ -0.287266660000000, 1.578725220000000, -0.547203680000000 ] - [ 0.228783640000000, -0.688139850000000, 1.237552280000000 ]- # 20 (P) - [ 1.179801810000000, 0.542944820000000, 0.333367240000000 ] - [ 0.287266660000000, 1.578725220000000, 0.547203680000000 ] - [ 0.228783640000000, 0.688139850000000, 1.237552280000000 ]- # 21 (P) - [ 1.179801810000000, -0.542944820000000, 0.333367240000000 ] - [ -0.287266660000000, 1.578725220000000, -0.547203680000000 ] - [ 0.228783640000000, -0.688139850000000, 1.237552280000000 ]- # 22 (P) - [ 1.179801810000000, 0.542944820000000, 0.333367240000000 ] - [ 0.287266660000000, 1.578725220000000, 0.547203680000000 ] - [ 0.228783640000000, 0.688139850000000, 1.237552280000000 ]- # 23 (P) - [ 2.250013030000000, 0.392520840000000, -0.073600480000000 ] - [ -0.102028910000000, 1.455815300000000, 0.056522050000000 ] - [ 0.069588630000000, 0.219446630000000, 1.722108270000000 ]- # 24 (P) - [ 2.250013030000000, -0.392520840000000, -0.073600480000000 ] - [ 0.102028910000000, 1.455815300000000, -0.056522050000000 ] - [ 0.069588630000000, -0.219446630000000, 1.722108270000000 ]- # 25 (Fe) - [ -6.401834430000000, 0.632690660000000, -0.335374630000000 ] - [ 0.692154170000000, -5.875161050000000, 0.175472530000000 ] - [ -0.393589760000000, 0.238896140000000, -5.192169770000000 ]- # 26 (Fe) - [ -6.401834430000000, -0.632690660000000, -0.335374630000000 ] - [ -0.692154170000000, -5.875161050000000, -0.175472530000000 ] - [ -0.393589760000000, -0.238896140000000, -5.192169770000000 ]- # 27 (Fe) - [ -6.401834430000000, 0.632690660000000, -0.335374630000000 ] - [ 0.692154170000000, -5.875161050000000, 0.175472530000000 ] - [ -0.393589760000000, 0.238896140000000, -5.192169770000000 ]- # 28 (Fe) - [ -6.401834430000000, -0.632690660000000, -0.335374630000000 ] - [ -0.692154170000000, -5.875161050000000, -0.175472530000000 ] - [ -0.393589760000000, -0.238896140000000, -5.192169770000000 ]- # 29 (Fe) - [ -5.974684390000000, 0.667068820000000, 0.129625590000000 ] - [ 0.480649780000000, -5.904355080000000, 0.938512690000000 ] - [ -0.141218550000000, 1.237593620000000, -4.943954380000000 ]- # 30 (Fe) - [ -5.974684390000000, -0.667068820000000, 0.129625590000000 ] - [ -0.480649780000000, -5.904355080000000, -0.938512690000000 ] - [ -0.141218550000000, -1.237593620000000, -4.943954380000000 ]dielectric_constant: - [ 19.375953830000000, 0.000000000000000, 0.122645000000000 ] - [ 0.000000000000000, 20.916586580000001, 0.000000000000000 ] - [ 0.122610250000000, 0.000000000000000, 20.186085660000000 ]displacements:- atom: 1 displacement: [ 0.0099999991596329, 0.0000000000000000, 0.0000040996757033 ] forces: - [ -0.1572940600000000, 0.0004379500000000, -0.0240088500000000 ] - [ 0.0028234100000000, 0.0102047500000000, -0.0175860500000000 ] - [ 0.0010678400000000, 0.0098333600000000, -0.0183259500000000 ] - [ 0.0008920600000000, 0.0098867500000000, -0.0183309500000000 ] - [ -0.0009903300000000, 0.0099876600000000, 0.0184130400000000 ] - [ -0.0009565500000000, 0.0097420800000000, 0.0184972200000000 ] - [ -0.0005017800000000, 0.0094954600000000, 0.0185774100000000 ] - [ -0.0011755700000000, 0.0097240600000000, 0.0183231300000000 ] - [ 0.0001382500000000, -0.0096656800000000, 0.0185013900000000 ] - [ -0.0008689000000000, -0.0095589200000000, 0.0184512800000000 ] - [ -0.0010572900000000, -0.0097196500000000, 0.0184526900000000 ] - [ -0.0009576300000000, -0.0098234700000000, 0.0184272600000000 ] - [ 0.0004527400000000, -0.0105671400000000, -0.0187848500000000 ] - [ 0.0015182600000000, -0.0090026900000000, -0.0180306900000000 ] - [ 0.0004387500000000, -0.0084922800000000, -0.0190289300000000 ] - [ 0.0015077400000000, -0.0100854600000000, -0.0178686800000000 ] - [ 0.0199346500000000, -0.0103407200000000, -0.0044009700000000 ] - [ 0.0186599000000000, -0.0105820300000000, 0.0051414900000000 ] - [ 0.0152437600000000, -0.0101266600000000, -0.0007499800000000 ] - [ 0.0151588200000000, -0.0099798000000000, -0.0007568300000000 ] - [ -0.0152638700000000, -0.0101042600000000, 0.0008098000000000 ] - [ -0.0153462700000000, -0.0102126600000000, 0.0009776800000000 ] - [ -0.0157642900000000, -0.0103832500000000, 0.0009600500000000 ] - [ -0.0152325000000000, -0.0104158500000000, 0.0007876900000000 ] - [ -0.0010792400000000, 0.0149434100000000, 0.0063501400000000 ] - [ -0.0003938400000000, 0.0145330700000000, 0.0056740900000000 ] - [ -0.0005557700000000, 0.0142062400000000, 0.0058603300000000 ] - [ -0.0010573300000000, 0.0146587500000000, 0.0054023700000000 ] - [ 0.0008166100000000, 0.0132670100000000, -0.0064795700000000 ] - [ 0.0067457700000000, 0.0216601700000000, -0.0025321500000000 ] - [ 0.0006054400000000, 0.0144309300000000, -0.0055346700000000 ] - [ 0.0006811300000000, 0.0141873400000000, -0.0057944100000000 ] - [ 0.0009756500000000, -0.0148095100000000, -0.0058288200000000 ] - [ 0.0006334000000000, -0.0142959200000000, -0.0059659600000000 ] - [ -0.0009161100000000, -0.0079585500000000, -0.0012079200000000 ] - [ 0.0010186300000000, -0.0149435400000000, -0.0057292300000000 ] - [ -0.0008045700000000, -0.0142313400000000, 0.0059042600000000 ] - [ -0.0007260100000000, -0.0142699700000000, 0.0058616800000000 ] - [ -0.0001087700000000, -0.0139944400000000, 0.0062810700000000 ] - [ -0.0006604300000000, -0.0147029600000000, 0.0053983400000000 ] - [ -0.0006661700000000, 0.0020965300000000, 0.0005750500000000 ] - [ -0.0005400400000000, 0.0022521600000000, 0.0009957800000000 ] - [ 0.0214229500000000, -0.0254934100000000, -0.0200580900000000 ] - [ -0.0004551000000000, 0.0028284300000000, 0.0000580100000000 ] - [ 0.0004084700000000, 0.0023588900000000, -0.0007133100000000 ] - [ 0.0005710700000000, 0.0025842600000000, -0.0006596100000000 ] - [ 0.0000933100000000, 0.0019670700000000, -0.0008772000000000 ] - [ 0.0006590400000000, 0.0023504900000000, -0.0007326600000000 ] - [ 0.0007174200000000, -0.0016584800000000, -0.0000655500000000 ] - [ 0.0002458900000000, -0.0021673100000000, -0.0006854200000000 ] - [ 0.0005585500000000, -0.0023307600000000, -0.0011656600000000 ] - [ 0.0003197200000000, -0.0023442400000000, -0.0007050300000000 ] - [ -0.0040878900000000, -0.0013312000000000, 0.0020781800000000 ] - [ -0.0009774800000000, -0.0025719300000000, 0.0001270900000000 ] - [ -0.0004404900000000, -0.0027723400000000, 0.0005420500000000 ] - [ 0.0001656100000000, -0.0020889700000000, 0.0016085600000000 ] - [ -0.0099646200000000, 0.0118146300000000, -0.0206632500000000 ] - [ -0.0077299800000000, 0.0123725900000000, -0.0204066200000000 ] - [ -0.0072083400000000, 0.0119064700000000, -0.0201461300000000 ] - [ -0.0084243200000000, 0.0119780800000000, -0.0201105000000000 ] - [ 0.0083831500000000, 0.0126464300000000, 0.0203035800000000 ] - [ 0.0079258000000000, 0.0122883200000000, 0.0204979700000000 ] - [ 0.0021077200000000, 0.0084449000000000, 0.0217802700000000 ] - [ 0.0082375200000000, 0.0133266400000000, 0.0201247800000000 ] - [ 0.0392409600000000, 0.0079538300000000, 0.0125336900000000 ] - [ 0.0089583500000000, -0.0140972900000000, 0.0198574700000000 ] - [ 0.0078490500000000, -0.0121446900000000, 0.0202510500000000 ] - [ 0.0078027300000000, -0.0125702900000000, 0.0202807100000000 ] - [ -0.0079413100000000, -0.0120212900000000, -0.0205011800000000 ] - [ -0.0078849000000000, -0.0122833700000000, -0.0205504500000000 ] - [ -0.0077043200000000, -0.0122982900000000, -0.0203843100000000 ] - [ -0.0078821500000000, -0.0127562200000000, -0.0199993700000000 ] - [ -0.0067740100000000, -0.0053407000000000, -0.0221017400000000 ] - [ -0.0066219200000000, -0.0052675500000000, -0.0220576900000000 ] - [ -0.0094098000000000, -0.0021745300000000, -0.0249195100000000 ] - [ -0.0056252800000000, -0.0063007900000000, -0.0222782200000000 ] - [ 0.0106209400000000, -0.0047357800000000, 0.0237375500000000 ] - [ 0.0064957800000000, -0.0053512600000000, 0.0220842700000000 ] - [ 0.0100005500000000, -0.0044145600000000, 0.0230389900000000 ] - [ 0.0068003300000000, -0.0052624900000000, 0.0220026400000000 ] - [ 0.0067795700000000, 0.0053302800000000, 0.0225212400000000 ] - [ 0.0066108500000000, 0.0054420300000000, 0.0225646000000000 ] - [ 0.0068072500000000, 0.0052662500000000, 0.0223069500000000 ] - [ 0.0068033500000000, 0.0054542300000000, 0.0222193200000000 ] - [ -0.0150954300000000, 0.0017541500000000, -0.0226728400000000 ] - [ -0.0071782300000000, 0.0054841000000000, -0.0216349000000000 ] - [ -0.0063907500000000, 0.0052647300000000, -0.0226789600000000 ] - [ -0.0074072400000000, 0.0053387900000000, -0.0227802600000000 ] - [ 0.0154831800000000, 0.0101461900000000, -0.0009622700000000 ] - [ 0.0152388300000000, 0.0101724200000000, -0.0008103800000000 ] - [ 0.0636193600000000, -0.0029952900000000, 0.0243205000000000 ] - [ 0.0226682000000000, 0.0124234400000000, -0.0052612400000000 ] - [ -0.0154138300000000, 0.0105274100000000, 0.0008328100000000 ] - [ -0.0152372600000000, 0.0102623600000000, 0.0008131100000000 ] - [ -0.0153967400000000, 0.0103052500000000, 0.0007973000000000 ] - [ -0.0156893000000000, 0.0098735600000000, 0.0012021200000000 ] - [ 0.0510611400000000, 0.0119271100000000, 0.0170216200000000 ] - [ 0.0124184000000000, -0.0044735700000000, 0.0071729600000000 ] - [ 0.0126849600000000, -0.0033542200000000, 0.0086186400000000 ] - [ 0.0125119500000000, -0.0039017600000000, 0.0084630100000000 ] - [ -0.0133001900000000, -0.0037809000000000, -0.0093876400000000 ] - [ -0.0123147900000000, -0.0038149600000000, -0.0091045300000000 ] - [ -0.0134825400000000, -0.0025112700000000, -0.0079608100000000 ] - [ -0.0124135300000000, -0.0034476300000000, -0.0087056000000000 ] - [ -0.0127227400000000, 0.0035228700000000, -0.0088483900000000 ] - [ -0.0124720200000000, 0.0032609800000000, -0.0089659600000000 ] - [ -0.0123826700000000, 0.0033775800000000, -0.0086891800000000 ] - [ -0.0128222300000000, 0.0037511900000000, -0.0089028800000000 ] - [ 0.0139726300000000, 0.0054125000000000, 0.0083205200000000 ] - [ 0.0122986400000000, 0.0031461300000000, 0.0086152000000000 ] - [ 0.0144267600000000, 0.0030797100000000, 0.0071565300000000 ] - [ 0.0139354500000000, 0.0034682500000000, 0.0099477600000000 ] - [ -0.0000500900000000, -0.0000362200000000, -0.0001537800000000 ] - [ -0.0001835200000000, -0.0013877500000000, -0.0009079000000000 ] - [ 0.0013863900000000, 0.0032485400000000, -0.0010495900000000 ] - [ -0.0000281300000000, -0.0003086600000000, 0.0001109400000000 ] - [ 0.0009353800000000, 0.0026215000000000, -0.0010758300000000 ] - [ 0.0034396600000000, -0.0025997800000000, -0.0015781200000000 ] - [ -0.0001363400000000, 0.0000570300000000, 0.0003164300000000 ] - [ 0.0001871700000000, 0.0003692700000000, 0.0000063900000000 ]- atom: 1 displacement: [ -0.0099999991596329, 0.0000000000000000, -0.0000040996757033 ] forces: - [ 0.1599965100000000, 0.0183215400000000, -0.0120957300000000 ] - [ -0.0009247500000000, 0.0092912200000000, -0.0192401100000000 ] - [ 0.0008274400000000, 0.0096788900000000, -0.0185120000000000 ] - [ 0.0010032200000000, 0.0096176700000000, -0.0185087600000000 ] - [ -0.0008991300000000, 0.0095189600000000, 0.0184288100000000 ] - [ -0.0009375100000000, 0.0097683700000000, 0.0183391600000000 ] - [ -0.0013906500000000, 0.0100175200000000, 0.0182602200000000 ] - [ -0.0007125000000000, 0.0097833200000000, 0.0185112800000000 ] - [ -0.0020282500000000, -0.0098443100000000, 0.0183392800000000 ] - [ -0.0010269600000000, -0.0099472300000000, 0.0183850700000000 ] - [ -0.0008414900000000, -0.0097905800000000, 0.0183869800000000 ] - [ -0.0009342200000000, -0.0096843300000000, 0.0184120300000000 ] - [ 0.0014457100000000, -0.0089435600000000, -0.0180763600000000 ] - [ 0.0003959500000000, -0.0104999300000000, -0.0188027100000000 ] - [ 0.0014371700000000, -0.0110138700000000, -0.0178098300000000 ] - [ 0.0003828000000000, -0.0094438700000000, -0.0189693400000000 ] - [ 0.0106417700000000, -0.0102782700000000, 0.0027483200000000 ] - [ 0.0119667800000000, -0.0099669900000000, -0.0068007500000000 ] - [ 0.0153874600000000, -0.0104042000000000, -0.0009905300000000 ] - [ 0.0154799600000000, -0.0105492700000000, -0.0010052000000000 ] - [ -0.0153642100000000, -0.0104301200000000, 0.0009372400000000 ] - [ -0.0152841200000000, -0.0103214800000000, 0.0007636500000000 ] - [ -0.0148652400000000, -0.0101541300000000, 0.0007848000000000 ] - [ -0.0153964700000000, -0.0101160400000000, 0.0009562400000000 ] - [ -0.0002801500000000, 0.0136666400000000, 0.0052836700000000 ] - [ -0.0009535100000000, 0.0140658000000000, 0.0059359800000000 ] - [ -0.0007936300000000, 0.0143908200000000, 0.0057616000000000 ] - [ -0.0003008900000000, 0.0139334700000000, 0.0062191500000000 ] - [ 0.0005381600000000, 0.0153488700000000, -0.0051354400000000 ] - [ -0.0053568600000000, 0.0069844400000000, -0.0090557100000000 ] - [ 0.0007453600000000, 0.0141652300000000, -0.0060941900000000 ] - [ 0.0006653300000000, 0.0144047600000000, -0.0058328200000000 ] - [ 0.0003739500000000, -0.0137870200000000, -0.0058045100000000 ] - [ 0.0007188600000000, -0.0143047600000000, -0.0056529500000000 ] - [ 0.0022278000000000, -0.0205820100000000, -0.0103665600000000 ] - [ 0.0003109400000000, -0.0136553100000000, -0.0058919100000000 ] - [ -0.0005415200000000, -0.0143630900000000, 0.0057227000000000 ] - [ -0.0006242900000000, -0.0143266700000000, 0.0057666200000000 ] - [ -0.0012365600000000, -0.0145992700000000, 0.0053422900000000 ] - [ -0.0006876600000000, -0.0138907700000000, 0.0062307100000000 ] - [ -0.0002514700000000, 0.0024695200000000, 0.0009386800000000 ] - [ -0.0003781700000000, 0.0023210300000000, 0.0005197800000000 ] - [ -0.0222196100000000, 0.0295812600000000, 0.0212653600000000 ] - [ -0.0004498000000000, 0.0017493500000000, 0.0014619600000000 ] - [ 0.0005089200000000, 0.0022192200000000, -0.0008019800000000 ] - [ 0.0003448900000000, 0.0019907800000000, -0.0008515000000000 ] - [ 0.0008208700000000, 0.0026092200000000, -0.0006329400000000 ] - [ 0.0002570600000000, 0.0022230900000000, -0.0007826700000000 ] - [ 0.0001934800000000, -0.0028912900000000, -0.0014518300000000 ] - [ 0.0006852600000000, -0.0024168900000000, -0.0008268300000000 ] - [ 0.0003531800000000, -0.0022454400000000, -0.0003487500000000 ] - [ 0.0006032200000000, -0.0022333600000000, -0.0008116600000000 ] - [ 0.0031169300000000, -0.0032610700000000, -0.0005572100000000 ] - [ 0.0000539000000000, -0.0020011600000000, 0.0013930500000000 ] - [ -0.0004777700000000, -0.0018006500000000, 0.0009714900000000 ] - [ -0.0010848400000000, -0.0024813900000000, -0.0000964200000000 ] - [ -0.0057145900000000, 0.0129175600000000, -0.0200416800000000 ] - [ -0.0079395200000000, 0.0123620900000000, -0.0203013300000000 ] - [ -0.0084598300000000, 0.0128281100000000, -0.0205624000000000 ] - [ -0.0072302900000000, 0.0127651100000000, -0.0206056200000000 ] - [ 0.0072897700000000, 0.0120816300000000, 0.0204036300000000 ] - [ 0.0077395200000000, 0.0124492700000000, 0.0202105100000000 ] - [ 0.0135503000000000, 0.0162504800000000, 0.0189471000000000 ] - [ 0.0074400800000000, 0.0114348200000000, 0.0205730400000000 ] - [ -0.0240918200000000, -0.0333971000000000, 0.0285913600000000 ] - [ 0.0067475800000000, -0.0106651900000000, 0.0208649500000000 ] - [ 0.0078199600000000, -0.0125894100000000, 0.0204570400000000 ] - [ 0.0078652400000000, -0.0121670200000000, 0.0204255900000000 ] - [ -0.0077318800000000, -0.0127051800000000, -0.0202056400000000 ] - [ -0.0077841300000000, -0.0124495100000000, -0.0201595100000000 ] - [ -0.0079637400000000, -0.0124369200000000, -0.0203223000000000 ] - [ -0.0077904300000000, -0.0119705700000000, -0.0207129400000000 ] - [ -0.0066979900000000, -0.0052444800000000, -0.0223099700000000 ] - [ -0.0068513300000000, -0.0053120700000000, -0.0223553700000000 ] - [ -0.0041060600000000, -0.0083574000000000, -0.0194990900000000 ] - [ -0.0078488100000000, -0.0042714200000000, -0.0221437600000000 ] - [ 0.0028679300000000, -0.0058402400000000, 0.0206819200000000 ] - [ 0.0069794900000000, -0.0052289800000000, 0.0223269500000000 ] - [ 0.0035031000000000, -0.0061571800000000, 0.0213799700000000 ] - [ 0.0066779000000000, -0.0053277700000000, 0.0224026400000000 ] - [ 0.0066950700000000, 0.0052570500000000, 0.0218880300000000 ] - [ 0.0068633500000000, 0.0051475100000000, 0.0218403200000000 ] - [ 0.0066675300000000, 0.0053162200000000, 0.0221026700000000 ] - [ 0.0066695600000000, 0.0051321900000000, 0.0221886400000000 ] - [ 0.0016176600000000, 0.0088525000000000, -0.0217646700000000 ] - [ -0.0062914500000000, 0.0051095900000000, -0.0227669600000000 ] - [ -0.0070892400000000, 0.0053081700000000, -0.0217409600000000 ] - [ -0.0060507700000000, 0.0052318300000000, -0.0216236900000000 ] - [ 0.0151462600000000, 0.0103867400000000, -0.0007841600000000 ] - [ 0.0153901200000000, 0.0103653800000000, -0.0009357700000000 ] - [ -0.0346265500000000, 0.0242573500000000, -0.0274447000000000 ] - [ 0.0080866500000000, 0.0081636100000000, 0.0034309400000000 ] - [ -0.0152173600000000, 0.0100076700000000, 0.0009163800000000 ] - [ -0.0153941400000000, 0.0102696100000000, 0.0009377200000000 ] - [ -0.0152344800000000, 0.0102289100000000, 0.0009467000000000 ] - [ -0.0149521900000000, 0.0106570200000000, 0.0005447300000000 ] - [ -0.0245151900000000, -0.0178307100000000, 0.0011790500000000 ] - [ 0.0128940700000000, -0.0026676300000000, 0.0106486000000000 ] - [ 0.0125757600000000, -0.0037895700000000, 0.0091456600000000 ] - [ 0.0127542300000000, -0.0032467300000000, 0.0092998500000000 ] - [ -0.0119700500000000, -0.0033724800000000, -0.0083695800000000 ] - [ -0.0129519200000000, -0.0033413200000000, -0.0086555600000000 ] - [ -0.0117924400000000, -0.0046322300000000, -0.0098132500000000 ] - [ -0.0128610600000000, -0.0037012000000000, -0.0090617800000000 ] - [ -0.0125456900000000, 0.0036240300000000, -0.0089163300000000 ] - [ -0.0127849400000000, 0.0038696100000000, -0.0088120300000000 ] - [ -0.0128763400000000, 0.0037662400000000, -0.0090664400000000 ] - [ -0.0124481900000000, 0.0033878100000000, -0.0088524600000000 ] - [ 0.0112903100000000, 0.0017346100000000, 0.0094432100000000 ] - [ 0.0129296600000000, 0.0040255300000000, 0.0091701100000000 ] - [ 0.0108715000000000, 0.0040897200000000, 0.0105980200000000 ] - [ 0.0112385600000000, 0.0036847800000000, 0.0077156900000000 ] - [ 0.0000386100000000, 0.0000301100000000, 0.0001500600000000 ] - [ 0.0001856500000000, 0.0013632600000000, 0.0008720800000000 ] - [ -0.0013739300000000, -0.0032436700000000, 0.0010672500000000 ] - [ 0.0000299300000000, 0.0002984900000000, -0.0001080000000000 ] - [ -0.0010152300000000, -0.0027446700000000, 0.0010926500000000 ] - [ -0.0034145400000000, 0.0025677300000000, 0.0015591300000000 ] - [ 0.0001384900000000, -0.0000597200000000, -0.0003153300000000 ] - [ -0.0001883200000000, -0.0003646000000000, -0.0000098400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0086659700000000, -0.1568905600000000, -0.0504033600000000 ] - [ 0.0014081500000000, 0.0104002400000000, -0.0176884600000000 ] - [ 0.0010359100000000, 0.0098752200000000, -0.0182158500000000 ] - [ 0.0010907400000000, 0.0092957700000000, -0.0185535900000000 ] - [ -0.0011851200000000, 0.0099366400000000, 0.0184325500000000 ] - [ -0.0009416500000000, 0.0098282100000000, 0.0183166500000000 ] - [ -0.0006932400000000, 0.0098754100000000, 0.0183747200000000 ] - [ -0.0009228200000000, 0.0096170400000000, 0.0182916900000000 ] - [ -0.0008616900000000, -0.0097263900000000, 0.0185371400000000 ] - [ -0.0007573100000000, -0.0097759600000000, 0.0184264600000000 ] - [ -0.0009236400000000, -0.0095944800000000, 0.0183972600000000 ] - [ -0.0010219500000000, -0.0095547200000000, 0.0186386800000000 ] - [ -0.0003126700000000, -0.0117877000000000, -0.0182338500000000 ] - [ 0.0012658600000000, -0.0092240900000000, -0.0183758700000000 ] - [ 0.0017700700000000, -0.0117810400000000, -0.0172150200000000 ] - [ 0.0002004600000000, -0.0092113700000000, -0.0197959300000000 ] - [ 0.0130569900000000, -0.0170855500000000, 0.0017084300000000 ] - [ 0.0163978800000000, -0.0133651200000000, -0.0000016500000000 ] - [ 0.0153732500000000, -0.0099962000000000, -0.0014424900000000 ] - [ 0.0153028300000000, -0.0099845900000000, -0.0002669800000000 ] - [ -0.0152074800000000, -0.0100273400000000, 0.0009970400000000 ] - [ -0.0153076700000000, -0.0102084300000000, 0.0009687700000000 ] - [ -0.0155198700000000, -0.0103178500000000, 0.0009175400000000 ] - [ -0.0153231900000000, -0.0103234400000000, 0.0008868200000000 ] - [ -0.0005792000000000, 0.0146255100000000, 0.0060244500000000 ] - [ -0.0008244000000000, 0.0145782100000000, 0.0060129900000000 ] - [ -0.0008255800000000, 0.0144485700000000, 0.0056811400000000 ] - [ 0.0000741500000000, 0.0143606100000000, 0.0058035500000000 ] - [ -0.0001838000000000, 0.0147534200000000, -0.0060226500000000 ] - [ 0.0079841300000000, 0.0202054800000000, -0.0028968700000000 ] - [ 0.0006491500000000, 0.0144311400000000, -0.0058718400000000 ] - [ 0.0007156600000000, 0.0140883200000000, -0.0059661100000000 ] - [ 0.0005732700000000, -0.0140490000000000, -0.0064718000000000 ] - [ 0.0008076100000000, -0.0144541800000000, -0.0054925300000000 ] - [ 0.0054012500000000, -0.0091642100000000, -0.0018393600000000 ] - [ -0.0009525200000000, -0.0133876900000000, -0.0056729900000000 ] - [ -0.0007324600000000, -0.0141249200000000, 0.0061763700000000 ] - [ -0.0006951000000000, -0.0141177200000000, 0.0058948100000000 ] - [ -0.0000239300000000, -0.0137907700000000, 0.0054326000000000 ] - [ -0.0006604900000000, -0.0147463500000000, 0.0056819900000000 ] - [ -0.0003315700000000, 0.0018939600000000, 0.0008290800000000 ] - [ -0.0005387400000000, 0.0022654700000000, 0.0005764900000000 ] - [ -0.0265785300000000, 0.0578368500000000, 0.0371626200000000 ] - [ -0.0012093900000000, 0.0013822400000000, 0.0005498200000000 ] - [ 0.0004472900000000, 0.0024983400000000, -0.0006917800000000 ] - [ 0.0005987900000000, 0.0025478800000000, -0.0006260700000000 ] - [ 0.0001409400000000, 0.0020454400000000, -0.0008753400000000 ] - [ 0.0005138600000000, 0.0023347100000000, -0.0007136000000000 ] - [ 0.0006368700000000, -0.0015870600000000, -0.0004268900000000 ] - [ 0.0005499300000000, -0.0025448200000000, -0.0010681100000000 ] - [ 0.0006119900000000, -0.0021866300000000, -0.0007715700000000 ] - [ 0.0002122800000000, -0.0019910200000000, -0.0007195300000000 ] - [ 0.0002861400000000, 0.0025635900000000, 0.0067640400000000 ] - [ -0.0008713300000000, -0.0026187200000000, 0.0008770500000000 ] - [ -0.0004873500000000, -0.0021990100000000, 0.0005882300000000 ] - [ -0.0000586000000000, -0.0025013800000000, 0.0017769300000000 ] - [ -0.0082651400000000, 0.0124412300000000, -0.0204570100000000 ] - [ -0.0078119600000000, 0.0125705000000000, -0.0203467000000000 ] - [ -0.0079406600000000, 0.0134268900000000, -0.0198565700000000 ] - [ -0.0083436600000000, 0.0118730400000000, -0.0199759800000000 ] - [ 0.0084386200000000, 0.0126411700000000, 0.0201500300000000 ] - [ 0.0079449300000000, 0.0121994700000000, 0.0205896300000000 ] - [ 0.0030322600000000, 0.0156288500000000, 0.0162260100000000 ] - [ 0.0077593400000000, 0.0124441900000000, 0.0204487000000000 ] - [ 0.0288695100000000, 0.0218061200000000, 0.0095318300000000 ] - [ 0.0068977800000000, -0.0124385600000000, 0.0193961600000000 ] - [ 0.0079809600000000, -0.0124791500000000, 0.0202723300000000 ] - [ 0.0077263700000000, -0.0117318200000000, 0.0203157900000000 ] - [ -0.0076584400000000, -0.0119944900000000, -0.0203286000000000 ] - [ -0.0079583100000000, -0.0120500100000000, -0.0201094200000000 ] - [ -0.0077682900000000, -0.0123168600000000, -0.0204120100000000 ] - [ -0.0079651800000000, -0.0123633600000000, -0.0204999900000000 ] - [ -0.0066379300000000, -0.0054302000000000, -0.0220368300000000 ] - [ -0.0067208000000000, -0.0054466100000000, -0.0221010600000000 ] - [ -0.0050241700000000, 0.0030114200000000, -0.0261617100000000 ] - [ -0.0070353400000000, -0.0050352400000000, -0.0221895900000000 ] - [ 0.0072171800000000, -0.0052939100000000, 0.0225896100000000 ] - [ 0.0065849100000000, -0.0052962000000000, 0.0220380200000000 ] - [ 0.0070045200000000, -0.0039901600000000, 0.0222883300000000 ] - [ 0.0067105900000000, -0.0051459300000000, 0.0224804200000000 ] - [ 0.0064670400000000, 0.0059845800000000, 0.0228973800000000 ] - [ 0.0065367200000000, 0.0048386800000000, 0.0221756400000000 ] - [ 0.0066714200000000, 0.0054141800000000, 0.0221854400000000 ] - [ 0.0067558300000000, 0.0055334700000000, 0.0223709500000000 ] - [ -0.0082548400000000, 0.0065760300000000, -0.0260525300000000 ] - [ -0.0059550600000000, 0.0061073200000000, -0.0215835200000000 ] - [ -0.0069092000000000, 0.0059915200000000, -0.0202256800000000 ] - [ -0.0074150300000000, 0.0056048800000000, -0.0225335100000000 ] - [ 0.0152229200000000, 0.0096426700000000, -0.0012557300000000 ] - [ 0.0152073800000000, 0.0102614500000000, -0.0007168900000000 ] - [ 0.0056532100000000, 0.0270551200000000, -0.0089246600000000 ] - [ 0.0174022700000000, 0.0068677600000000, -0.0043927500000000 ] - [ -0.0152576800000000, 0.0104429700000000, 0.0008643500000000 ] - [ -0.0151983600000000, 0.0103590900000000, 0.0009488600000000 ] - [ -0.0152672100000000, 0.0102818800000000, 0.0007563000000000 ] - [ -0.0152449600000000, 0.0103461500000000, 0.0009426900000000 ] - [ 0.0266226100000000, 0.0330976500000000, 0.0175030100000000 ] - [ 0.0104596800000000, -0.0014745100000000, 0.0100175000000000 ] - [ 0.0127939000000000, -0.0031504500000000, 0.0084095800000000 ] - [ 0.0127287000000000, -0.0033256400000000, 0.0086366400000000 ] - [ -0.0131463600000000, -0.0042735800000000, -0.0089330900000000 ] - [ -0.0126555600000000, -0.0044307900000000, -0.0087713200000000 ] - [ -0.0129676200000000, -0.0045844300000000, -0.0086445600000000 ] - [ -0.0123875500000000, -0.0034777700000000, -0.0086107600000000 ] - [ -0.0126374900000000, 0.0032173400000000, -0.0090672600000000 ] - [ -0.0125913800000000, 0.0034472900000000, -0.0090241000000000 ] - [ -0.0120331400000000, 0.0025557800000000, -0.0086359800000000 ] - [ -0.0128248700000000, 0.0033302900000000, -0.0087631100000000 ] - [ 0.0129983200000000, 0.0049212500000000, 0.0085834600000000 ] - [ 0.0101528700000000, 0.0060543500000000, 0.0096463600000000 ] - [ 0.0151576000000000, 0.0008038300000000, 0.0052343200000000 ] - [ 0.0161812800000000, 0.0014329700000000, 0.0115363100000000 ] - [ 0.0007480300000000, -0.0004353500000000, -0.0004751300000000 ] - [ -0.0005369100000000, -0.0009464100000000, -0.0007237900000000 ] - [ 0.0020430200000000, 0.0013588000000000, 0.0002145700000000 ] - [ -0.0003395000000000, -0.0000662000000000, 0.0003165700000000 ] - [ 0.0020696500000000, 0.0028049200000000, -0.0006412900000000 ] - [ -0.0011944100000000, 0.0018303500000000, 0.0001507400000000 ] - [ -0.0000714800000000, -0.0002835000000000, 0.0002987000000000 ] - [ 0.0000708900000000, -0.0001143300000000, 0.0000290800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0091870300000000, 0.1773548600000000, 0.0142707400000000 ] - [ 0.0004812200000000, 0.0091087400000000, -0.0191452200000000 ] - [ 0.0008610300000000, 0.0096325500000000, -0.0186225800000000 ] - [ 0.0008078100000000, 0.0102167900000000, -0.0182842500000000 ] - [ -0.0007081700000000, 0.0095727200000000, 0.0184087900000000 ] - [ -0.0009558400000000, 0.0096855300000000, 0.0185170900000000 ] - [ -0.0011976600000000, 0.0096450100000000, 0.0184608200000000 ] - [ -0.0009706700000000, 0.0098908000000000, 0.0185414700000000 ] - [ -0.0010245700000000, -0.0097815600000000, 0.0183005100000000 ] - [ -0.0011327600000000, -0.0097353300000000, 0.0184104400000000 ] - [ -0.0009730900000000, -0.0099160200000000, 0.0184414800000000 ] - [ -0.0008700100000000, -0.0099533900000000, 0.0181968300000000 ] - [ 0.0021971600000000, -0.0077467700000000, -0.0186174300000000 ] - [ 0.0006194000000000, -0.0102917100000000, -0.0184687300000000 ] - [ 0.0001349400000000, -0.0077389900000000, -0.0196076800000000 ] - [ 0.0016854600000000, -0.0102822500000000, -0.0170337100000000 ] - [ 0.0175773500000000, -0.0034340400000000, -0.0034537100000000 ] - [ 0.0142167100000000, -0.0072176500000000, -0.0017446800000000 ] - [ 0.0152528800000000, -0.0105346900000000, -0.0003200900000000 ] - [ 0.0153143000000000, -0.0105529000000000, -0.0014784900000000 ] - [ -0.0154204300000000, -0.0105073000000000, 0.0007502900000000 ] - [ -0.0153201000000000, -0.0103254800000000, 0.0007742900000000 ] - [ -0.0151131800000000, -0.0102209200000000, 0.0008293400000000 ] - [ -0.0153080700000000, -0.0102105600000000, 0.0008582900000000 ] - [ -0.0007784300000000, 0.0139754100000000, 0.0056175700000000 ] - [ -0.0005234400000000, 0.0140222700000000, 0.0056037600000000 ] - [ -0.0005256400000000, 0.0141506900000000, 0.0059366500000000 ] - [ -0.0014049000000000, 0.0142254500000000, 0.0058243700000000 ] - [ 0.0015207200000000, 0.0138793800000000, -0.0055876300000000 ] - [ -0.0066007400000000, 0.0084411500000000, -0.0086855600000000 ] - [ 0.0006939000000000, 0.0141650800000000, -0.0057520400000000 ] - [ 0.0006257200000000, 0.0145069400000000, -0.0056637600000000 ] - [ 0.0007728300000000, -0.0145534500000000, -0.0051576400000000 ] - [ 0.0005391400000000, -0.0141453900000000, -0.0061318700000000 ] - [ -0.0040693300000000, -0.0195634000000000, -0.0098669700000000 ] - [ 0.0022936300000000, -0.0152083000000000, -0.0059484900000000 ] - [ -0.0006095600000000, -0.0144691100000000, 0.0054495600000000 ] - [ -0.0006482100000000, -0.0144776100000000, 0.0057326000000000 ] - [ -0.0013009200000000, -0.0147946200000000, 0.0061801800000000 ] - [ -0.0006850900000000, -0.0138497400000000, 0.0059378900000000 ] - [ -0.0005847000000000, 0.0026727800000000, 0.0006812100000000 ] - [ -0.0003763100000000, 0.0023071800000000, 0.0009359700000000 ] - [ 0.0266816600000000, -0.0546479100000000, -0.0371159500000000 ] - [ 0.0003003800000000, 0.0031735300000000, 0.0009858400000000 ] - [ 0.0004639900000000, 0.0020805200000000, -0.0008209700000000 ] - [ 0.0003092500000000, 0.0020268900000000, -0.0008838200000000 ] - [ 0.0007613900000000, 0.0025189100000000, -0.0006401300000000 ] - [ 0.0004027400000000, 0.0022390500000000, -0.0008042500000000 ] - [ 0.0002781500000000, -0.0029582500000000, -0.0010916500000000 ] - [ 0.0003806000000000, -0.0020332500000000, -0.0004391300000000 ] - [ 0.0002955700000000, -0.0023881600000000, -0.0007317100000000 ] - [ 0.0007027200000000, -0.0025805600000000, -0.0007967600000000 ] - [ -0.0011955000000000, -0.0070993300000000, -0.0051561700000000 ] - [ -0.0000588000000000, -0.0019517600000000, 0.0006591000000000 ] - [ -0.0004248500000000, -0.0023753300000000, 0.0009249600000000 ] - [ -0.0008488300000000, -0.0020709100000000, -0.0002641900000000 ] - [ -0.0074353100000000, 0.0122902700000000, -0.0202536400000000 ] - [ -0.0078579100000000, 0.0121663700000000, -0.0203608600000000 ] - [ -0.0077371200000000, 0.0113171900000000, -0.0208593500000000 ] - [ -0.0073055000000000, 0.0128776200000000, -0.0207301000000000 ] - [ 0.0072328800000000, 0.0120926300000000, 0.0205514800000000 ] - [ 0.0077268600000000, 0.0125379000000000, 0.0201202800000000 ] - [ 0.0125936300000000, 0.0091847800000000, 0.0243919800000000 ] - [ 0.0079103900000000, 0.0122896100000000, 0.0202616200000000 ] - [ -0.0138947500000000, -0.0472883300000000, 0.0317606900000000 ] - [ 0.0087684600000000, -0.0122834500000000, 0.0213157600000000 ] - [ 0.0076916000000000, -0.0122622600000000, 0.0204346200000000 ] - [ 0.0079378200000000, -0.0130109400000000, 0.0203864300000000 ] - [ -0.0080045800000000, -0.0127367200000000, -0.0203735900000000 ] - [ -0.0077092600000000, -0.0126826600000000, -0.0205940600000000 ] - [ -0.0079006000000000, -0.0124185200000000, -0.0202938900000000 ] - [ -0.0077061100000000, -0.0123643900000000, -0.0202115000000000 ] - [ -0.0068307400000000, -0.0051587000000000, -0.0223739300000000 ] - [ -0.0067545900000000, -0.0051346800000000, -0.0223118700000000 ] - [ -0.0083970900000000, -0.0134585000000000, -0.0183160200000000 ] - [ -0.0064351000000000, -0.0055398600000000, -0.0222341300000000 ] - [ 0.0063048700000000, -0.0052816000000000, 0.0218467500000000 ] - [ 0.0068911200000000, -0.0052838600000000, 0.0223747600000000 ] - [ 0.0064196800000000, -0.0066361900000000, 0.0220844600000000 ] - [ 0.0067633600000000, -0.0054443600000000, 0.0219282100000000 ] - [ 0.0069976700000000, 0.0046056900000000, 0.0215255800000000 ] - [ 0.0069332300000000, 0.0057415500000000, 0.0222303200000000 ] - [ 0.0068019700000000, 0.0051737700000000, 0.0222234600000000 ] - [ 0.0067181900000000, 0.0050533900000000, 0.0220403700000000 ] - [ -0.0053146200000000, 0.0039701500000000, -0.0183431300000000 ] - [ -0.0075165800000000, 0.0044765600000000, -0.0228238100000000 ] - [ -0.0065701500000000, 0.0045878400000000, -0.0241771400000000 ] - [ -0.0060563000000000, 0.0049583200000000, -0.0218835200000000 ] - [ 0.0154024600000000, 0.0108866600000000, -0.0004955800000000 ] - [ 0.0154137700000000, 0.0102742900000000, -0.0010318300000000 ] - [ 0.0247551800000000, -0.0064468400000000, 0.0071450900000000 ] - [ 0.0132742400000000, 0.0136425900000000, 0.0026208900000000 ] - [ -0.0153713300000000, 0.0100927700000000, 0.0008844100000000 ] - [ -0.0154294200000000, 0.0101719900000000, 0.0008054600000000 ] - [ -0.0153656300000000, 0.0102513900000000, 0.0009871800000000 ] - [ -0.0153846600000000, 0.0101927200000000, 0.0007932500000000 ] - [ -0.0001641600000000, -0.0390222400000000, 0.0006620800000000 ] - [ 0.0148659200000000, -0.0056992600000000, 0.0077101800000000 ] - [ 0.0124735300000000, -0.0039940700000000, 0.0093635500000000 ] - [ 0.0125403300000000, -0.0038232600000000, 0.0091226300000000 ] - [ -0.0121312800000000, -0.0028792200000000, -0.0088344400000000 ] - [ -0.0126074500000000, -0.0027222900000000, -0.0089952000000000 ] - [ -0.0122809000000000, -0.0025706200000000, -0.0091355700000000 ] - [ -0.0128794000000000, -0.0036682700000000, -0.0091545100000000 ] - [ -0.0126250600000000, 0.0039194000000000, -0.0087060200000000 ] - [ -0.0126694500000000, 0.0036880000000000, -0.0087569400000000 ] - [ -0.0132249200000000, 0.0045709700000000, -0.0091176800000000 ] - [ -0.0124434000000000, 0.0038053900000000, -0.0089874600000000 ] - [ 0.0122839100000000, 0.0022464800000000, 0.0091938800000000 ] - [ 0.0151246200000000, 0.0010887600000000, 0.0081297300000000 ] - [ 0.0101408800000000, 0.0063704500000000, 0.0125067300000000 ] - [ 0.0091687600000000, 0.0057562500000000, 0.0062690500000000 ] - [ -0.0007416300000000, 0.0004287300000000, 0.0004642500000000 ] - [ 0.0005366500000000, 0.0009250000000000, 0.0007042400000000 ] - [ -0.0020272600000000, -0.0013475700000000, -0.0002129400000000 ] - [ 0.0003359000000000, 0.0000559600000000, -0.0003121500000000 ] - [ -0.0021988200000000, -0.0029183500000000, 0.0006148000000000 ] - [ 0.0012358400000000, -0.0019040400000000, -0.0001635800000000 ] - [ 0.0000647100000000, 0.0002912000000000, -0.0002962900000000 ] - [ -0.0000652500000000, 0.0001228100000000, -0.0000282400000000 ]- atom: 1 displacement: [ -0.0019892822674104, 0.0000000000000000, 0.0098001406143262 ] forces: - [ 0.0268080600000000, -0.0190423300000000, -0.1544379700000000 ] - [ 0.0013883000000000, 0.0103782100000000, -0.0175293400000000 ] - [ 0.0010192400000000, 0.0099349000000000, -0.0182875100000000 ] - [ 0.0010490500000000, 0.0095945100000000, -0.0185919000000000 ] - [ -0.0009473700000000, 0.0096991000000000, 0.0183080000000000 ] - [ -0.0008711800000000, 0.0098536600000000, 0.0183468200000000 ] - [ -0.0008844100000000, 0.0098507700000000, 0.0185499900000000 ] - [ -0.0010011800000000, 0.0098859500000000, 0.0187408600000000 ] - [ -0.0010783000000000, -0.0096550500000000, 0.0184439900000000 ] - [ -0.0009322200000000, -0.0097831100000000, 0.0184949100000000 ] - [ -0.0008986400000000, -0.0097849900000000, 0.0182790900000000 ] - [ -0.0009404200000000, -0.0095235200000000, 0.0192255300000000 ] - [ 0.0004427100000000, -0.0107698000000000, -0.0163888800000000 ] - [ 0.0013860000000000, -0.0085523400000000, -0.0180443700000000 ] - [ 0.0007031200000000, -0.0101745200000000, -0.0163823700000000 ] - [ 0.0012152600000000, -0.0097341000000000, -0.0180787700000000 ] - [ 0.0087014600000000, -0.0097289300000000, 0.0031207200000000 ] - [ 0.0207852700000000, -0.0106352900000000, 0.0022881600000000 ] - [ 0.0154893600000000, -0.0103605100000000, -0.0006300700000000 ] - [ 0.0151777700000000, -0.0104946200000000, -0.0010745000000000 ] - [ -0.0152327900000000, -0.0101383600000000, 0.0008771400000000 ] - [ -0.0151578800000000, -0.0103825700000000, 0.0008704300000000 ] - [ -0.0153234200000000, -0.0102778900000000, 0.0008513900000000 ] - [ -0.0152131100000000, -0.0101505600000000, 0.0009356600000000 ] - [ -0.0003799900000000, 0.0148779300000000, 0.0048822100000000 ] - [ -0.0013086300000000, 0.0135262400000000, 0.0064567500000000 ] - [ -0.0006368400000000, 0.0141920500000000, 0.0058518300000000 ] - [ -0.0005556000000000, 0.0142649500000000, 0.0059668200000000 ] - [ 0.0000103200000000, 0.0145183700000000, -0.0069577300000000 ] - [ 0.0010892900000000, 0.0147181300000000, -0.0073175600000000 ] - [ 0.0008812600000000, 0.0142374800000000, -0.0058481900000000 ] - [ 0.0007021100000000, 0.0142606500000000, -0.0058541400000000 ] - [ 0.0007186000000000, -0.0143358200000000, -0.0056914100000000 ] - [ 0.0009305400000000, -0.0144525100000000, -0.0055378400000000 ] - [ 0.0042562900000000, -0.0107603900000000, -0.0036685700000000 ] - [ -0.0004171000000000, -0.0142941700000000, -0.0049172000000000 ] - [ -0.0006253500000000, -0.0140579400000000, 0.0059086100000000 ] - [ -0.0007238800000000, -0.0142062900000000, 0.0057652700000000 ] - [ -0.0005063900000000, -0.0142200400000000, 0.0059143600000000 ] - [ -0.0009361000000000, -0.0141848900000000, 0.0058792500000000 ] - [ -0.0006646400000000, 0.0019681100000000, 0.0010775000000000 ] - [ -0.0004559500000000, 0.0022786200000000, 0.0007971700000000 ] - [ -0.0252212000000000, 0.0426122700000000, 0.0437549400000000 ] - [ -0.0013617800000000, 0.0023166800000000, -0.0003536200000000 ] - [ 0.0004717600000000, 0.0023810100000000, -0.0007815100000000 ] - [ 0.0004510900000000, 0.0024035700000000, -0.0007480400000000 ] - [ 0.0005734600000000, 0.0024238800000000, -0.0008421500000000 ] - [ 0.0005279600000000, 0.0022662100000000, -0.0005566400000000 ] - [ 0.0009378200000000, -0.0032681600000000, -0.0004655400000000 ] - [ 0.0010088700000000, -0.0018528900000000, -0.0011686900000000 ] - [ 0.0003189300000000, -0.0023419400000000, -0.0006008300000000 ] - [ 0.0005028800000000, -0.0022610800000000, -0.0007488400000000 ] - [ 0.0018669000000000, 0.0033991600000000, 0.0037910000000000 ] - [ -0.0006277000000000, -0.0039508400000000, 0.0007522800000000 ] - [ -0.0006067300000000, -0.0025880600000000, 0.0007226200000000 ] - [ -0.0006617600000000, -0.0022881900000000, 0.0004831600000000 ] - [ -0.0075713600000000, 0.0125517600000000, -0.0204204400000000 ] - [ -0.0078913800000000, 0.0124189700000000, -0.0203320600000000 ] - [ -0.0077151800000000, 0.0139264300000000, -0.0200480200000000 ] - [ -0.0083993700000000, 0.0123044500000000, -0.0201989600000000 ] - [ 0.0074673800000000, 0.0128331200000000, 0.0201936500000000 ] - [ 0.0080533000000000, 0.0120527700000000, 0.0204053500000000 ] - [ 0.0109842300000000, 0.0076700700000000, 0.0255103500000000 ] - [ 0.0076041000000000, 0.0121140300000000, 0.0207087200000000 ] - [ -0.0104217800000000, -0.0328932400000000, 0.0446548500000000 ] - [ 0.0069898800000000, -0.0129452700000000, 0.0186808700000000 ] - [ 0.0077811700000000, -0.0123941600000000, 0.0203612800000000 ] - [ 0.0078441300000000, -0.0123007600000000, 0.0204014900000000 ] - [ -0.0078864000000000, -0.0121439400000000, -0.0204441100000000 ] - [ -0.0078882700000000, -0.0121299400000000, -0.0206112600000000 ] - [ -0.0079023000000000, -0.0124035500000000, -0.0203200200000000 ] - [ -0.0076043800000000, -0.0125048300000000, -0.0202597000000000 ] - [ -0.0065695200000000, -0.0055165600000000, -0.0221023700000000 ] - [ -0.0068511400000000, -0.0053164400000000, -0.0220829700000000 ] - [ -0.0067692700000000, -0.0071767300000000, -0.0243476300000000 ] - [ -0.0065101600000000, -0.0057161700000000, -0.0217284300000000 ] - [ 0.0066002300000000, -0.0049882500000000, 0.0221307500000000 ] - [ 0.0067848100000000, -0.0054383100000000, 0.0221138900000000 ] - [ 0.0062223700000000, -0.0054162900000000, 0.0226903100000000 ] - [ 0.0066656100000000, -0.0049879300000000, 0.0221725300000000 ] - [ 0.0070885200000000, 0.0053164300000000, 0.0224880300000000 ] - [ 0.0070393800000000, 0.0056828000000000, 0.0220540600000000 ] - [ 0.0066195300000000, 0.0053758200000000, 0.0221803500000000 ] - [ 0.0067589400000000, 0.0052650500000000, 0.0222558300000000 ] - [ -0.0066173800000000, 0.0030099000000000, -0.0194864300000000 ] - [ -0.0067277300000000, 0.0056879300000000, -0.0220395700000000 ] - [ -0.0069669300000000, 0.0056845700000000, -0.0213282800000000 ] - [ -0.0068223700000000, 0.0053522200000000, -0.0225313600000000 ] - [ 0.0153211000000000, 0.0100204000000000, -0.0009391100000000 ] - [ 0.0153184200000000, 0.0104008700000000, -0.0003476000000000 ] - [ 0.0295547900000000, 0.0028903900000000, 0.0190899600000000 ] - [ 0.0102025900000000, 0.0090176400000000, -0.0012792900000000 ] - [ -0.0152707100000000, 0.0102549400000000, 0.0007430100000000 ] - [ -0.0154143800000000, 0.0103361800000000, 0.0008020300000000 ] - [ -0.0156987100000000, 0.0100265900000000, 0.0008075100000000 ] - [ -0.0146483500000000, 0.0103814700000000, 0.0008456200000000 ] - [ 0.0160132000000000, 0.0054853900000000, 0.0352250000000000 ] - [ 0.0074032300000000, -0.0008635500000000, 0.0091126300000000 ] - [ 0.0125790000000000, -0.0034867300000000, 0.0085429900000000 ] - [ 0.0127209100000000, -0.0033127200000000, 0.0087036700000000 ] - [ -0.0124743300000000, -0.0034670500000000, -0.0088637000000000 ] - [ -0.0128320100000000, -0.0039143700000000, -0.0079602500000000 ] - [ -0.0128131000000000, -0.0039556600000000, -0.0095778000000000 ] - [ -0.0124464400000000, -0.0034470700000000, -0.0089326000000000 ] - [ -0.0126613200000000, 0.0033639700000000, -0.0089495400000000 ] - [ -0.0126518500000000, 0.0035385900000000, -0.0089371500000000 ] - [ -0.0125453500000000, 0.0032769400000000, -0.0087584900000000 ] - [ -0.0127207400000000, 0.0037223900000000, -0.0090525600000000 ] - [ 0.0123519500000000, 0.0046618100000000, 0.0071810300000000 ] - [ 0.0123152800000000, 0.0048469000000000, 0.0085502500000000 ] - [ 0.0103756600000000, 0.0054130800000000, 0.0141254600000000 ] - [ 0.0145441400000000, 0.0030962300000000, 0.0109489900000000 ] - [ 0.0007368600000000, 0.0000197700000000, 0.0006704100000000 ] - [ -0.0002832900000000, -0.0004524000000000, -0.0000204700000000 ] - [ -0.0010804000000000, -0.0000017700000000, -0.0001005000000000 ] - [ 0.0000584400000000, 0.0000000800000000, -0.0001301900000000 ] - [ 0.0038760200000000, 0.0053661500000000, -0.0017123200000000 ] - [ 0.0016078900000000, -0.0038696700000000, -0.0039026000000000 ] - [ -0.0000234800000000, -0.0001169900000000, -0.0001553100000000 ] - [ -0.0000468100000000, 0.0002035400000000, -0.0002820500000000 ]- atom: 1 displacement: [ 0.0019892822674104, 0.0000000000000000, -0.0098001406143262 ] forces: - [ -0.0247740100000000, 0.0407802200000000, 0.1181335300000000 ] - [ 0.0005066300000000, 0.0091275200000000, -0.0193080200000000 ] - [ 0.0008740200000000, 0.0095682900000000, -0.0185542000000000 ] - [ 0.0008434400000000, 0.0099080100000000, -0.0182503200000000 ] - [ -0.0009444900000000, 0.0098090600000000, 0.0185335900000000 ] - [ -0.0010208100000000, 0.0096489500000000, 0.0184947400000000 ] - [ -0.0010098300000000, 0.0096594600000000, 0.0182907700000000 ] - [ -0.0008928500000000, 0.0096241900000000, 0.0180962200000000 ] - [ -0.0008001300000000, -0.0098474200000000, 0.0183995100000000 ] - [ -0.0009596300000000, -0.0097216400000000, 0.0183446700000000 ] - [ -0.0009953900000000, -0.0097223400000000, 0.0185610300000000 ] - [ -0.0009520800000000, -0.0099816600000000, 0.0176131300000000 ] - [ 0.0014303000000000, -0.0087428300000000, -0.0204192200000000 ] - [ 0.0005257300000000, -0.0109549800000000, -0.0187900300000000 ] - [ 0.0011904400000000, -0.0092941000000000, -0.0205145600000000 ] - [ 0.0006751500000000, -0.0097660000000000, -0.0187570200000000 ] - [ 0.0218238600000000, -0.0108452300000000, -0.0047978900000000 ] - [ 0.0098439600000000, -0.0099081700000000, -0.0040312800000000 ] - [ 0.0151408400000000, -0.0101755400000000, -0.0011172100000000 ] - [ 0.0154699100000000, -0.0100423500000000, -0.0006823300000000 ] - [ -0.0153996700000000, -0.0103990200000000, 0.0008699500000000 ] - [ -0.0154724300000000, -0.0101501500000000, 0.0008762600000000 ] - [ -0.0153132900000000, -0.0102590300000000, 0.0008941700000000 ] - [ -0.0154207200000000, -0.0103823400000000, 0.0008076100000000 ] - [ -0.0009869600000000, 0.0137337500000000, 0.0067433100000000 ] - [ -0.0000258000000000, 0.0150808300000000, 0.0051645800000000 ] - [ -0.0007100200000000, 0.0144072600000000, 0.0057671900000000 ] - [ -0.0007951900000000, 0.0143274400000000, 0.0056602900000000 ] - [ 0.0013395800000000, 0.0140925600000000, -0.0046671300000000 ] - [ 0.0001926000000000, 0.0138222400000000, -0.0043193200000000 ] - [ 0.0004700800000000, 0.0143634600000000, -0.0057767000000000 ] - [ 0.0006445000000000, 0.0143373300000000, -0.0057712900000000 ] - [ 0.0006371800000000, -0.0142652900000000, -0.0059471200000000 ] - [ 0.0004179100000000, -0.0141460500000000, -0.0060820900000000 ] - [ -0.0029795000000000, -0.0179005500000000, -0.0079616400000000 ] - [ 0.0017698800000000, -0.0143099800000000, -0.0067114100000000 ] - [ -0.0007206500000000, -0.0145401800000000, 0.0057139700000000 ] - [ -0.0006274900000000, -0.0143920000000000, 0.0058596100000000 ] - [ -0.0008467600000000, -0.0143817700000000, 0.0057098100000000 ] - [ -0.0004165700000000, -0.0144155400000000, 0.0057480900000000 ] - [ -0.0002552700000000, 0.0026021100000000, 0.0004356800000000 ] - [ -0.0004707800000000, 0.0022933300000000, 0.0007163300000000 ] - [ 0.0250378900000000, -0.0395992700000000, -0.0428152000000000 ] - [ 0.0004539900000000, 0.0022528700000000, 0.0018795800000000 ] - [ 0.0004467000000000, 0.0021933100000000, -0.0007366200000000 ] - [ 0.0004638800000000, 0.0021694600000000, -0.0007701900000000 ] - [ 0.0003493500000000, 0.0021487300000000, -0.0006777600000000 ] - [ 0.0003879300000000, 0.0023047400000000, -0.0009641200000000 ] - [ -0.0000252400000000, -0.0012788200000000, -0.0010424300000000 ] - [ -0.0000847000000000, -0.0027316700000000, -0.0003452800000000 ] - [ 0.0005976400000000, -0.0022355700000000, -0.0009111300000000 ] - [ 0.0004132200000000, -0.0023130600000000, -0.0007690800000000 ] - [ -0.0027586000000000, -0.0079336400000000, -0.0022674100000000 ] - [ -0.0003022900000000, -0.0006278600000000, 0.0007717400000000 ] - [ -0.0003053200000000, -0.0019778300000000, 0.0007918600000000 ] - [ -0.0002571700000000, -0.0022827000000000, 0.0010330400000000 ] - [ -0.0081235200000000, 0.0121771000000000, -0.0202884900000000 ] - [ -0.0077811000000000, 0.0123130000000000, -0.0203775900000000 ] - [ -0.0079601500000000, 0.0108115900000000, -0.0206635700000000 ] - [ -0.0072590000000000, 0.0124400400000000, -0.0205103700000000 ] - [ 0.0081989200000000, 0.0118977000000000, 0.0205167100000000 ] - [ 0.0076167200000000, 0.0126807900000000, 0.0202985300000000 ] - [ 0.0046416400000000, 0.0171137600000000, 0.0151607300000000 ] - [ 0.0080690800000000, 0.0126198000000000, 0.0200008000000000 ] - [ 0.0255479900000000, 0.0074286100000000, -0.0036814800000000 ] - [ 0.0086812300000000, -0.0117862300000000, 0.0220301300000000 ] - [ 0.0078928900000000, -0.0123427700000000, 0.0203494100000000 ] - [ 0.0078246900000000, -0.0124394000000000, 0.0203055100000000 ] - [ -0.0077826900000000, -0.0125949700000000, -0.0202636300000000 ] - [ -0.0077840800000000, -0.0126026600000000, -0.0200985100000000 ] - [ -0.0077660400000000, -0.0123308600000000, -0.0203851800000000 ] - [ -0.0080678000000000, -0.0122242200000000, -0.0204523600000000 ] - [ -0.0069049400000000, -0.0050629800000000, -0.0223137700000000 ] - [ -0.0066270300000000, -0.0052606600000000, -0.0223344600000000 ] - [ -0.0066967800000000, -0.0034012600000000, -0.0200508600000000 ] - [ -0.0069616000000000, -0.0048610800000000, -0.0226937800000000 ] - [ 0.0069119800000000, -0.0055943000000000, 0.0223069500000000 ] - [ 0.0066931400000000, -0.0051368400000000, 0.0223061800000000 ] - [ 0.0072518000000000, -0.0051821200000000, 0.0216871700000000 ] - [ 0.0068073400000000, -0.0055985600000000, 0.0222357200000000 ] - [ 0.0063900600000000, 0.0052606700000000, 0.0219240300000000 ] - [ 0.0064340600000000, 0.0048980200000000, 0.0223557700000000 ] - [ 0.0068579700000000, 0.0052036900000000, 0.0222313700000000 ] - [ 0.0067160300000000, 0.0053167300000000, 0.0221566200000000 ] - [ -0.0069523600000000, 0.0075415900000000, -0.0249150900000000 ] - [ -0.0067436900000000, 0.0049044500000000, -0.0223695800000000 ] - [ -0.0065208900000000, 0.0048786000000000, -0.0230913700000000 ] - [ -0.0066525800000000, 0.0052144200000000, -0.0218844500000000 ] - [ 0.0153070400000000, 0.0105117900000000, -0.0008102600000000 ] - [ 0.0153092400000000, 0.0101341000000000, -0.0014005400000000 ] - [ 0.0007729300000000, 0.0176562300000000, -0.0208425800000000 ] - [ 0.0205110700000000, 0.0115686100000000, -0.0004573300000000 ] - [ -0.0153645400000000, 0.0102821400000000, 0.0010058200000000 ] - [ -0.0152164200000000, 0.0102008000000000, 0.0009447900000000 ] - [ -0.0149330700000000, 0.0105088800000000, 0.0009325000000000 ] - [ -0.0159834800000000, 0.0101535600000000, 0.0008923100000000 ] - [ 0.0094225900000000, -0.0125613900000000, -0.0176103800000000 ] - [ 0.0178948100000000, -0.0062687500000000, 0.0086576100000000 ] - [ 0.0126837700000000, -0.0036621900000000, 0.0092315100000000 ] - [ 0.0125549500000000, -0.0038383700000000, 0.0090644400000000 ] - [ -0.0128054200000000, -0.0036901100000000, -0.0089037200000000 ] - [ -0.0124294300000000, -0.0032273700000000, -0.0098097300000000 ] - [ -0.0124577500000000, -0.0031876200000000, -0.0081919800000000 ] - [ -0.0128268900000000, -0.0036987000000000, -0.0088368800000000 ] - [ -0.0126124400000000, 0.0037815300000000, -0.0088148400000000 ] - [ -0.0126117800000000, 0.0036026700000000, -0.0088337100000000 ] - [ -0.0127220600000000, 0.0038768800000000, -0.0090001900000000 ] - [ -0.0125515600000000, 0.0034219500000000, -0.0087087300000000 ] - [ 0.0129343700000000, 0.0025007200000000, 0.0106021600000000 ] - [ 0.0129418600000000, 0.0023105100000000, 0.0092548800000000 ] - [ 0.0149203500000000, 0.0017368800000000, 0.0035783900000000 ] - [ 0.0107225000000000, 0.0040621900000000, 0.0068265000000000 ] - [ -0.0007336500000000, -0.0000302100000000, -0.0006688700000000 ] - [ 0.0002835100000000, 0.0004583400000000, 0.0000249700000000 ] - [ 0.0010842500000000, 0.0000100100000000, 0.0000970300000000 ] - [ -0.0000613100000000, -0.0000072500000000, 0.0001273000000000 ] - [ -0.0039042500000000, -0.0054164000000000, 0.0016924300000000 ] - [ -0.0015706200000000, 0.0038749100000000, 0.0038749800000000 ] - [ 0.0000195100000000, 0.0001214200000000, 0.0001583000000000 ] - [ 0.0000476500000000, -0.0001979800000000, 0.0002804700000000 ]- atom: 17 displacement: [ 0.0099999991596329, 0.0000000000000000, 0.0000040996757033 ] forces: - [ 0.0056086600000000, 0.0074475500000000, -0.0241938500000000 ] - [ 0.0042762400000000, 0.0108253500000000, -0.0121827200000000 ] - [ 0.0008695600000000, 0.0098133700000000, -0.0182561400000000 ] - [ 0.0007765400000000, 0.0097568600000000, -0.0186017800000000 ] - [ -0.0008896600000000, 0.0096472000000000, 0.0185128800000000 ] - [ -0.0009676800000000, 0.0097451800000000, 0.0185764800000000 ] - [ -0.0013857600000000, 0.0099555900000000, 0.0183230400000000 ] - [ -0.0008555100000000, 0.0097601600000000, 0.0185430100000000 ] - [ -0.0010369800000000, -0.0096980800000000, 0.0184450500000000 ] - [ -0.0008631200000000, -0.0096393700000000, 0.0183325100000000 ] - [ -0.0010196700000000, -0.0097015400000000, 0.0180127300000000 ] - [ -0.0013056500000000, -0.0096853400000000, 0.0190231600000000 ] - [ 0.0509319300000000, 0.0002451800000000, 0.0068677800000000 ] - [ 0.0081697300000000, -0.0117815000000000, -0.0221605400000000 ] - [ 0.0011085500000000, -0.0096659900000000, -0.0183755600000000 ] - [ 0.0008615100000000, -0.0096508800000000, -0.0184295400000000 ] - [ -0.1299642800000000, -0.0015156200000000, -0.0013390100000000 ] - [ 0.0175334700000000, -0.0103406200000000, -0.0006467600000000 ] - [ 0.0153427100000000, -0.0102049000000000, -0.0009526800000000 ] - [ 0.0152498300000000, -0.0102831600000000, -0.0006849700000000 ] - [ -0.0149926000000000, -0.0103383200000000, 0.0009220100000000 ] - [ -0.0153915300000000, -0.0103463100000000, 0.0009872800000000 ] - [ -0.0153071000000000, -0.0101592200000000, 0.0007185500000000 ] - [ -0.0153181900000000, -0.0102233600000000, 0.0009122600000000 ] - [ -0.0004515600000000, 0.0144998200000000, 0.0059011600000000 ] - [ -0.0031878500000000, 0.0130889300000000, 0.0067168200000000 ] - [ -0.0006885000000000, 0.0142954700000000, 0.0057813800000000 ] - [ -0.0007029600000000, 0.0144789100000000, 0.0056765000000000 ] - [ -0.0026491300000000, 0.0163601600000000, -0.0068342700000000 ] - [ 0.0023529000000000, 0.0142668500000000, -0.0051850900000000 ] - [ 0.0005444900000000, 0.0141442400000000, -0.0057871200000000 ] - [ 0.0007094000000000, 0.0143021200000000, -0.0057485800000000 ] - [ -0.0023386300000000, -0.0134841500000000, -0.0064403400000000 ] - [ 0.0000513500000000, -0.0147021500000000, -0.0054910700000000 ] - [ 0.0009246100000000, -0.0139665000000000, -0.0066607000000000 ] - [ 0.0007170700000000, -0.0145488400000000, -0.0057041500000000 ] - [ -0.0004587700000000, -0.0140100100000000, 0.0057781900000000 ] - [ -0.0007304200000000, -0.0143501400000000, 0.0059247600000000 ] - [ -0.0005205000000000, -0.0142527300000000, 0.0059000300000000 ] - [ -0.0001175100000000, -0.0146362000000000, 0.0059288600000000 ] - [ -0.0004018500000000, 0.0019645400000000, 0.0011495600000000 ] - [ 0.0033189700000000, 0.0051035000000000, -0.0059788600000000 ] - [ 0.0003942800000000, 0.0037778700000000, 0.0003950600000000 ] - [ -0.0024432700000000, 0.0025964300000000, -0.0006950000000000 ] - [ 0.0004509300000000, 0.0024253500000000, -0.0008229300000000 ] - [ 0.0004297200000000, 0.0021986500000000, -0.0008396800000000 ] - [ 0.0005087400000000, 0.0022683600000000, -0.0008278500000000 ] - [ 0.0002099300000000, 0.0019734700000000, -0.0004587500000000 ] - [ 0.0007626600000000, -0.0031789700000000, -0.0002819700000000 ] - [ 0.0008063700000000, -0.0023861000000000, -0.0014013600000000 ] - [ 0.0004738500000000, -0.0022370100000000, -0.0008465400000000 ] - [ 0.0004949900000000, -0.0021429900000000, -0.0008219000000000 ] - [ 0.0045185700000000, 0.0023837700000000, -0.0007828900000000 ] - [ 0.0019632900000000, -0.0101702900000000, -0.0001388500000000 ] - [ -0.0002608100000000, -0.0024590700000000, 0.0009496200000000 ] - [ -0.0004602300000000, -0.0024252000000000, 0.0006445900000000 ] - [ -0.0074159500000000, 0.0124345900000000, -0.0204256900000000 ] - [ -0.0079751100000000, 0.0126083500000000, -0.0203397500000000 ] - [ -0.0076271800000000, 0.0124646100000000, -0.0203056700000000 ] - [ -0.0077493500000000, 0.0123174900000000, -0.0205108100000000 ] - [ -0.0011518000000000, 0.0143532000000000, 0.0196452500000000 ] - [ 0.0084973500000000, 0.0115652200000000, 0.0199971900000000 ] - [ 0.0080799400000000, 0.0119896700000000, 0.0202768900000000 ] - [ 0.0075479800000000, 0.0128197600000000, 0.0201446400000000 ] - [ 0.0377203400000000, -0.0337760100000000, 0.0012183400000000 ] - [ 0.0085183500000000, -0.0127030700000000, 0.0202281500000000 ] - [ 0.0077417300000000, -0.0124679700000000, 0.0201524000000000 ] - [ 0.0076836600000000, -0.0124246300000000, 0.0203757500000000 ] - [ -0.0076818400000000, -0.0122325400000000, -0.0202911800000000 ] - [ -0.0080106000000000, -0.0126983500000000, -0.0205762000000000 ] - [ -0.0070689300000000, -0.0125888300000000, -0.0202462200000000 ] - [ -0.0077551900000000, -0.0123888800000000, -0.0203657400000000 ] - [ -0.0030138200000000, -0.0051836800000000, -0.0216750500000000 ] - [ -0.0069566000000000, -0.0051635600000000, -0.0223182800000000 ] - [ -0.0063566700000000, -0.0051588400000000, -0.0223436900000000 ] - [ -0.0071541700000000, -0.0087478600000000, -0.0194789300000000 ] - [ 0.0063829800000000, -0.0053960100000000, 0.0225859500000000 ] - [ 0.0072822300000000, -0.0051167800000000, 0.0219899300000000 ] - [ 0.0067672200000000, -0.0054593300000000, 0.0221981700000000 ] - [ 0.0064629800000000, -0.0050161000000000, 0.0220469700000000 ] - [ 0.0072056700000000, 0.0052899300000000, 0.0222961200000000 ] - [ 0.0061066500000000, 0.0056165900000000, 0.0217725900000000 ] - [ 0.0050364700000000, 0.0056603700000000, 0.0216274300000000 ] - [ 0.0068713200000000, 0.0052579000000000, 0.0222705300000000 ] - [ -0.0022362600000000, 0.0024520600000000, -0.0207941200000000 ] - [ -0.0022587400000000, 0.0120953100000000, -0.0234743700000000 ] - [ -0.0066299300000000, 0.0054476800000000, -0.0220697400000000 ] - [ -0.0068112200000000, 0.0052295600000000, -0.0222446200000000 ] - [ 0.0138596300000000, 0.0079915100000000, -0.0032712300000000 ] - [ 0.0166481500000000, 0.0104782600000000, -0.0001536600000000 ] - [ 0.0138623000000000, 0.0105226300000000, -0.0012589700000000 ] - [ 0.0166396500000000, 0.0097567200000000, -0.0007008600000000 ] - [ -0.0151555900000000, 0.0102741100000000, 0.0009681800000000 ] - [ -0.0154464600000000, 0.0103829000000000, 0.0008946900000000 ] - [ -0.0153950200000000, 0.0102100000000000, 0.0008139200000000 ] - [ -0.0148018900000000, 0.0101939000000000, 0.0008043900000000 ] - [ 0.0102657900000000, -0.0037095900000000, 0.0097206700000000 ] - [ 0.0344975900000000, -0.0029435600000000, 0.0100993100000000 ] - [ 0.0117390800000000, -0.0031186700000000, 0.0084011700000000 ] - [ 0.0132109600000000, -0.0026872000000000, 0.0091827300000000 ] - [ -0.0123516000000000, -0.0032915700000000, -0.0095061000000000 ] - [ -0.0129729500000000, -0.0036330000000000, -0.0090859600000000 ] - [ -0.0128074700000000, -0.0038192100000000, -0.0086837900000000 ] - [ -0.0124270900000000, -0.0037985500000000, -0.0084764900000000 ] - [ -0.0124701900000000, 0.0035372400000000, -0.0086102000000000 ] - [ -0.0126021900000000, 0.0034371500000000, -0.0088343800000000 ] - [ -0.0128115800000000, 0.0036186300000000, -0.0087733200000000 ] - [ -0.0125400800000000, 0.0038270200000000, -0.0094224900000000 ] - [ 0.0119937000000000, 0.0037621700000000, 0.0090336200000000 ] - [ 0.0392558500000000, 0.0034513600000000, 0.0110014200000000 ] - [ 0.0126170200000000, 0.0032832800000000, 0.0081698300000000 ] - [ 0.0131137200000000, 0.0027492800000000, 0.0094393400000000 ] - [ 0.0016702900000000, 0.0004512000000000, 0.0014773200000000 ] - [ -0.0021328700000000, -0.0007612200000000, -0.0002069000000000 ] - [ 0.0001025500000000, 0.0000543700000000, -0.0000239700000000 ] - [ -0.0001693800000000, 0.0001136100000000, -0.0003119700000000 ] - [ -0.0032254800000000, 0.0050002100000000, 0.0039842400000000 ] - [ -0.0014119200000000, -0.0010160500000000, -0.0004878400000000 ] - [ -0.0001408400000000, -0.0004283500000000, 0.0009204500000000 ] - [ -0.0003163100000000, -0.0001087300000000, 0.0001787600000000 ]- atom: 17 displacement: [ -0.0099999991596329, 0.0000000000000000, -0.0000040996757033 ] forces: - [ -0.0036741000000000, 0.0119657200000000, -0.0126984000000000 ] - [ -0.0024121300000000, 0.0086445600000000, -0.0247125000000000 ] - [ 0.0010235500000000, 0.0096925100000000, -0.0185854200000000 ] - [ 0.0011155300000000, 0.0097640200000000, -0.0182429800000000 ] - [ -0.0009982500000000, 0.0098546700000000, 0.0183302900000000 ] - [ -0.0009192800000000, 0.0097571000000000, 0.0182718900000000 ] - [ -0.0005024300000000, 0.0095525000000000, 0.0185206200000000 ] - [ -0.0010318600000000, 0.0097458700000000, 0.0182972200000000 ] - [ -0.0008574400000000, -0.0098103600000000, 0.0183935700000000 ] - [ -0.0010288700000000, -0.0098693900000000, 0.0185063200000000 ] - [ -0.0008724100000000, -0.0098066000000000, 0.0188298200000000 ] - [ -0.0005810900000000, -0.0098229900000000, 0.0178149400000000 ] - [ -0.0473053600000000, -0.0188746400000000, -0.0424746800000000 ] - [ -0.0064022200000000, -0.0076563500000000, -0.0146036300000000 ] - [ 0.0007866200000000, -0.0098440800000000, -0.0184635200000000 ] - [ 0.0010234700000000, -0.0098493800000000, -0.0184175300000000 ] - [ 0.1588661400000000, -0.0189749100000000, -0.0017673900000000 ] - [ 0.0130666000000000, -0.0102057000000000, -0.0011036400000000 ] - [ 0.0152953000000000, -0.0103287400000000, -0.0007992400000000 ] - [ 0.0153826000000000, -0.0102426700000000, -0.0010694300000000 ] - [ -0.0156469400000000, -0.0101938200000000, 0.0008267200000000 ] - [ -0.0152434300000000, -0.0101920300000000, 0.0007566300000000 ] - [ -0.0153277600000000, -0.0103817900000000, 0.0010229300000000 ] - [ -0.0153126300000000, -0.0103108100000000, 0.0008296000000000 ] - [ -0.0008944800000000, 0.0140851700000000, 0.0057667200000000 ] - [ 0.0018495300000000, 0.0155075000000000, 0.0049009700000000 ] - [ -0.0006672000000000, 0.0143062200000000, 0.0058383900000000 ] - [ -0.0006480200000000, 0.0141121500000000, 0.0059564700000000 ] - [ 0.0040176400000000, 0.0122353600000000, -0.0047749000000000 ] - [ -0.0010402100000000, 0.0143319400000000, -0.0064533700000000 ] - [ 0.0008123200000000, 0.0144591300000000, -0.0058414600000000 ] - [ 0.0006378600000000, 0.0142940800000000, -0.0058796600000000 ] - [ 0.0037420500000000, -0.0151434700000000, -0.0051805600000000 ] - [ 0.0012877300000000, -0.0138905400000000, -0.0061556300000000 ] - [ 0.0004350600000000, -0.0146358100000000, -0.0049568700000000 ] - [ 0.0006310800000000, -0.0140485800000000, -0.0059206000000000 ] - [ -0.0009000300000000, -0.0145987500000000, 0.0058414500000000 ] - [ -0.0006254700000000, -0.0142378900000000, 0.0057072000000000 ] - [ -0.0008362700000000, -0.0143489900000000, 0.0057227800000000 ] - [ -0.0012293400000000, -0.0139552600000000, 0.0056917200000000 ] - [ -0.0005210600000000, 0.0026134400000000, 0.0003596900000000 ] - [ -0.0042787600000000, -0.0005624900000000, 0.0075348200000000 ] - [ -0.0013060800000000, 0.0008238800000000, 0.0011105500000000 ] - [ 0.0015280500000000, 0.0019661600000000, 0.0022125500000000 ] - [ 0.0004681500000000, 0.0021510300000000, -0.0006892800000000 ] - [ 0.0005026000000000, 0.0023796900000000, -0.0006721400000000 ] - [ 0.0004120900000000, 0.0023080800000000, -0.0006894500000000 ] - [ 0.0007111800000000, 0.0025971200000000, -0.0010596500000000 ] - [ 0.0001656100000000, -0.0013758600000000, -0.0012339200000000 ] - [ 0.0001124100000000, -0.0021856900000000, -0.0001118600000000 ] - [ 0.0004430100000000, -0.0023455000000000, -0.0006625900000000 ] - [ 0.0004252300000000, -0.0024304800000000, -0.0006980700000000 ] - [ -0.0053548900000000, -0.0069124300000000, 0.0024174300000000 ] - [ -0.0028883800000000, 0.0056877600000000, 0.0017177200000000 ] - [ -0.0006569000000000, -0.0021164300000000, 0.0005597200000000 ] - [ -0.0004608100000000, -0.0021476000000000, 0.0008731600000000 ] - [ -0.0082592300000000, 0.0122999600000000, -0.0202839000000000 ] - [ -0.0076955500000000, 0.0121126100000000, -0.0203781600000000 ] - [ -0.0080468400000000, 0.0122666100000000, -0.0204038700000000 ] - [ -0.0079165800000000, 0.0124172300000000, -0.0201933000000000 ] - [ 0.0168455000000000, 0.0103445700000000, 0.0209854300000000 ] - [ 0.0071372100000000, 0.0131850800000000, 0.0207317900000000 ] - [ 0.0075894600000000, 0.0127439400000000, 0.0204344500000000 ] - [ 0.0081252500000000, 0.0119065000000000, 0.0205610600000000 ] - [ -0.0217000500000000, 0.0084410200000000, 0.0390631300000000 ] - [ 0.0071242300000000, -0.0120424000000000, 0.0204747300000000 ] - [ 0.0079367400000000, -0.0122608300000000, 0.0205672900000000 ] - [ 0.0079892700000000, -0.0123140200000000, 0.0203297000000000 ] - [ -0.0079929800000000, -0.0125055400000000, -0.0204184100000000 ] - [ -0.0076617200000000, -0.0120266000000000, -0.0201331400000000 ] - [ -0.0086139400000000, -0.0121422900000000, -0.0204628200000000 ] - [ -0.0079144400000000, -0.0123410500000000, -0.0203446100000000 ] - [ -0.0104966200000000, -0.0054010800000000, -0.0227368100000000 ] - [ -0.0065187400000000, -0.0054143500000000, -0.0220997800000000 ] - [ -0.0071235400000000, -0.0054176300000000, -0.0220722000000000 ] - [ -0.0062934300000000, -0.0018600100000000, -0.0249048300000000 ] - [ 0.0070974800000000, -0.0051699700000000, 0.0218215500000000 ] - [ 0.0061806300000000, -0.0054819100000000, 0.0224411800000000 ] - [ 0.0067088400000000, -0.0051227100000000, 0.0222093700000000 ] - [ 0.0070169100000000, -0.0055622400000000, 0.0223684900000000 ] - [ 0.0062741700000000, 0.0052924700000000, 0.0221219600000000 ] - [ 0.0073774100000000, 0.0049564000000000, 0.0226537700000000 ] - [ 0.0084540800000000, 0.0049207400000000, 0.0227924700000000 ] - [ 0.0066004700000000, 0.0053239400000000, 0.0221397500000000 ] - [ -0.0111802700000000, 0.0080559600000000, -0.0236923300000000 ] - [ -0.0112360900000000, -0.0016062000000000, -0.0209464300000000 ] - [ -0.0068547500000000, 0.0051294200000000, -0.0223461100000000 ] - [ -0.0066645300000000, 0.0053412600000000, -0.0221774500000000 ] - [ 0.0167912700000000, 0.0125605800000000, 0.0015760900000000 ] - [ 0.0139695000000000, 0.0100582800000000, -0.0016025400000000 ] - [ 0.0167986800000000, 0.0100110800000000, -0.0004950600000000 ] - [ 0.0139624700000000, 0.0107888800000000, -0.0010573900000000 ] - [ -0.0154782700000000, 0.0102597700000000, 0.0007758100000000 ] - [ -0.0151870500000000, 0.0101455100000000, 0.0008599100000000 ] - [ -0.0152453300000000, 0.0103285900000000, 0.0009320400000000 ] - [ -0.0158307000000000, 0.0103403200000000, 0.0009401900000000 ] - [ 0.0150155700000000, -0.0034370900000000, 0.0080572400000000 ] - [ -0.0093331700000000, -0.0041444700000000, 0.0075670000000000 ] - [ 0.0135337000000000, -0.0040266200000000, 0.0093706700000000 ] - [ 0.0120645200000000, -0.0044644600000000, 0.0085813100000000 ] - [ -0.0129181400000000, -0.0038585500000000, -0.0082513000000000 ] - [ -0.0122790700000000, -0.0035222000000000, -0.0086853900000000 ] - [ -0.0124539300000000, -0.0033143900000000, -0.0090925100000000 ] - [ -0.0128370200000000, -0.0033444600000000, -0.0092853000000000 ] - [ -0.0127934600000000, 0.0036125500000000, -0.0091533000000000 ] - [ -0.0126600500000000, 0.0037119600000000, -0.0089286500000000 ] - [ -0.0124532700000000, 0.0035257900000000, -0.0089907300000000 ] - [ -0.0127292300000000, 0.0033189900000000, -0.0083366800000000 ] - [ 0.0134223500000000, 0.0033438400000000, 0.0088234600000000 ] - [ -0.0144540200000000, 0.0035213900000000, 0.0073104800000000 ] - [ 0.0126710600000000, 0.0038544200000000, 0.0095794300000000 ] - [ 0.0121483700000000, 0.0044041500000000, 0.0083254700000000 ] - [ -0.0016646700000000, -0.0004624500000000, -0.0014758000000000 ] - [ 0.0021877200000000, 0.0007929300000000, 0.0001720600000000 ] - [ -0.0001046900000000, -0.0000529000000000, 0.0000316100000000 ] - [ 0.0001696300000000, -0.0001213900000000, 0.0003139500000000 ] - [ 0.0031939300000000, -0.0050404400000000, -0.0040277500000000 ] - [ 0.0014289700000000, 0.0010329600000000, 0.0004955800000000 ] - [ 0.0001338000000000, 0.0004616000000000, -0.0009487900000000 ] - [ 0.0003248900000000, 0.0001112700000000, -0.0001765900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009177200000000, 0.0029213200000000, -0.0178433200000000 ] - [ 0.0006408500000000, 0.0066607500000000, -0.0188426700000000 ] - [ 0.0010860900000000, 0.0100186600000000, -0.0184918900000000 ] - [ 0.0012313800000000, 0.0100297000000000, -0.0185994500000000 ] - [ -0.0011100900000000, 0.0099888000000000, 0.0182567300000000 ] - [ -0.0009977400000000, 0.0098064100000000, 0.0185346300000000 ] - [ -0.0008292900000000, 0.0097011500000000, 0.0184577600000000 ] - [ -0.0007938700000000, 0.0096905000000000, 0.0183375500000000 ] - [ -0.0006847400000000, -0.0095704000000000, 0.0184629800000000 ] - [ -0.0009509000000000, -0.0096559000000000, 0.0184919000000000 ] - [ -0.0009046200000000, -0.0097324100000000, 0.0181879900000000 ] - [ -0.0013393600000000, -0.0096705400000000, 0.0184605500000000 ] - [ 0.0146680600000000, 0.0070035700000000, -0.0081219600000000 ] - [ -0.0011811700000000, -0.0131384300000000, -0.0175552000000000 ] - [ 0.0010672400000000, -0.0103732800000000, -0.0181504900000000 ] - [ 0.0010396700000000, -0.0097572300000000, -0.0185403600000000 ] - [ 0.0236019400000000, -0.1449038000000000, -0.0123390700000000 ] - [ 0.0152534900000000, -0.0101005700000000, -0.0016961600000000 ] - [ 0.0153866600000000, -0.0103178200000000, -0.0008655500000000 ] - [ 0.0153042300000000, -0.0100897900000000, -0.0008595400000000 ] - [ -0.0152491700000000, -0.0100180200000000, 0.0008297500000000 ] - [ -0.0152438100000000, -0.0099718100000000, 0.0009143200000000 ] - [ -0.0154348000000000, -0.0102819400000000, 0.0008389500000000 ] - [ -0.0153678400000000, -0.0102190600000000, 0.0009299100000000 ] - [ -0.0003412600000000, 0.0147895000000000, 0.0056226700000000 ] - [ -0.0017390600000000, 0.0146870200000000, 0.0059882400000000 ] - [ -0.0007057600000000, 0.0143754800000000, 0.0057327500000000 ] - [ -0.0005520700000000, 0.0143636700000000, 0.0058116000000000 ] - [ 0.0028333700000000, 0.0216731800000000, -0.0071483700000000 ] - [ -0.0002980900000000, 0.0146457700000000, -0.0067814400000000 ] - [ 0.0006360800000000, 0.0143267400000000, -0.0059973700000000 ] - [ 0.0007170100000000, 0.0141894200000000, -0.0059264000000000 ] - [ 0.0014062600000000, -0.0121912200000000, -0.0100783400000000 ] - [ 0.0002861400000000, -0.0146742200000000, -0.0042664000000000 ] - [ 0.0008398500000000, -0.0142417600000000, -0.0052824600000000 ] - [ 0.0004248500000000, -0.0143203400000000, -0.0057609900000000 ] - [ -0.0006854200000000, -0.0143803800000000, 0.0059183400000000 ] - [ -0.0009576100000000, -0.0138583700000000, 0.0062070400000000 ] - [ -0.0008666800000000, -0.0142133900000000, 0.0058046500000000 ] - [ -0.0004393100000000, -0.0145176100000000, 0.0057210900000000 ] - [ -0.0006683400000000, 0.0008989800000000, 0.0013103300000000 ] - [ 0.0020709800000000, 0.0012280600000000, -0.0023906200000000 ] - [ -0.0006546900000000, 0.0043022000000000, -0.0001151500000000 ] - [ -0.0003136400000000, 0.0025267800000000, 0.0007500200000000 ] - [ 0.0009186400000000, 0.0026897300000000, -0.0002904500000000 ] - [ 0.0003421800000000, 0.0023138900000000, -0.0006412100000000 ] - [ 0.0005532600000000, 0.0023983900000000, -0.0008735900000000 ] - [ 0.0002104600000000, 0.0022325700000000, -0.0010220600000000 ] - [ 0.0001137500000000, -0.0011909700000000, -0.0004436600000000 ] - [ 0.0010454700000000, -0.0026098300000000, -0.0009688400000000 ] - [ 0.0004442400000000, -0.0021687200000000, -0.0008784800000000 ] - [ 0.0004391600000000, -0.0021830600000000, -0.0009239000000000 ] - [ 0.0030548100000000, -0.0001173100000000, 0.0025902400000000 ] - [ -0.0084624000000000, 0.0056305800000000, 0.0019540800000000 ] - [ -0.0003724800000000, -0.0022629400000000, 0.0006842000000000 ] - [ -0.0004716700000000, -0.0023239100000000, 0.0008822500000000 ] - [ -0.0079401700000000, 0.0121576400000000, -0.0209242600000000 ] - [ -0.0078934600000000, 0.0126837100000000, -0.0201426100000000 ] - [ -0.0078018400000000, 0.0124574100000000, -0.0202424300000000 ] - [ -0.0075367900000000, 0.0120382000000000, -0.0203663700000000 ] - [ 0.0112545000000000, 0.0161670400000000, 0.0269211500000000 ] - [ 0.0076574800000000, 0.0126088100000000, 0.0201655500000000 ] - [ 0.0073334900000000, 0.0126091100000000, 0.0203796900000000 ] - [ 0.0075461300000000, 0.0126277000000000, 0.0201145000000000 ] - [ -0.0120315300000000, 0.0273309700000000, 0.0455014000000000 ] - [ 0.0082311000000000, -0.0128202300000000, 0.0209632400000000 ] - [ 0.0077051200000000, -0.0124138600000000, 0.0201804200000000 ] - [ 0.0077620700000000, -0.0126378700000000, 0.0201763500000000 ] - [ -0.0079101500000000, -0.0124419700000000, -0.0201313200000000 ] - [ -0.0081359400000000, -0.0113554900000000, -0.0204358700000000 ] - [ -0.0081540700000000, -0.0122472700000000, -0.0205022700000000 ] - [ -0.0078483700000000, -0.0123557700000000, -0.0203636600000000 ] - [ -0.0081528700000000, -0.0037967700000000, -0.0214997000000000 ] - [ -0.0066213300000000, -0.0053955100000000, -0.0220693800000000 ] - [ -0.0065170000000000, -0.0055210700000000, -0.0224431900000000 ] - [ -0.0101814800000000, -0.0002372400000000, -0.0278920000000000 ] - [ 0.0074659000000000, -0.0046912600000000, 0.0233272000000000 ] - [ 0.0069538900000000, -0.0049176600000000, 0.0214672600000000 ] - [ 0.0066780400000000, -0.0051165300000000, 0.0220896200000000 ] - [ 0.0067758400000000, -0.0050848000000000, 0.0222479900000000 ] - [ 0.0069670600000000, 0.0059527000000000, 0.0215775400000000 ] - [ 0.0068195500000000, 0.0048986000000000, 0.0226801200000000 ] - [ 0.0075397700000000, 0.0051806500000000, 0.0224745500000000 ] - [ 0.0067568900000000, 0.0054463400000000, 0.0221288900000000 ] - [ -0.0120725200000000, 0.0075516900000000, -0.0250008500000000 ] - [ -0.0002523000000000, 0.0105674500000000, -0.0236090000000000 ] - [ -0.0067997900000000, 0.0052715600000000, -0.0219380200000000 ] - [ -0.0065928600000000, 0.0052600100000000, -0.0222301400000000 ] - [ 0.0150603400000000, 0.0087510200000000, 0.0003957100000000 ] - [ 0.0158353100000000, 0.0105641100000000, -0.0005791900000000 ] - [ 0.0176003900000000, 0.0087400500000000, -0.0027605800000000 ] - [ 0.0151186600000000, 0.0105585600000000, -0.0009584600000000 ] - [ -0.0153158200000000, 0.0103178900000000, 0.0012886200000000 ] - [ -0.0152046900000000, 0.0105115800000000, 0.0006510700000000 ] - [ -0.0153825600000000, 0.0104115600000000, 0.0008722200000000 ] - [ -0.0153988500000000, 0.0103519900000000, 0.0008014700000000 ] - [ 0.0127402500000000, -0.0021139400000000, 0.0092926300000000 ] - [ 0.0114660100000000, 0.0218652500000000, 0.0034756500000000 ] - [ 0.0128124300000000, -0.0034226900000000, 0.0086179200000000 ] - [ 0.0126511500000000, -0.0032332200000000, 0.0089421100000000 ] - [ -0.0126073300000000, -0.0041785600000000, -0.0090968200000000 ] - [ -0.0127512500000000, -0.0044352100000000, -0.0089000400000000 ] - [ -0.0126188200000000, -0.0037431600000000, -0.0088320000000000 ] - [ -0.0126297700000000, -0.0037441400000000, -0.0086409200000000 ] - [ -0.0129004800000000, 0.0032477900000000, -0.0093304000000000 ] - [ -0.0123510400000000, 0.0029632000000000, -0.0089893200000000 ] - [ -0.0127737400000000, 0.0031863700000000, -0.0085511500000000 ] - [ -0.0122192500000000, 0.0026500700000000, -0.0088751500000000 ] - [ 0.0085962500000000, 0.0029081700000000, 0.0064673300000000 ] - [ 0.0148701500000000, 0.0313973200000000, 0.0049503600000000 ] - [ 0.0136172600000000, 0.0032320300000000, 0.0081761700000000 ] - [ 0.0123889300000000, 0.0040015100000000, 0.0088132600000000 ] - [ -0.0004684400000000, -0.0030852400000000, -0.0021118200000000 ] - [ 0.0006191100000000, 0.0005152500000000, -0.0017816900000000 ] - [ 0.0000128200000000, 0.0000455800000000, 0.0001088600000000 ] - [ 0.0001081200000000, -0.0000413200000000, 0.0001950200000000 ] - [ -0.0006054000000000, 0.0013772400000000, -0.0002794500000000 ] - [ -0.0000396300000000, 0.0005432700000000, -0.0004771500000000 ] - [ -0.0004174000000000, -0.0003700300000000, 0.0006415500000000 ] - [ 0.0002649900000000, 0.0004135800000000, -0.0001153500000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009815600000000, 0.0165831500000000, -0.0189628700000000 ] - [ 0.0012563700000000, 0.0128172000000000, -0.0179690100000000 ] - [ 0.0008080900000000, 0.0094926000000000, -0.0183474600000000 ] - [ 0.0006588500000000, 0.0094750700000000, -0.0182448600000000 ] - [ -0.0007816300000000, 0.0095164700000000, 0.0185835700000000 ] - [ -0.0008917500000000, 0.0096989600000000, 0.0183115900000000 ] - [ -0.0010619000000000, 0.0098087100000000, 0.0183824900000000 ] - [ -0.0010935700000000, 0.0098142500000000, 0.0185027800000000 ] - [ -0.0012077600000000, -0.0099332500000000, 0.0183778200000000 ] - [ -0.0009400900000000, -0.0098531500000000, 0.0183458100000000 ] - [ -0.0009889200000000, -0.0097778800000000, 0.0186554600000000 ] - [ -0.0005531200000000, -0.0098376800000000, 0.0183784500000000 ] - [ -0.0125600800000000, -0.0265101400000000, -0.0287059600000000 ] - [ 0.0030767400000000, -0.0063733500000000, -0.0192877300000000 ] - [ 0.0008298700000000, -0.0091371300000000, -0.0186911800000000 ] - [ 0.0008469100000000, -0.0097474500000000, -0.0183003000000000 ] - [ 0.0061031300000000, 0.1249293000000000, 0.0120343400000000 ] - [ 0.0153760000000000, -0.0104399000000000, -0.0000495200000000 ] - [ 0.0152485200000000, -0.0102178000000000, -0.0008829600000000 ] - [ 0.0153272700000000, -0.0104424800000000, -0.0008868600000000 ] - [ -0.0153821200000000, -0.0105123000000000, 0.0009143300000000 ] - [ -0.0153876600000000, -0.0105611200000000, 0.0008284400000000 ] - [ -0.0151982000000000, -0.0102585500000000, 0.0009035000000000 ] - [ -0.0152635300000000, -0.0103138900000000, 0.0008152900000000 ] - [ -0.0009834400000000, 0.0137841400000000, 0.0060541200000000 ] - [ 0.0003829800000000, 0.0139000300000000, 0.0056285900000000 ] - [ -0.0006467600000000, 0.0142228600000000, 0.0058888700000000 ] - [ -0.0007969600000000, 0.0142309100000000, 0.0058185900000000 ] - [ -0.0014235700000000, 0.0070338700000000, -0.0045006000000000 ] - [ 0.0016236000000000, 0.0139626400000000, -0.0048620000000000 ] - [ 0.0007176700000000, 0.0142736800000000, -0.0056321500000000 ] - [ 0.0006303400000000, 0.0144067800000000, -0.0057005800000000 ] - [ -0.0000726100000000, -0.0164205000000000, -0.0015188300000000 ] - [ 0.0010696600000000, -0.0139254500000000, -0.0073672400000000 ] - [ 0.0005150000000000, -0.0143610700000000, -0.0063338000000000 ] - [ 0.0009267600000000, -0.0142772200000000, -0.0058656800000000 ] - [ -0.0006667400000000, -0.0142248700000000, 0.0057088100000000 ] - [ -0.0003994300000000, -0.0147310500000000, 0.0054282400000000 ] - [ -0.0004839300000000, -0.0143850800000000, 0.0058219300000000 ] - [ -0.0009029300000000, -0.0140774100000000, 0.0059030200000000 ] - [ -0.0002550800000000, 0.0036728800000000, 0.0002126700000000 ] - [ -0.0029646300000000, 0.0033623700000000, 0.0038672300000000 ] - [ -0.0002704200000000, 0.0002740100000000, 0.0016329200000000 ] - [ -0.0006132200000000, 0.0020546500000000, 0.0007741400000000 ] - [ 0.0000063800000000, 0.0018946100000000, -0.0012209700000000 ] - [ 0.0005847200000000, 0.0022668000000000, -0.0008744100000000 ] - [ 0.0003667000000000, 0.0021804700000000, -0.0006427700000000 ] - [ 0.0007027200000000, 0.0023400000000000, -0.0004929100000000 ] - [ 0.0008106500000000, -0.0033663700000000, -0.0010700700000000 ] - [ -0.0001263300000000, -0.0019656600000000, -0.0005440800000000 ] - [ 0.0004716800000000, -0.0024115800000000, -0.0006338400000000 ] - [ 0.0004793900000000, -0.0023904700000000, -0.0005927000000000 ] - [ -0.0039121800000000, -0.0044209400000000, -0.0010064900000000 ] - [ 0.0074234700000000, -0.0101272100000000, -0.0004214100000000 ] - [ -0.0005426300000000, -0.0023137200000000, 0.0008297500000000 ] - [ -0.0004496500000000, -0.0022504500000000, 0.0006338600000000 ] - [ -0.0077379900000000, 0.0125743800000000, -0.0197851400000000 ] - [ -0.0077818900000000, 0.0120460300000000, -0.0205720300000000 ] - [ -0.0078683700000000, 0.0122733000000000, -0.0204676800000000 ] - [ -0.0081335900000000, 0.0126927900000000, -0.0203444000000000 ] - [ 0.0044567900000000, 0.0085722500000000, 0.0138418300000000 ] - [ 0.0080107000000000, 0.0121249300000000, 0.0205372000000000 ] - [ 0.0083389300000000, 0.0121234200000000, 0.0203311700000000 ] - [ 0.0081185100000000, 0.0121079700000000, 0.0205897800000000 ] - [ 0.0286781300000000, -0.0530910400000000, -0.0057047600000000 ] - [ 0.0074420600000000, -0.0119011800000000, 0.0197455200000000 ] - [ 0.0079686600000000, -0.0123172100000000, 0.0205311800000000 ] - [ 0.0079104600000000, -0.0120963600000000, 0.0205342600000000 ] - [ -0.0077625500000000, -0.0122966100000000, -0.0205718200000000 ] - [ -0.0075442900000000, -0.0133578500000000, -0.0202738100000000 ] - [ -0.0075230000000000, -0.0124846800000000, -0.0202075800000000 ] - [ -0.0078228200000000, -0.0123740000000000, -0.0203490100000000 ] - [ -0.0053294400000000, -0.0067721900000000, -0.0229011500000000 ] - [ -0.0068533300000000, -0.0051864200000000, -0.0223478100000000 ] - [ -0.0069550700000000, -0.0050575500000000, -0.0219739700000000 ] - [ -0.0033222200000000, -0.0103160900000000, -0.0165333200000000 ] - [ 0.0060228400000000, -0.0058791500000000, 0.0210819900000000 ] - [ 0.0065054400000000, -0.0056814400000000, 0.0229501900000000 ] - [ 0.0067962600000000, -0.0054646600000000, 0.0223181500000000 ] - [ 0.0067001300000000, -0.0054933500000000, 0.0221658400000000 ] - [ 0.0065139100000000, 0.0046416000000000, 0.0228185700000000 ] - [ 0.0066508600000000, 0.0056828500000000, 0.0217307900000000 ] - [ 0.0059441800000000, 0.0053971300000000, 0.0219421700000000 ] - [ 0.0067167000000000, 0.0051376800000000, 0.0222821400000000 ] - [ -0.0013087800000000, 0.0029390700000000, -0.0194984800000000 ] - [ -0.0132661000000000, -0.0000190300000000, -0.0207977100000000 ] - [ -0.0066775300000000, 0.0053076800000000, -0.0224771300000000 ] - [ -0.0068852600000000, 0.0053126200000000, -0.0221897900000000 ] - [ 0.0155605300000000, 0.0117916600000000, -0.0021417200000000 ] - [ 0.0147883400000000, 0.0099785700000000, -0.0011659300000000 ] - [ 0.0130191300000000, 0.0117806100000000, 0.0009747600000000 ] - [ 0.0155278400000000, 0.0099736700000000, -0.0007843200000000 ] - [ -0.0153150500000000, 0.0102198000000000, 0.0004515200000000 ] - [ -0.0154271100000000, 0.0100209900000000, 0.0010981800000000 ] - [ -0.0152550800000000, 0.0101238900000000, 0.0008735600000000 ] - [ -0.0152353300000000, 0.0101854100000000, 0.0009433000000000 ] - [ 0.0125104200000000, -0.0050476900000000, 0.0084659100000000 ] - [ 0.0136378400000000, -0.0283709400000000, 0.0134668700000000 ] - [ 0.0124571000000000, -0.0037237700000000, 0.0091441800000000 ] - [ 0.0126202300000000, -0.0039168800000000, 0.0088223200000000 ] - [ -0.0126630300000000, -0.0029786800000000, -0.0086580400000000 ] - [ -0.0125087800000000, -0.0027355400000000, -0.0088754300000000 ] - [ -0.0126450600000000, -0.0033957200000000, -0.0089404300000000 ] - [ -0.0126346000000000, -0.0034006000000000, -0.0091261400000000 ] - [ -0.0123651600000000, 0.0038967200000000, -0.0084379900000000 ] - [ -0.0129130800000000, 0.0041858600000000, -0.0087759500000000 ] - [ -0.0124937400000000, 0.0039549300000000, -0.0092131200000000 ] - [ -0.0130458800000000, 0.0044917800000000, -0.0088819800000000 ] - [ 0.0166596600000000, 0.0042443500000000, 0.0112970700000000 ] - [ 0.0102223600000000, -0.0244535700000000, 0.0131833700000000 ] - [ 0.0116500100000000, 0.0039194000000000, 0.0095720800000000 ] - [ 0.0128838700000000, 0.0031518000000000, 0.0089372800000000 ] - [ 0.0004594700000000, 0.0030416800000000, 0.0020956700000000 ] - [ -0.0005962800000000, -0.0004995200000000, 0.0017659100000000 ] - [ -0.0000155900000000, -0.0000459900000000, -0.0001015600000000 ] - [ -0.0001073000000000, 0.0000377300000000, -0.0001960100000000 ] - [ 0.0006214800000000, -0.0014430800000000, 0.0002324200000000 ] - [ 0.0000415600000000, -0.0005368100000000, 0.0004734300000000 ] - [ 0.0004173000000000, 0.0003827400000000, -0.0006418500000000 ] - [ -0.0002626100000000, -0.0004089500000000, 0.0001101000000000 ]- atom: 17 displacement: [ -0.0019892822674104, 0.0000000000000000, 0.0098001406143262 ] forces: - [ -0.0034277100000000, 0.0126733900000000, -0.0140700100000000 ] - [ 0.0061038000000000, 0.0103869600000000, -0.0153258600000000 ] - [ 0.0010775300000000, 0.0091873300000000, -0.0181878100000000 ] - [ 0.0010969900000000, 0.0103480700000000, -0.0185582800000000 ] - [ -0.0010138100000000, 0.0096468600000000, 0.0183941100000000 ] - [ -0.0008348100000000, 0.0096552800000000, 0.0184082600000000 ] - [ -0.0007691500000000, 0.0096679500000000, 0.0184369800000000 ] - [ -0.0010411400000000, 0.0097336800000000, 0.0184438100000000 ] - [ -0.0009686100000000, -0.0097726300000000, 0.0182749000000000 ] - [ -0.0010144100000000, -0.0097024800000000, 0.0183547500000000 ] - [ -0.0010025100000000, -0.0098734300000000, 0.0184290200000000 ] - [ -0.0005441500000000, -0.0096893600000000, 0.0183441400000000 ] - [ 0.0166236400000000, -0.0037898200000000, 0.0018159100000000 ] - [ -0.0048023700000000, -0.0058913100000000, -0.0189611400000000 ] - [ 0.0008294300000000, -0.0093992700000000, -0.0185105800000000 ] - [ 0.0010207800000000, -0.0099207600000000, -0.0178826600000000 ] - [ 0.0444653400000000, -0.0235414200000000, -0.1281103300000000 ] - [ 0.0150946300000000, -0.0110679000000000, -0.0010070000000000 ] - [ 0.0152379000000000, -0.0102772600000000, -0.0004146400000000 ] - [ 0.0155187100000000, -0.0102528200000000, -0.0007688200000000 ] - [ -0.0153408500000000, -0.0102130900000000, 0.0011223500000000 ] - [ -0.0151955500000000, -0.0102962000000000, 0.0007857300000000 ] - [ -0.0154713900000000, -0.0102597300000000, 0.0011251600000000 ] - [ -0.0152789600000000, -0.0103323200000000, 0.0008507000000000 ] - [ 0.0002537500000000, 0.0137628800000000, 0.0083931100000000 ] - [ 0.0005819100000000, 0.0145007900000000, 0.0059351200000000 ] - [ -0.0007051300000000, 0.0141812700000000, 0.0060190900000000 ] - [ -0.0008261300000000, 0.0142430800000000, 0.0059446900000000 ] - [ -0.0001835400000000, 0.0109743500000000, -0.0071158000000000 ] - [ 0.0007954100000000, 0.0141655100000000, -0.0054909200000000 ] - [ 0.0007624600000000, 0.0144499700000000, -0.0057504600000000 ] - [ 0.0007034400000000, 0.0143322000000000, -0.0055295200000000 ] - [ 0.0011036400000000, -0.0181062300000000, -0.0015576800000000 ] - [ 0.0007466500000000, -0.0145177200000000, -0.0064099100000000 ] - [ 0.0005108500000000, -0.0137573700000000, -0.0054049100000000 ] - [ 0.0008928300000000, -0.0146528300000000, -0.0058389600000000 ] - [ -0.0009948900000000, -0.0143522500000000, 0.0054296100000000 ] - [ -0.0005723000000000, -0.0143724400000000, 0.0057389500000000 ] - [ -0.0004743900000000, -0.0144860700000000, 0.0058239100000000 ] - [ -0.0011091600000000, -0.0140747000000000, 0.0057757100000000 ] - [ -0.0005403200000000, 0.0033265300000000, 0.0001873400000000 ] - [ -0.0069105300000000, -0.0016414900000000, 0.0074001900000000 ] - [ -0.0003264900000000, -0.0001100400000000, 0.0027011700000000 ] - [ -0.0009679200000000, 0.0030026800000000, 0.0010441800000000 ] - [ 0.0004120300000000, 0.0024890500000000, -0.0008498200000000 ] - [ 0.0006282100000000, 0.0025933700000000, -0.0009789000000000 ] - [ 0.0003326000000000, 0.0022749700000000, -0.0006449800000000 ] - [ 0.0007636300000000, 0.0021384700000000, -0.0008158500000000 ] - [ 0.0007699400000000, -0.0012597400000000, -0.0005473700000000 ] - [ -0.0002969700000000, -0.0018845500000000, -0.0004398100000000 ] - [ 0.0004907700000000, -0.0025928900000000, -0.0006120300000000 ] - [ 0.0004466900000000, -0.0023903600000000, -0.0005452100000000 ] - [ -0.0018651700000000, -0.0015509300000000, -0.0040552500000000 ] - [ -0.0009225000000000, -0.0012587100000000, -0.0019170000000000 ] - [ -0.0004948400000000, -0.0022855800000000, 0.0009383500000000 ] - [ -0.0004342600000000, -0.0022453500000000, 0.0010407000000000 ] - [ -0.0085552300000000, 0.0122530600000000, -0.0199164900000000 ] - [ -0.0077899700000000, 0.0119538700000000, -0.0204155900000000 ] - [ -0.0076686700000000, 0.0125496200000000, -0.0202303400000000 ] - [ -0.0076442600000000, 0.0122285400000000, -0.0206082900000000 ] - [ 0.0118573500000000, 0.0175297100000000, 0.0251427500000000 ] - [ 0.0077161900000000, 0.0120830700000000, 0.0211537600000000 ] - [ 0.0077657700000000, 0.0122376000000000, 0.0203763400000000 ] - [ 0.0077722200000000, 0.0128398800000000, 0.0201209700000000 ] - [ -0.0169415300000000, 0.0155550300000000, 0.0520056500000000 ] - [ 0.0075301800000000, -0.0121945700000000, 0.0195974000000000 ] - [ 0.0077633600000000, -0.0122988400000000, 0.0206038200000000 ] - [ 0.0078751600000000, -0.0127872800000000, 0.0204668200000000 ] - [ -0.0077784200000000, -0.0120065000000000, -0.0205417700000000 ] - [ -0.0078575100000000, -0.0123586000000000, -0.0201129300000000 ] - [ -0.0081166100000000, -0.0123471000000000, -0.0203729500000000 ] - [ -0.0079242400000000, -0.0123532700000000, -0.0202182800000000 ] - [ -0.0089159400000000, -0.0051713600000000, -0.0216360200000000 ] - [ -0.0067209800000000, -0.0049158400000000, -0.0222178200000000 ] - [ -0.0069672100000000, -0.0053910700000000, -0.0223423300000000 ] - [ -0.0028524200000000, -0.0124356000000000, -0.0181879000000000 ] - [ 0.0070900200000000, -0.0050766400000000, 0.0206158100000000 ] - [ 0.0061392500000000, -0.0057003600000000, 0.0224293300000000 ] - [ 0.0066734200000000, -0.0054067200000000, 0.0222927700000000 ] - [ 0.0063751900000000, -0.0053287100000000, 0.0221562300000000 ] - [ 0.0066070600000000, 0.0049130200000000, 0.0226652800000000 ] - [ 0.0070202300000000, 0.0048568200000000, 0.0224984100000000 ] - [ 0.0073571100000000, 0.0052156600000000, 0.0224848400000000 ] - [ 0.0067795900000000, 0.0051360500000000, 0.0221642000000000 ] - [ -0.0055118100000000, 0.0030808200000000, -0.0277706100000000 ] - [ -0.0099772000000000, 0.0016033400000000, -0.0243455100000000 ] - [ -0.0065506200000000, 0.0053746300000000, -0.0220730700000000 ] - [ -0.0066677700000000, 0.0054760600000000, -0.0218304500000000 ] - [ 0.0152306400000000, 0.0125720400000000, 0.0046218200000000 ] - [ 0.0152198000000000, 0.0103129600000000, -0.0008681800000000 ] - [ 0.0132516800000000, 0.0089883200000000, 0.0041413100000000 ] - [ 0.0157620800000000, 0.0100823200000000, -0.0007643100000000 ] - [ -0.0152559900000000, 0.0106793300000000, 0.0003113300000000 ] - [ -0.0152734900000000, 0.0100292900000000, 0.0010089000000000 ] - [ -0.0153688200000000, 0.0102825000000000, 0.0009566000000000 ] - [ -0.0154889400000000, 0.0102168000000000, 0.0010263500000000 ] - [ 0.0134505900000000, -0.0032067800000000, 0.0096612100000000 ] - [ 0.0113257900000000, -0.0101118700000000, 0.0344212700000000 ] - [ 0.0123696000000000, -0.0041004800000000, 0.0080302800000000 ] - [ 0.0127687300000000, -0.0043093900000000, 0.0080988500000000 ] - [ -0.0129195400000000, -0.0034995300000000, -0.0083848700000000 ] - [ -0.0113497100000000, -0.0036440400000000, -0.0094074500000000 ] - [ -0.0126197600000000, -0.0033351700000000, -0.0091974600000000 ] - [ -0.0124889000000000, -0.0035317600000000, -0.0092906700000000 ] - [ -0.0126543500000000, 0.0036923600000000, -0.0090110900000000 ] - [ -0.0129772100000000, 0.0035462800000000, -0.0088476200000000 ] - [ -0.0125782500000000, 0.0036665600000000, -0.0090279200000000 ] - [ -0.0130332200000000, 0.0040372600000000, -0.0087253600000000 ] - [ 0.0147388100000000, 0.0050764800000000, 0.0111293100000000 ] - [ 0.0033490200000000, -0.0002830600000000, 0.0311317000000000 ] - [ 0.0118999600000000, 0.0040009200000000, 0.0088595800000000 ] - [ 0.0128118400000000, 0.0031896800000000, 0.0073833700000000 ] - [ -0.0006001400000000, -0.0000872100000000, 0.0010178900000000 ] - [ -0.0003852100000000, -0.0023006600000000, 0.0013141700000000 ] - [ 0.0000372300000000, 0.0000955400000000, -0.0003667900000000 ] - [ -0.0004490000000000, 0.0001349800000000, -0.0006364500000000 ] - [ -0.0001383600000000, 0.0006898900000000, -0.0001180200000000 ] - [ 0.0006270800000000, -0.0007488200000000, -0.0003147800000000 ] - [ 0.0004275600000000, 0.0006790800000000, -0.0005053800000000 ] - [ -0.0005048600000000, 0.0001562600000000, -0.0004580800000000 ]- atom: 17 displacement: [ 0.0019892822674104, 0.0000000000000000, -0.0098001406143262 ] forces: - [ 0.0054292100000000, 0.0067162100000000, -0.0228516100000000 ] - [ -0.0042639500000000, 0.0091153700000000, -0.0215267100000000 ] - [ 0.0008182900000000, 0.0103083400000000, -0.0186605400000000 ] - [ 0.0007913700000000, 0.0091552200000000, -0.0182906500000000 ] - [ -0.0008739300000000, 0.0098500900000000, 0.0184507800000000 ] - [ -0.0010513300000000, 0.0098463200000000, 0.0184330200000000 ] - [ -0.0011148000000000, 0.0098345000000000, 0.0184086800000000 ] - [ -0.0008409400000000, 0.0097642300000000, 0.0184000900000000 ] - [ -0.0009220500000000, -0.0097281100000000, 0.0185673400000000 ] - [ -0.0008697200000000, -0.0097966600000000, 0.0184894100000000 ] - [ -0.0008832200000000, -0.0096256700000000, 0.0184200200000000 ] - [ -0.0013354100000000, -0.0098108300000000, 0.0184994000000000 ] - [ -0.0145360900000000, -0.0157369200000000, -0.0386017800000000 ] - [ 0.0066196400000000, -0.0135869000000000, -0.0179126100000000 ] - [ 0.0010658200000000, -0.0101110100000000, -0.0183306500000000 ] - [ 0.0008640000000000, -0.0095761000000000, -0.0189670200000000 ] - [ -0.0135481600000000, 0.0038076900000000, 0.1264999400000000 ] - [ 0.0155354500000000, -0.0094784700000000, -0.0007392900000000 ] - [ 0.0154046100000000, -0.0102627200000000, -0.0013299800000000 ] - [ 0.0151201500000000, -0.0102835500000000, -0.0009754300000000 ] - [ -0.0153017000000000, -0.0103239600000000, 0.0006210600000000 ] - [ -0.0154473400000000, -0.0102419100000000, 0.0009576200000000 ] - [ -0.0151701900000000, -0.0102796500000000, 0.0006188500000000 ] - [ -0.0153624700000000, -0.0102038900000000, 0.0008953700000000 ] - [ -0.0016186900000000, 0.0148442000000000, 0.0032244800000000 ] - [ -0.0019310900000000, 0.0141195700000000, 0.0056963000000000 ] - [ -0.0006588600000000, 0.0144278200000000, 0.0056066000000000 ] - [ -0.0005311200000000, 0.0143548800000000, 0.0056858100000000 ] - [ 0.0015215700000000, 0.0176271200000000, -0.0044776700000000 ] - [ 0.0005752500000000, 0.0144253400000000, -0.0061254300000000 ] - [ 0.0006027000000000, 0.0141562400000000, -0.0058797800000000 ] - [ 0.0006543600000000, 0.0142693600000000, -0.0060995700000000 ] - [ 0.0002676700000000, -0.0105561600000000, -0.0100234100000000 ] - [ 0.0006181700000000, -0.0140965000000000, -0.0052217200000000 ] - [ 0.0008556300000000, -0.0148542000000000, -0.0062131600000000 ] - [ 0.0004643600000000, -0.0139412000000000, -0.0057898000000000 ] - [ -0.0003768000000000, -0.0142522100000000, 0.0062060900000000 ] - [ -0.0007867800000000, -0.0142328000000000, 0.0058866700000000 ] - [ -0.0008889800000000, -0.0141206300000000, 0.0058031700000000 ] - [ -0.0002503300000000, -0.0145283000000000, 0.0058543800000000 ] - [ -0.0003897500000000, 0.0012624200000000, 0.0013339800000000 ] - [ 0.0058814300000000, 0.0061684600000000, -0.0057947700000000 ] - [ -0.0005821600000000, 0.0047377700000000, -0.0012010700000000 ] - [ 0.0000361600000000, 0.0015597500000000, 0.0004840100000000 ] - [ 0.0005169400000000, 0.0020849200000000, -0.0006759500000000 ] - [ 0.0003043300000000, 0.0019837800000000, -0.0005446400000000 ] - [ 0.0005970900000000, 0.0023011500000000, -0.0008801700000000 ] - [ 0.0001651700000000, 0.0024355600000000, -0.0007097400000000 ] - [ 0.0001551300000000, -0.0033058800000000, -0.0009843800000000 ] - [ 0.0012263800000000, -0.0026873100000000, -0.0010809500000000 ] - [ 0.0004347400000000, -0.0019857000000000, -0.0009067400000000 ] - [ 0.0004848100000000, -0.0021825300000000, -0.0009828100000000 ] - [ 0.0008937000000000, -0.0030490400000000, 0.0055503900000000 ] - [ 0.0000741400000000, -0.0033978000000000, 0.0034323700000000 ] - [ -0.0004304800000000, -0.0022895500000000, 0.0005830000000000 ] - [ -0.0004956100000000, -0.0023289800000000, 0.0004896700000000 ] - [ -0.0071156000000000, 0.0124817300000000, -0.0207932600000000 ] - [ -0.0078853600000000, 0.0127660200000000, -0.0203047700000000 ] - [ -0.0080025600000000, 0.0121794200000000, -0.0204850600000000 ] - [ -0.0080274400000000, 0.0125015700000000, -0.0201028300000000 ] - [ 0.0038816700000000, 0.0072618400000000, 0.0155946600000000 ] - [ 0.0079554100000000, 0.0126450700000000, 0.0195679800000000 ] - [ 0.0078986400000000, 0.0124897000000000, 0.0203378300000000 ] - [ 0.0078957800000000, 0.0118898900000000, 0.0205938000000000 ] - [ 0.0333014100000000, -0.0412229300000000, -0.0118608900000000 ] - [ 0.0081467800000000, -0.0125302300000000, 0.0211307700000000 ] - [ 0.0079077500000000, -0.0124299200000000, 0.0201160600000000 ] - [ 0.0077935700000000, -0.0119416400000000, 0.0202494400000000 ] - [ -0.0078973400000000, -0.0127199100000000, -0.0201731900000000 ] - [ -0.0078088100000000, -0.0123731700000000, -0.0206011600000000 ] - [ -0.0075655000000000, -0.0123805300000000, -0.0203412700000000 ] - [ -0.0077475800000000, -0.0123738700000000, -0.0204968700000000 ] - [ -0.0045893400000000, -0.0053790300000000, -0.0227656400000000 ] - [ -0.0067609900000000, -0.0056491500000000, -0.0222102600000000 ] - [ -0.0065136900000000, -0.0051793700000000, -0.0220828800000000 ] - [ -0.0106544700000000, 0.0019120000000000, -0.0262512800000000 ] - [ 0.0063835300000000, -0.0054924800000000, 0.0237842900000000 ] - [ 0.0073472500000000, -0.0048737000000000, 0.0220043800000000 ] - [ 0.0068058300000000, -0.0051624000000000, 0.0221266900000000 ] - [ 0.0071070400000000, -0.0052446100000000, 0.0222704800000000 ] - [ 0.0068780000000000, 0.0056604300000000, 0.0217549400000000 ] - [ 0.0064638400000000, 0.0057188000000000, 0.0219196500000000 ] - [ 0.0061411300000000, 0.0053540600000000, 0.0219429500000000 ] - [ 0.0066976000000000, 0.0054346200000000, 0.0222574900000000 ] - [ -0.0079842300000000, 0.0075458900000000, -0.0166493500000000 ] - [ -0.0034876900000000, 0.0089714400000000, -0.0201545800000000 ] - [ -0.0069298800000000, 0.0051984000000000, -0.0223410000000000 ] - [ -0.0068109600000000, 0.0050915500000000, -0.0225970700000000 ] - [ 0.0154001700000000, 0.0080009700000000, -0.0062826600000000 ] - [ 0.0154066900000000, 0.0102256600000000, -0.0008770600000000 ] - [ 0.0174195800000000, 0.0115780200000000, -0.0059492000000000 ] - [ 0.0148715700000000, 0.0104520700000000, -0.0009893100000000 ] - [ -0.0153832300000000, 0.0098566700000000, 0.0014290600000000 ] - [ -0.0153650800000000, 0.0105079200000000, 0.0007401000000000 ] - [ -0.0152777900000000, 0.0102579700000000, 0.0007898800000000 ] - [ -0.0151533100000000, 0.0103252200000000, 0.0007176500000000 ] - [ 0.0118183700000000, -0.0039289900000000, 0.0081218100000000 ] - [ 0.0136717500000000, 0.0036988000000000, -0.0176916800000000 ] - [ 0.0128980600000000, -0.0030507200000000, 0.0097220600000000 ] - [ 0.0125049200000000, -0.0028519800000000, 0.0096496000000000 ] - [ -0.0123505800000000, -0.0036526600000000, -0.0093659100000000 ] - [ -0.0139189700000000, -0.0035108100000000, -0.0083406100000000 ] - [ -0.0126512100000000, -0.0038100500000000, -0.0085709400000000 ] - [ -0.0127796800000000, -0.0036149300000000, -0.0084751400000000 ] - [ -0.0126161700000000, 0.0034573600000000, -0.0087498900000000 ] - [ -0.0122971800000000, 0.0036065700000000, -0.0089180100000000 ] - [ -0.0126893800000000, 0.0034769900000000, -0.0087226400000000 ] - [ -0.0122453500000000, 0.0031128400000000, -0.0090264600000000 ] - [ 0.0105716100000000, 0.0020893600000000, 0.0066471800000000 ] - [ 0.0210164300000000, 0.0068623200000000, -0.0118839800000000 ] - [ 0.0133880000000000, 0.0031311400000000, 0.0088741600000000 ] - [ 0.0124511300000000, 0.0039675500000000, 0.0103810900000000 ] - [ 0.0005896100000000, 0.0001174500000000, -0.0010065600000000 ] - [ 0.0003687400000000, 0.0022935000000000, -0.0013000100000000 ] - [ -0.0000372800000000, -0.0000934200000000, 0.0003670700000000 ] - [ 0.0004518700000000, -0.0001381800000000, 0.0006370200000000 ] - [ 0.0001540300000000, -0.0007650300000000, 0.0000602500000000 ] - [ -0.0006259700000000, 0.0007566200000000, 0.0003187000000000 ] - [ -0.0004267500000000, -0.0006509100000000, 0.0004792900000000 ] - [ 0.0004952800000000, -0.0001579300000000, 0.0004546300000000 ]- atom: 25 displacement: [ 0.0099999991596329, 0.0000000000000000, 0.0000040996757033 ] forces: - [ 0.0005471100000000, 0.0098475400000000, -0.0181915100000000 ] - [ 0.0012325100000000, 0.0096085700000000, -0.0190285100000000 ] - [ 0.0010711700000000, 0.0096013800000000, -0.0183620400000000 ] - [ 0.0005770100000000, 0.0104889800000000, -0.0183800800000000 ] - [ -0.0008042300000000, 0.0106018900000000, 0.0177709600000000 ] - [ 0.0051173100000000, 0.0024434000000000, 0.0201138200000000 ] - [ -0.0010236700000000, 0.0097807600000000, 0.0186197500000000 ] - [ -0.0009449900000000, 0.0097035500000000, 0.0184562300000000 ] - [ -0.0006514200000000, -0.0098543100000000, 0.0185306700000000 ] - [ -0.0009927000000000, -0.0096125700000000, 0.0186804200000000 ] - [ -0.0025118100000000, -0.0049958400000000, 0.0218171400000000 ] - [ -0.0005993000000000, -0.0114006400000000, 0.0173606300000000 ] - [ 0.0015099700000000, -0.0103900600000000, -0.0181413500000000 ] - [ 0.0009657300000000, -0.0097614100000000, -0.0186904500000000 ] - [ 0.0008233600000000, -0.0096875000000000, -0.0184043500000000 ] - [ 0.0008967000000000, -0.0097227200000000, -0.0184865600000000 ] - [ 0.0155364600000000, -0.0099363600000000, 0.0001111800000000 ] - [ 0.0127985200000000, -0.0113156500000000, -0.0001018400000000 ] - [ 0.0153104300000000, -0.0102887900000000, -0.0009032900000000 ] - [ 0.0152932900000000, -0.0101314800000000, -0.0010358300000000 ] - [ -0.0186669800000000, -0.0124258600000000, -0.0006832100000000 ] - [ -0.0136132000000000, -0.0092953300000000, 0.0013391000000000 ] - [ -0.0154535200000000, -0.0102213800000000, 0.0009265500000000 ] - [ -0.0152835600000000, -0.0102993300000000, 0.0009031700000000 ] - [ -0.1717259100000000, 0.0228743200000000, 0.0151923700000000 ] - [ 0.0026121400000000, 0.0142866100000000, 0.0058960000000000 ] - [ -0.0005768000000000, 0.0143422400000000, 0.0057917300000000 ] - [ -0.0006558700000000, 0.0144684900000000, 0.0058334200000000 ] - [ 0.0008833400000000, 0.0144630500000000, -0.0056472600000000 ] - [ 0.0005535700000000, 0.0143282100000000, -0.0059408100000000 ] - [ 0.0006385200000000, 0.0143451600000000, -0.0059047400000000 ] - [ 0.0006195100000000, 0.0142236800000000, -0.0058557700000000 ] - [ 0.0015800200000000, -0.0133627600000000, -0.0061457300000000 ] - [ -0.0017048200000000, -0.0133655100000000, -0.0071215000000000 ] - [ 0.0005512700000000, -0.0144827400000000, -0.0055919300000000 ] - [ 0.0046050500000000, -0.0126054800000000, -0.0129957100000000 ] - [ -0.0007619800000000, -0.0145142900000000, 0.0057736900000000 ] - [ -0.0004567400000000, -0.0144216300000000, 0.0061709200000000 ] - [ -0.0007617300000000, -0.0142620100000000, 0.0057828800000000 ] - [ -0.0004543700000000, -0.0139078900000000, 0.0062184900000000 ] - [ -0.0000159300000000, 0.0026345800000000, -0.0005535600000000 ] - [ -0.0004448000000000, 0.0017049300000000, 0.0008318600000000 ] - [ -0.0030111500000000, 0.0027301300000000, 0.0010185700000000 ] - [ -0.0012766300000000, 0.0024837700000000, 0.0009134600000000 ] - [ 0.0004868200000000, 0.0024156900000000, -0.0005901900000000 ] - [ 0.0008823800000000, 0.0021856700000000, -0.0009646400000000 ] - [ 0.0003220900000000, 0.0024526500000000, -0.0005101700000000 ] - [ 0.0004244600000000, 0.0021308500000000, -0.0008792800000000 ] - [ 0.0645027200000000, 0.0169900900000000, 0.0186701800000000 ] - [ 0.0125716300000000, -0.0070307300000000, -0.0056766900000000 ] - [ 0.0005153300000000, -0.0023342700000000, -0.0006015800000000 ] - [ 0.0003747200000000, -0.0022365300000000, -0.0007967300000000 ] - [ -0.0005681500000000, -0.0024833300000000, 0.0008491800000000 ] - [ -0.0004720300000000, -0.0023381400000000, 0.0009647600000000 ] - [ -0.0004696700000000, -0.0023849100000000, 0.0006635200000000 ] - [ -0.0005166800000000, -0.0022449000000000, 0.0006763100000000 ] - [ -0.0080034000000000, 0.0123590600000000, -0.0203593000000000 ] - [ -0.0070348800000000, 0.0118399500000000, -0.0196671600000000 ] - [ -0.0108303400000000, 0.0109057600000000, -0.0207531200000000 ] - [ -0.0073199500000000, 0.0128525400000000, -0.0201526600000000 ] - [ 0.0079079900000000, 0.0124058400000000, 0.0202789600000000 ] - [ 0.0075079400000000, 0.0121427900000000, 0.0209723800000000 ] - [ 0.0077990500000000, 0.0123924000000000, 0.0203476400000000 ] - [ 0.0078512800000000, 0.0123588300000000, 0.0203415800000000 ] - [ 0.0138202800000000, -0.0171379700000000, 0.0204143100000000 ] - [ 0.0107696500000000, -0.0074565900000000, 0.0191213700000000 ] - [ 0.0079627900000000, -0.0121954000000000, 0.0203558600000000 ] - [ 0.0077129000000000, -0.0124503200000000, 0.0203188800000000 ] - [ -0.0077104800000000, -0.0125495800000000, -0.0200136500000000 ] - [ -0.0085382900000000, -0.0121902100000000, -0.0196595800000000 ] - [ -0.0077823100000000, -0.0123381600000000, -0.0203432100000000 ] - [ -0.0079084700000000, -0.0123362800000000, -0.0203693900000000 ] - [ -0.0067399300000000, -0.0053735900000000, -0.0221271100000000 ] - [ -0.0062570800000000, -0.0052458600000000, -0.0223719800000000 ] - [ -0.0067837100000000, -0.0053384000000000, -0.0222430100000000 ] - [ -0.0068016500000000, -0.0050236000000000, -0.0222646700000000 ] - [ 0.0130899700000000, -0.0059296500000000, 0.0170880900000000 ] - [ 0.0097469300000000, -0.0053370300000000, 0.0278897300000000 ] - [ 0.0069296100000000, -0.0049947000000000, 0.0222758500000000 ] - [ 0.0066112000000000, -0.0049030900000000, 0.0221216500000000 ] - [ 0.0066559500000000, 0.0056597400000000, 0.0218475200000000 ] - [ 0.0066728100000000, 0.0051817700000000, 0.0222841300000000 ] - [ 0.0067394200000000, 0.0052285800000000, 0.0221933500000000 ] - [ 0.0066838400000000, 0.0051866600000000, 0.0222119400000000 ] - [ 0.0215088700000000, -0.0171035400000000, -0.0392046200000000 ] - [ -0.0066233100000000, 0.0049098400000000, -0.0227709200000000 ] - [ -0.0068856700000000, 0.0052130600000000, -0.0225154400000000 ] - [ -0.0066991800000000, 0.0050624600000000, -0.0222327700000000 ] - [ 0.0154787200000000, 0.0104503100000000, -0.0006257100000000 ] - [ 0.0158692400000000, 0.0100308000000000, -0.0011953100000000 ] - [ 0.0155430800000000, 0.0102738600000000, -0.0011385700000000 ] - [ 0.0152655200000000, 0.0105430300000000, -0.0007707400000000 ] - [ -0.0183850100000000, 0.0109933500000000, 0.0006966700000000 ] - [ -0.0159265100000000, 0.0098767800000000, 0.0008175800000000 ] - [ -0.0150786300000000, 0.0104261900000000, 0.0007436800000000 ] - [ -0.0152776800000000, 0.0100062300000000, 0.0010968500000000 ] - [ 0.0130499200000000, -0.0036417400000000, 0.0086927800000000 ] - [ 0.0130685900000000, -0.0043470500000000, 0.0088270600000000 ] - [ 0.0125686600000000, -0.0032562700000000, 0.0093525800000000 ] - [ 0.0128932700000000, -0.0040557900000000, 0.0088733800000000 ] - [ -0.0124808200000000, -0.0036962800000000, -0.0089841600000000 ] - [ 0.0115334300000000, -0.0098374800000000, 0.0001134300000000 ] - [ -0.0124199300000000, -0.0033810500000000, -0.0090683700000000 ] - [ -0.0125621600000000, -0.0035967300000000, -0.0089033500000000 ] - [ -0.0130228600000000, 0.0035878500000000, -0.0089886600000000 ] - [ -0.0121787600000000, 0.0039285500000000, -0.0090891500000000 ] - [ -0.0136441300000000, 0.0005703400000000, -0.0112377300000000 ] - [ -0.0118615700000000, 0.0039428100000000, -0.0083330600000000 ] - [ 0.0089155900000000, 0.0090360300000000, 0.0131056300000000 ] - [ 0.0117821300000000, 0.0025321200000000, 0.0081325800000000 ] - [ 0.0126306500000000, 0.0034280400000000, 0.0096573800000000 ] - [ 0.0125827900000000, 0.0036450700000000, 0.0089349500000000 ] - [ -0.0001768000000000, 0.0001993800000000, -0.0004047200000000 ] - [ -0.0000308300000000, 0.0001027600000000, 0.0000052800000000 ] - [ -0.0000324400000000, -0.0000882800000000, -0.0000373200000000 ] - [ 0.0000231500000000, -0.0000409800000000, 0.0001310700000000 ] - [ -0.0005561700000000, -0.0004531000000000, -0.0003080900000000 ] - [ 0.0288393500000000, 0.0083208500000000, -0.0129157900000000 ] - [ -0.0000530600000000, -0.0005465100000000, -0.0005556300000000 ] - [ 0.0002069300000000, -0.0005702600000000, 0.0006691700000000 ]- atom: 25 displacement: [ -0.0099999991596329, 0.0000000000000000, -0.0000040996757033 ] forces: - [ 0.0013325400000000, 0.0096522100000000, -0.0186424000000000 ] - [ 0.0006637700000000, 0.0099130600000000, -0.0178222100000000 ] - [ 0.0008215000000000, 0.0099034600000000, -0.0184776900000000 ] - [ 0.0013136500000000, 0.0090159000000000, -0.0184635500000000 ] - [ -0.0010725800000000, 0.0089055100000000, 0.0190593500000000 ] - [ -0.0069729800000000, 0.0170317300000000, 0.0167299400000000 ] - [ -0.0008689900000000, 0.0097302500000000, 0.0182215000000000 ] - [ -0.0009424800000000, 0.0098031800000000, 0.0183858600000000 ] - [ -0.0012334100000000, -0.0096557600000000, 0.0183167200000000 ] - [ -0.0008997800000000, -0.0098883800000000, 0.0181653300000000 ] - [ 0.0006469800000000, -0.0144686300000000, 0.0150601900000000 ] - [ -0.0012962000000000, -0.0081579900000000, 0.0194428100000000 ] - [ 0.0003722200000000, -0.0091210800000000, -0.0187067100000000 ] - [ 0.0009230100000000, -0.0097402400000000, -0.0181583100000000 ] - [ 0.0010649100000000, -0.0098157100000000, -0.0184372600000000 ] - [ 0.0009902300000000, -0.0097744100000000, -0.0183563500000000 ] - [ 0.0150933500000000, -0.0105893400000000, -0.0018941900000000 ] - [ 0.0178325200000000, -0.0092064800000000, -0.0016450500000000 ] - [ 0.0153293900000000, -0.0102459100000000, -0.0008465800000000 ] - [ 0.0153431100000000, -0.0103979700000000, -0.0007174200000000 ] - [ -0.0120011900000000, -0.0081828600000000, 0.0024130000000000 ] - [ -0.0170082000000000, -0.0112289900000000, 0.0004339600000000 ] - [ -0.0151861500000000, -0.0103173500000000, 0.0008171600000000 ] - [ -0.0153496600000000, -0.0102332500000000, 0.0008403700000000 ] - [ 0.1724831400000000, 0.0066117500000000, -0.0025052800000000 ] - [ -0.0038984400000000, 0.0143320700000000, 0.0057494900000000 ] - [ -0.0007815200000000, 0.0142591200000000, 0.0058327400000000 ] - [ -0.0006978300000000, 0.0141197000000000, 0.0057914800000000 ] - [ 0.0004760000000000, 0.0141313000000000, -0.0059798900000000 ] - [ 0.0008022200000000, 0.0142747700000000, -0.0056880000000000 ] - [ 0.0007201500000000, 0.0142567100000000, -0.0057250000000000 ] - [ 0.0007292000000000, 0.0143735500000000, -0.0057696100000000 ] - [ -0.0002422000000000, -0.0152817000000000, -0.0054516300000000 ] - [ 0.0030506800000000, -0.0152248800000000, -0.0044924200000000 ] - [ 0.0008128000000000, -0.0141295700000000, -0.0060220800000000 ] - [ -0.0032510700000000, -0.0159902500000000, 0.0013473800000000 ] - [ -0.0005914200000000, -0.0140854200000000, 0.0058525400000000 ] - [ -0.0008980400000000, -0.0141748300000000, 0.0054575600000000 ] - [ -0.0005900800000000, -0.0143446900000000, 0.0058391700000000 ] - [ -0.0009015800000000, -0.0146951600000000, 0.0054051100000000 ] - [ -0.0009164000000000, 0.0019334100000000, 0.0020595100000000 ] - [ -0.0004710400000000, 0.0028621200000000, 0.0006871300000000 ] - [ 0.0020309100000000, 0.0018669400000000, 0.0005011800000000 ] - [ 0.0003651100000000, 0.0020886300000000, 0.0006401200000000 ] - [ 0.0004384900000000, 0.0021643900000000, -0.0009231200000000 ] - [ 0.0000332100000000, 0.0023850600000000, -0.0005536400000000 ] - [ 0.0006022800000000, 0.0021242500000000, -0.0010093500000000 ] - [ 0.0004992400000000, 0.0024393100000000, -0.0006451900000000 ] - [ -0.0663888600000000, -0.0225922600000000, -0.0212962200000000 ] - [ -0.0113897000000000, 0.0023507400000000, 0.0040309700000000 ] - [ 0.0004026100000000, -0.0022388400000000, -0.0009184500000000 ] - [ 0.0005503700000000, -0.0023377800000000, -0.0007178700000000 ] - [ -0.0003553100000000, -0.0020910400000000, 0.0006724400000000 ] - [ -0.0004552900000000, -0.0022418800000000, 0.0005533300000000 ] - [ -0.0004452700000000, -0.0021902600000000, 0.0008517600000000 ] - [ -0.0004096700000000, -0.0023315400000000, 0.0008414300000000 ] - [ -0.0076745700000000, 0.0123845800000000, -0.0203666900000000 ] - [ -0.0086187200000000, 0.0128826400000000, -0.0210158600000000 ] - [ -0.0048793400000000, 0.0138252300000000, -0.0199885900000000 ] - [ -0.0083407300000000, 0.0119025700000000, -0.0205475200000000 ] - [ 0.0077670700000000, 0.0123210000000000, 0.0204295400000000 ] - [ 0.0081592900000000, 0.0125851200000000, 0.0197346400000000 ] - [ 0.0078674900000000, 0.0123393800000000, 0.0203639700000000 ] - [ 0.0078163100000000, 0.0123826200000000, 0.0203619500000000 ] - [ 0.0017765700000000, -0.0075058500000000, 0.0203690000000000 ] - [ 0.0049209000000000, -0.0171794800000000, 0.0216030400000000 ] - [ 0.0077114400000000, -0.0125371400000000, 0.0203496900000000 ] - [ 0.0079532900000000, -0.0122843700000000, 0.0203884800000000 ] - [ -0.0079535500000000, -0.0121882400000000, -0.0206888700000000 ] - [ -0.0071403300000000, -0.0125454300000000, -0.0210626000000000 ] - [ -0.0078846700000000, -0.0123964500000000, -0.0203657800000000 ] - [ -0.0077631100000000, -0.0123915700000000, -0.0203435200000000 ] - [ -0.0067345000000000, -0.0052055700000000, -0.0222875400000000 ] - [ -0.0072217300000000, -0.0053266900000000, -0.0220459700000000 ] - [ -0.0066926900000000, -0.0052379100000000, -0.0221724000000000 ] - [ -0.0066713000000000, -0.0055563900000000, -0.0221488300000000 ] - [ 0.0002927600000000, -0.0045692600000000, 0.0274235600000000 ] - [ 0.0037563900000000, -0.0051995100000000, 0.0166401600000000 ] - [ 0.0065501500000000, -0.0055822800000000, 0.0221349100000000 ] - [ 0.0068640100000000, -0.0056964000000000, 0.0222884400000000 ] - [ 0.0068221200000000, 0.0049147600000000, 0.0225694900000000 ] - [ 0.0068011900000000, 0.0053833900000000, 0.0221411500000000 ] - [ 0.0067395300000000, 0.0053491400000000, 0.0222220200000000 ] - [ 0.0067888200000000, 0.0053921400000000, 0.0222019600000000 ] - [ -0.0352086000000000, 0.0280901800000000, -0.0049159800000000 ] - [ -0.0068444700000000, 0.0056667300000000, -0.0216510000000000 ] - [ -0.0065978000000000, 0.0053569000000000, -0.0219158100000000 ] - [ -0.0067786700000000, 0.0055115500000000, -0.0221843300000000 ] - [ 0.0151603000000000, 0.0100834500000000, -0.0011187700000000 ] - [ 0.0147550800000000, 0.0105075600000000, -0.0005471400000000 ] - [ 0.0150964800000000, 0.0102707400000000, -0.0006012100000000 ] - [ 0.0153709800000000, 0.0100009300000000, -0.0009674300000000 ] - [ -0.0123003800000000, 0.0095360800000000, 0.0010699600000000 ] - [ -0.0146886000000000, 0.0106774900000000, 0.0009305600000000 ] - [ -0.0155654300000000, 0.0101099700000000, 0.0010028600000000 ] - [ -0.0153645400000000, 0.0105256700000000, 0.0006412100000000 ] - [ 0.0122248200000000, -0.0035066900000000, 0.0090654700000000 ] - [ 0.0121896700000000, -0.0027757800000000, 0.0089323600000000 ] - [ 0.0126997600000000, -0.0038876100000000, 0.0084148400000000 ] - [ 0.0123733600000000, -0.0030994000000000, 0.0088841900000000 ] - [ -0.0129700600000000, -0.0035599500000000, -0.0087507000000000 ] - [ -0.0361968100000000, 0.0021080400000000, -0.0176281200000000 ] - [ -0.0128452300000000, -0.0037545400000000, -0.0086960000000000 ] - [ -0.0127054600000000, -0.0035459600000000, -0.0088555400000000 ] - [ -0.0122543800000000, 0.0035613400000000, -0.0087739000000000 ] - [ -0.0130789100000000, 0.0032201600000000, -0.0086873100000000 ] - [ -0.0116266500000000, 0.0065954700000000, -0.0065120400000000 ] - [ -0.0134119100000000, 0.0032135800000000, -0.0094171600000000 ] - [ 0.0163816200000000, -0.0018466800000000, 0.0046907000000000 ] - [ 0.0134623900000000, 0.0045948000000000, 0.0096247800000000 ] - [ 0.0126524000000000, 0.0036916700000000, 0.0081349700000000 ] - [ 0.0126719100000000, 0.0034921200000000, 0.0088236000000000 ] - [ 0.0001720500000000, -0.0001872900000000, 0.0004013300000000 ] - [ 0.0000302400000000, -0.0001046300000000, -0.0000049500000000 ] - [ 0.0000351700000000, 0.0000941700000000, 0.0000462600000000 ] - [ -0.0000257700000000, 0.0000342600000000, -0.0001317600000000 ] - [ 0.0003667800000000, 0.0004635700000000, 0.0002128800000000 ] - [ -0.0282295000000000, -0.0080854800000000, 0.0122508800000000 ] - [ 0.0000276700000000, 0.0005656900000000, 0.0005762500000000 ] - [ -0.0001978600000000, 0.0005672200000000, -0.0006658000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015756200000000, 0.0100770800000000, -0.0177040600000000 ] - [ 0.0011868300000000, 0.0100441500000000, -0.0191586100000000 ] - [ 0.0008526600000000, 0.0099088800000000, -0.0185402300000000 ] - [ 0.0013089200000000, 0.0098305400000000, -0.0183717800000000 ] - [ 0.0000873300000000, 0.0101881800000000, 0.0184137900000000 ] - [ -0.0082582400000000, 0.0156174600000000, 0.0164672100000000 ] - [ -0.0010811100000000, 0.0098960500000000, 0.0184514800000000 ] - [ -0.0008372200000000, 0.0095584000000000, 0.0184724100000000 ] - [ -0.0014588700000000, -0.0095111500000000, 0.0182745100000000 ] - [ -0.0009331000000000, -0.0099106200000000, 0.0182613700000000 ] - [ 0.0053313700000000, -0.0045912000000000, 0.0232726100000000 ] - [ -0.0015804000000000, -0.0088424600000000, 0.0183003500000000 ] - [ 0.0006425900000000, -0.0092656000000000, -0.0185571900000000 ] - [ 0.0013470400000000, -0.0102080000000000, -0.0184534400000000 ] - [ 0.0008849200000000, -0.0095919000000000, -0.0186741400000000 ] - [ 0.0009109400000000, -0.0095747600000000, -0.0185183800000000 ] - [ 0.0155046700000000, -0.0097553400000000, -0.0013999900000000 ] - [ 0.0140984700000000, -0.0098763400000000, -0.0009134100000000 ] - [ 0.0153053000000000, -0.0101916700000000, -0.0010062800000000 ] - [ 0.0154864400000000, -0.0102003000000000, -0.0008963400000000 ] - [ -0.0173458200000000, -0.0030093000000000, 0.0038272200000000 ] - [ -0.0152737900000000, -0.0099254600000000, 0.0010144600000000 ] - [ -0.0151482600000000, -0.0102425500000000, 0.0007559900000000 ] - [ -0.0153128700000000, -0.0103744200000000, 0.0008413300000000 ] - [ 0.0075890200000000, -0.1259529300000000, -0.0029090200000000 ] - [ -0.0006884800000000, 0.0144277700000000, 0.0045346600000000 ] - [ -0.0006296900000000, 0.0144664300000000, 0.0057974600000000 ] - [ -0.0004870300000000, 0.0143525800000000, 0.0057635100000000 ] - [ 0.0005061600000000, 0.0141988400000000, -0.0060359900000000 ] - [ 0.0006408500000000, 0.0147412500000000, -0.0056963100000000 ] - [ 0.0006249100000000, 0.0143623400000000, -0.0059213800000000 ] - [ 0.0007397500000000, 0.0144038700000000, -0.0057882900000000 ] - [ 0.0016243400000000, -0.0114303000000000, -0.0073540400000000 ] - [ 0.0016007000000000, -0.0139225800000000, -0.0053003900000000 ] - [ 0.0004990300000000, -0.0155383800000000, -0.0051941300000000 ] - [ 0.0023473800000000, -0.0151541600000000, -0.0091831300000000 ] - [ -0.0007055400000000, -0.0141502200000000, 0.0056653900000000 ] - [ -0.0010605200000000, -0.0143422900000000, 0.0056544000000000 ] - [ -0.0004585000000000, -0.0141531000000000, 0.0059206900000000 ] - [ -0.0005439200000000, -0.0143454100000000, 0.0056091600000000 ] - [ 0.0000163100000000, 0.0025442700000000, 0.0017546100000000 ] - [ -0.0011725400000000, 0.0025590400000000, 0.0009701300000000 ] - [ -0.0005250700000000, 0.0043006500000000, -0.0036306400000000 ] - [ -0.0005897900000000, 0.0024143300000000, 0.0024203900000000 ] - [ 0.0001815300000000, 0.0022531600000000, -0.0012070900000000 ] - [ 0.0008361500000000, 0.0021389100000000, -0.0008917800000000 ] - [ 0.0006187000000000, 0.0022363700000000, -0.0006967800000000 ] - [ 0.0005217600000000, 0.0027091100000000, -0.0006026700000000 ] - [ 0.0181469300000000, 0.0150407600000000, 0.0050327700000000 ] - [ -0.0033407000000000, -0.0068448400000000, 0.0017426200000000 ] - [ 0.0004041500000000, -0.0025789600000000, -0.0003908000000000 ] - [ 0.0004010400000000, -0.0023898400000000, -0.0009422900000000 ] - [ -0.0005823100000000, -0.0020068700000000, 0.0009001100000000 ] - [ -0.0004637800000000, -0.0021063400000000, 0.0005320500000000 ] - [ -0.0004440900000000, -0.0021943500000000, 0.0008225700000000 ] - [ -0.0004366200000000, -0.0022775500000000, 0.0006771900000000 ] - [ -0.0073067600000000, 0.0116660000000000, -0.0200305200000000 ] - [ -0.0079833900000000, 0.0123468700000000, -0.0204223400000000 ] - [ -0.0090513700000000, 0.0099707900000000, -0.0192174300000000 ] - [ -0.0072298800000000, 0.0126439000000000, -0.0200342400000000 ] - [ 0.0078407600000000, 0.0124685500000000, 0.0202697500000000 ] - [ 0.0075283200000000, 0.0126670500000000, 0.0201716000000000 ] - [ 0.0080996400000000, 0.0124683200000000, 0.0203840700000000 ] - [ 0.0079102400000000, 0.0125771300000000, 0.0202881100000000 ] - [ 0.0009153300000000, -0.0085290900000000, 0.0181213000000000 ] - [ 0.0145825800000000, -0.0076588000000000, 0.0190884900000000 ] - [ 0.0079330800000000, -0.0123114500000000, 0.0206542200000000 ] - [ 0.0078603600000000, -0.0123691200000000, 0.0203543000000000 ] - [ -0.0073672800000000, -0.0114840500000000, -0.0214132000000000 ] - [ -0.0077861300000000, -0.0128624900000000, -0.0203991800000000 ] - [ -0.0078227300000000, -0.0122828000000000, -0.0203660500000000 ] - [ -0.0078705700000000, -0.0123203600000000, -0.0203902800000000 ] - [ -0.0067509500000000, -0.0052061000000000, -0.0222357800000000 ] - [ -0.0064144600000000, -0.0054221900000000, -0.0221487300000000 ] - [ -0.0069028400000000, -0.0050037800000000, -0.0222723500000000 ] - [ -0.0066579900000000, -0.0054248300000000, -0.0220962200000000 ] - [ 0.0080609300000000, -0.0131404700000000, 0.0213271400000000 ] - [ 0.0053722700000000, -0.0081884100000000, 0.0207005300000000 ] - [ 0.0071111900000000, -0.0051186300000000, 0.0225513300000000 ] - [ 0.0071014900000000, -0.0055312400000000, 0.0218446200000000 ] - [ 0.0068545900000000, 0.0051318700000000, 0.0228200900000000 ] - [ 0.0067843300000000, 0.0055925500000000, 0.0221599700000000 ] - [ 0.0066859200000000, 0.0054116000000000, 0.0221395200000000 ] - [ 0.0067109300000000, 0.0053792900000000, 0.0220211100000000 ] - [ -0.0299165300000000, 0.0526994700000000, 0.0058559600000000 ] - [ -0.0066117200000000, 0.0045025700000000, -0.0215788100000000 ] - [ -0.0068347700000000, 0.0050663300000000, -0.0226217000000000 ] - [ -0.0067922000000000, 0.0052702700000000, -0.0222989100000000 ] - [ 0.0152615900000000, 0.0103513900000000, -0.0006974500000000 ] - [ 0.0156459900000000, 0.0100485100000000, -0.0010368600000000 ] - [ 0.0150202000000000, 0.0101948400000000, -0.0008813400000000 ] - [ 0.0153646300000000, 0.0107027100000000, -0.0007953400000000 ] - [ -0.0144749200000000, 0.0123635100000000, -0.0027761400000000 ] - [ -0.0157145200000000, 0.0098959700000000, 0.0005869500000000 ] - [ -0.0149807900000000, 0.0103328300000000, 0.0014917900000000 ] - [ -0.0155549800000000, 0.0102456500000000, 0.0004580800000000 ] - [ 0.0127296700000000, -0.0041825200000000, 0.0087235400000000 ] - [ 0.0122964400000000, -0.0036453500000000, 0.0090530500000000 ] - [ 0.0126375100000000, -0.0039939500000000, 0.0088446800000000 ] - [ 0.0125231400000000, -0.0037157000000000, 0.0092525300000000 ] - [ -0.0101641500000000, 0.0000610600000000, -0.0080159700000000 ] - [ -0.0188429300000000, 0.0262501400000000, -0.0163022100000000 ] - [ -0.0124273600000000, -0.0032344400000000, -0.0089175600000000 ] - [ -0.0127930400000000, -0.0034567400000000, -0.0090301000000000 ] - [ -0.0124941800000000, 0.0036292700000000, -0.0084628100000000 ] - [ -0.0128326400000000, 0.0034974700000000, -0.0081893100000000 ] - [ -0.0142000300000000, 0.0057956100000000, -0.0083789300000000 ] - [ -0.0121991100000000, 0.0021766100000000, -0.0100183300000000 ] - [ 0.0116138700000000, 0.0032941700000000, 0.0093343700000000 ] - [ 0.0123736800000000, 0.0035864300000000, 0.0083666300000000 ] - [ 0.0124241400000000, 0.0031657700000000, 0.0098185800000000 ] - [ 0.0126742800000000, 0.0036713700000000, 0.0085354400000000 ] - [ 0.0000236900000000, -0.0009246400000000, 0.0003940100000000 ] - [ -0.0000982900000000, -0.0011018800000000, 0.0004389100000000 ] - [ 0.0000405700000000, -0.0001859600000000, 0.0002095100000000 ] - [ -0.0000949100000000, -0.0002223900000000, -0.0002030500000000 ] - [ -0.0032702200000000, -0.0012985300000000, -0.0001846300000000 ] - [ 0.0077978600000000, 0.0268824200000000, -0.0106437400000000 ] - [ 0.0015021700000000, -0.0013138000000000, -0.0003396000000000 ] - [ -0.0003033100000000, 0.0003102300000000, -0.0000729500000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003103300000000, 0.0094328400000000, -0.0191283700000000 ] - [ 0.0007259500000000, 0.0094902800000000, -0.0176670900000000 ] - [ 0.0010483500000000, 0.0096076900000000, -0.0182890700000000 ] - [ 0.0005952800000000, 0.0096891400000000, -0.0184626300000000 ] - [ -0.0020087900000000, 0.0093118400000000, 0.0184239800000000 ] - [ 0.0064169500000000, 0.0038489100000000, 0.0203619600000000 ] - [ -0.0008219800000000, 0.0096248700000000, 0.0183761500000000 ] - [ -0.0010700500000000, 0.0099693800000000, 0.0183559600000000 ] - [ -0.0004488200000000, -0.0100138600000000, 0.0185573200000000 ] - [ -0.0009548900000000, -0.0096010000000000, 0.0185746900000000 ] - [ -0.0072893600000000, -0.0149855400000000, 0.0134299300000000 ] - [ -0.0003039500000000, -0.0106683100000000, 0.0185446500000000 ] - [ 0.0012594000000000, -0.0102681000000000, -0.0182721500000000 ] - [ 0.0005486800000000, -0.0093069100000000, -0.0183819700000000 ] - [ 0.0010238500000000, -0.0099267200000000, -0.0181577200000000 ] - [ 0.0009867100000000, -0.0099389000000000, -0.0183116000000000 ] - [ 0.0150911700000000, -0.0107580300000000, -0.0003812500000000 ] - [ 0.0165104400000000, -0.0106569800000000, -0.0008086600000000 ] - [ 0.0153165100000000, -0.0103398300000000, -0.0007497600000000 ] - [ 0.0151286900000000, -0.0103262800000000, -0.0008573700000000 ] - [ -0.0132170300000000, -0.0176510200000000, -0.0021332000000000 ] - [ -0.0153411100000000, -0.0106035900000000, 0.0007389200000000 ] - [ -0.0154670100000000, -0.0102891000000000, 0.0009925200000000 ] - [ -0.0153028300000000, -0.0101525100000000, 0.0009068800000000 ] - [ -0.0087126300000000, 0.1542777000000000, 0.0131551200000000 ] - [ -0.0006318100000000, 0.0141654700000000, 0.0070918800000000 ] - [ -0.0007065400000000, 0.0141209100000000, 0.0058307600000000 ] - [ -0.0008440200000000, 0.0142326900000000, 0.0058674000000000 ] - [ 0.0008276400000000, 0.0143908000000000, -0.0055752800000000 ] - [ 0.0006878600000000, 0.0138502000000000, -0.0059204900000000 ] - [ 0.0007049300000000, 0.0142286600000000, -0.0057035100000000 ] - [ 0.0005887800000000, 0.0141857900000000, -0.0058381400000000 ] - [ -0.0002904500000000, -0.0171691400000000, -0.0042799500000000 ] - [ -0.0002695400000000, -0.0146655600000000, -0.0063404700000000 ] - [ 0.0008359400000000, -0.0130555700000000, -0.0064335100000000 ] - [ -0.0010431100000000, -0.0134561100000000, -0.0024034400000000 ] - [ -0.0006198100000000, -0.0144451100000000, 0.0059572800000000 ] - [ -0.0002627000000000, -0.0142439200000000, 0.0059666100000000 ] - [ -0.0008780000000000, -0.0144485600000000, 0.0057001600000000 ] - [ -0.0007937900000000, -0.0142511800000000, 0.0060071400000000 ] - [ -0.0009163200000000, 0.0020336900000000, -0.0002764500000000 ] - [ 0.0002694000000000, 0.0020147500000000, 0.0005297100000000 ] - [ -0.0003593300000000, 0.0002944400000000, 0.0050957600000000 ] - [ -0.0003161900000000, 0.0021479200000000, -0.0009100100000000 ] - [ 0.0007149600000000, 0.0023175100000000, -0.0002903500000000 ] - [ 0.0000554300000000, 0.0024315700000000, -0.0006134600000000 ] - [ 0.0002815500000000, 0.0023395200000000, -0.0008133400000000 ] - [ 0.0003801300000000, 0.0018522900000000, -0.0009119100000000 ] - [ -0.0174484600000000, -0.0195497700000000, -0.0064545400000000 ] - [ 0.0042636300000000, 0.0023221700000000, -0.0032387800000000 ] - [ 0.0004937400000000, -0.0019978100000000, -0.0011123900000000 ] - [ 0.0005054300000000, -0.0021884500000000, -0.0005560000000000 ] - [ -0.0003106700000000, -0.0025659600000000, 0.0006139400000000 ] - [ -0.0004336100000000, -0.0024706900000000, 0.0009831200000000 ] - [ -0.0004516300000000, -0.0023823000000000, 0.0006816200000000 ] - [ -0.0004600000000000, -0.0022945100000000, 0.0008283800000000 ] - [ -0.0083651800000000, 0.0130985300000000, -0.0206922400000000 ] - [ -0.0076961800000000, 0.0123897000000000, -0.0202949800000000 ] - [ -0.0066125100000000, 0.0147681900000000, -0.0214645300000000 ] - [ -0.0084397100000000, 0.0120977100000000, -0.0206695400000000 ] - [ 0.0078278000000000, 0.0122670700000000, 0.0204268600000000 ] - [ 0.0081366300000000, 0.0120696500000000, 0.0205316600000000 ] - [ 0.0075655500000000, 0.0122736000000000, 0.0203166500000000 ] - [ 0.0077530600000000, 0.0121665100000000, 0.0204123900000000 ] - [ 0.0146605900000000, -0.0161166800000000, 0.0226937100000000 ] - [ 0.0011126900000000, -0.0170626800000000, 0.0216245700000000 ] - [ 0.0077409100000000, -0.0124222400000000, 0.0200488100000000 ] - [ 0.0078109500000000, -0.0123668400000000, 0.0203479200000000 ] - [ -0.0083047000000000, -0.0132754100000000, -0.0192583800000000 ] - [ -0.0078779300000000, -0.0118841700000000, -0.0202976100000000 ] - [ -0.0078463300000000, -0.0124571100000000, -0.0203362300000000 ] - [ -0.0077927800000000, -0.0124219300000000, -0.0203114500000000 ] - [ -0.0067186500000000, -0.0053919800000000, -0.0221639100000000 ] - [ -0.0070561900000000, -0.0051652700000000, -0.0222507900000000 ] - [ -0.0065633100000000, -0.0055875500000000, -0.0221295400000000 ] - [ -0.0068128000000000, -0.0051684700000000, -0.0223113900000000 ] - [ 0.0053844500000000, 0.0025588400000000, 0.0230693000000000 ] - [ 0.0080596600000000, -0.0023274900000000, 0.0236788700000000 ] - [ 0.0063503200000000, -0.0054878500000000, 0.0218373100000000 ] - [ 0.0063633600000000, -0.0050635600000000, 0.0225465500000000 ] - [ 0.0066134800000000, 0.0054627400000000, 0.0215666000000000 ] - [ 0.0066868900000000, 0.0049879800000000, 0.0222480500000000 ] - [ 0.0067846500000000, 0.0051846200000000, 0.0222575700000000 ] - [ 0.0067589900000000, 0.0052105600000000, 0.0223821100000000 ] - [ 0.0155388400000000, -0.0410632400000000, -0.0492699000000000 ] - [ -0.0068501500000000, 0.0060907400000000, -0.0228055100000000 ] - [ -0.0066387400000000, 0.0055278800000000, -0.0217799900000000 ] - [ -0.0066716600000000, 0.0053104300000000, -0.0221126600000000 ] - [ 0.0153554800000000, 0.0101758500000000, -0.0010503100000000 ] - [ 0.0149709400000000, 0.0104768600000000, -0.0007133100000000 ] - [ 0.0156055000000000, 0.0103418000000000, -0.0008618000000000 ] - [ 0.0152556600000000, 0.0098278000000000, -0.0009568100000000 ] - [ -0.0161431000000000, 0.0081283600000000, 0.0045910700000000 ] - [ -0.0149041400000000, 0.0106379800000000, 0.0011785400000000 ] - [ -0.0156442100000000, 0.0102057700000000, 0.0002392600000000 ] - [ -0.0150569800000000, 0.0102893700000000, 0.0012850400000000 ] - [ 0.0125487900000000, -0.0029510800000000, 0.0090457800000000 ] - [ 0.0129511500000000, -0.0034572100000000, 0.0087136500000000 ] - [ 0.0126233000000000, -0.0031422900000000, 0.0089300100000000 ] - [ 0.0127465100000000, -0.0034309000000000, 0.0085157600000000 ] - [ -0.0151057800000000, -0.0072184600000000, -0.0097726500000000 ] - [ -0.0056621200000000, -0.0344283300000000, -0.0008807700000000 ] - [ -0.0128326600000000, -0.0038952900000000, -0.0088684900000000 ] - [ -0.0124696100000000, -0.0036937100000000, -0.0087372500000000 ] - [ -0.0127705000000000, 0.0035166600000000, -0.0093126200000000 ] - [ -0.0124292400000000, 0.0036431700000000, -0.0096022300000000 ] - [ -0.0110554400000000, 0.0013390900000000, -0.0093677700000000 ] - [ -0.0130851700000000, 0.0049971000000000, -0.0077329400000000 ] - [ 0.0136132800000000, 0.0039718200000000, 0.0085198100000000 ] - [ 0.0128795300000000, 0.0035493500000000, 0.0094155200000000 ] - [ 0.0128397000000000, 0.0039780200000000, 0.0079509800000000 ] - [ 0.0126003100000000, 0.0034736900000000, 0.0092424600000000 ] - [ -0.0000192800000000, 0.0009411800000000, -0.0004005200000000 ] - [ 0.0000995300000000, 0.0011236600000000, -0.0004558500000000 ] - [ -0.0000395200000000, 0.0001948500000000, -0.0002047900000000 ] - [ 0.0000947600000000, 0.0002241500000000, 0.0002062600000000 ] - [ 0.0033062500000000, 0.0012871900000000, 0.0001820600000000 ] - [ -0.0075731200000000, -0.0268110400000000, 0.0103229400000000 ] - [ -0.0015020500000000, 0.0013098100000000, 0.0003586200000000 ] - [ 0.0003029300000000, -0.0003172500000000, 0.0000810900000000 ]- atom: 25 displacement: [ -0.0019892822674104, 0.0000000000000000, 0.0098001406143262 ] forces: - [ 0.0015508300000000, 0.0099354400000000, -0.0192780900000000 ] - [ 0.0007542000000000, 0.0099798300000000, -0.0176822400000000 ] - [ 0.0009691200000000, 0.0096553400000000, -0.0183767500000000 ] - [ 0.0006228300000000, 0.0096004300000000, -0.0183566000000000 ] - [ -0.0016267700000000, 0.0097863500000000, 0.0172730600000000 ] - [ 0.0010279800000000, 0.0083909800000000, 0.0172196600000000 ] - [ -0.0006608300000000, 0.0098041300000000, 0.0184006900000000 ] - [ -0.0009248900000000, 0.0099100500000000, 0.0183753300000000 ] - [ -0.0010161700000000, -0.0103759600000000, 0.0185248000000000 ] - [ -0.0010867500000000, -0.0094684200000000, 0.0186060700000000 ] - [ 0.0038271600000000, -0.0067917700000000, 0.0208116200000000 ] - [ -0.0009355100000000, -0.0092934800000000, 0.0195332800000000 ] - [ 0.0012917300000000, -0.0092691200000000, -0.0182803000000000 ] - [ 0.0005335400000000, -0.0096238300000000, -0.0183857000000000 ] - [ 0.0010579100000000, -0.0101186600000000, -0.0183074300000000 ] - [ 0.0009975200000000, -0.0098312200000000, -0.0184453600000000 ] - [ 0.0153334500000000, -0.0105435000000000, 0.0015280100000000 ] - [ 0.0166951300000000, -0.0098915100000000, -0.0007265700000000 ] - [ 0.0152929400000000, -0.0103396200000000, -0.0006729400000000 ] - [ 0.0151856500000000, -0.0102955300000000, -0.0007418200000000 ] - [ -0.0156603400000000, -0.0085471100000000, -0.0003345700000000 ] - [ -0.0150328900000000, -0.0095215200000000, 0.0012293400000000 ] - [ -0.0152646300000000, -0.0101018700000000, 0.0009271300000000 ] - [ -0.0152570800000000, -0.0101508700000000, 0.0011619200000000 ] - [ 0.0418727900000000, 0.0038004400000000, -0.1370618800000000 ] - [ -0.0012475800000000, 0.0130572400000000, 0.0065208900000000 ] - [ -0.0007211900000000, 0.0142750000000000, 0.0061252000000000 ] - [ -0.0006609400000000, 0.0142151800000000, 0.0057205400000000 ] - [ 0.0008013800000000, 0.0144929400000000, -0.0057563900000000 ] - [ 0.0005766700000000, 0.0141873400000000, -0.0060110200000000 ] - [ 0.0005966100000000, 0.0143950100000000, -0.0055866100000000 ] - [ 0.0006468900000000, 0.0142907200000000, -0.0057938000000000 ] - [ 0.0001310800000000, -0.0160289900000000, -0.0043505800000000 ] - [ -0.0001331700000000, -0.0139627100000000, -0.0053310500000000 ] - [ 0.0009160200000000, -0.0136654100000000, -0.0065296300000000 ] - [ -0.0070812100000000, -0.0179314800000000, 0.0019823900000000 ] - [ -0.0006862600000000, -0.0143649100000000, 0.0057922400000000 ] - [ -0.0003214100000000, -0.0140779900000000, 0.0055012900000000 ] - [ -0.0007004900000000, -0.0141698100000000, 0.0057902000000000 ] - [ -0.0003772500000000, -0.0142258500000000, 0.0054935800000000 ] - [ -0.0010497800000000, 0.0023557800000000, 0.0016028900000000 ] - [ 0.0002007700000000, 0.0019256000000000, 0.0005890700000000 ] - [ 0.0010179000000000, -0.0018487900000000, 0.0038544700000000 ] - [ -0.0005490900000000, 0.0021511500000000, 0.0004250400000000 ] - [ 0.0006627500000000, 0.0024810600000000, -0.0004671600000000 ] - [ -0.0009024500000000, 0.0023672600000000, -0.0009040700000000 ] - [ 0.0006101900000000, 0.0023487400000000, -0.0008338000000000 ] - [ 0.0002996600000000, 0.0022897700000000, -0.0006962200000000 ] - [ 0.0066170800000000, 0.0010311200000000, 0.0118410300000000 ] - [ -0.0055612700000000, 0.0005578400000000, -0.0046804100000000 ] - [ 0.0004951800000000, -0.0019762700000000, -0.0008515600000000 ] - [ 0.0005506600000000, -0.0024016800000000, -0.0002930200000000 ] - [ -0.0004329400000000, -0.0023080400000000, 0.0005999500000000 ] - [ -0.0006129800000000, -0.0022366000000000, 0.0009463500000000 ] - [ -0.0003776900000000, -0.0022107900000000, 0.0007996700000000 ] - [ -0.0005113100000000, -0.0022643400000000, 0.0008978100000000 ] - [ -0.0074053900000000, 0.0132032500000000, -0.0200453700000000 ] - [ -0.0074127200000000, 0.0120201600000000, -0.0194161800000000 ] - [ -0.0075082800000000, 0.0163114900000000, -0.0119531800000000 ] - [ -0.0081957300000000, 0.0121859000000000, -0.0205607300000000 ] - [ 0.0077187200000000, 0.0123621000000000, 0.0205285800000000 ] - [ 0.0081146600000000, 0.0122902000000000, 0.0201628700000000 ] - [ 0.0078509400000000, 0.0124447000000000, 0.0203930600000000 ] - [ 0.0076154100000000, 0.0121777300000000, 0.0203514600000000 ] - [ 0.0083137500000000, -0.0139975500000000, 0.0127098800000000 ] - [ 0.0046835900000000, -0.0155396600000000, 0.0187426300000000 ] - [ 0.0080048600000000, -0.0124660300000000, 0.0203780900000000 ] - [ 0.0079222200000000, -0.0123830800000000, 0.0206042800000000 ] - [ -0.0076758200000000, -0.0126684200000000, -0.0202278200000000 ] - [ -0.0075169100000000, -0.0126965200000000, -0.0207758400000000 ] - [ -0.0080497900000000, -0.0123277100000000, -0.0202819100000000 ] - [ -0.0078443500000000, -0.0123728800000000, -0.0203754700000000 ] - [ -0.0066219400000000, -0.0053371900000000, -0.0221872400000000 ] - [ -0.0072450800000000, -0.0051474400000000, -0.0221843500000000 ] - [ -0.0066448300000000, -0.0053337200000000, -0.0222666500000000 ] - [ -0.0068628800000000, -0.0050434200000000, -0.0220281400000000 ] - [ -0.0020700200000000, -0.0046191800000000, 0.0275798900000000 ] - [ 0.0137089200000000, -0.0047414500000000, 0.0268486800000000 ] - [ 0.0071101500000000, -0.0058902200000000, 0.0229690600000000 ] - [ 0.0069630900000000, -0.0053301500000000, 0.0216719200000000 ] - [ 0.0069321500000000, 0.0054279300000000, 0.0222010100000000 ] - [ 0.0065457700000000, 0.0053372400000000, 0.0223036800000000 ] - [ 0.0069537800000000, 0.0053429300000000, 0.0222196900000000 ] - [ 0.0067519300000000, 0.0052455200000000, 0.0223877000000000 ] - [ -0.0292037700000000, 0.0365979100000000, 0.0165669400000000 ] - [ -0.0065017500000000, 0.0061749700000000, -0.0231903200000000 ] - [ -0.0068403300000000, 0.0053586000000000, -0.0218395200000000 ] - [ -0.0066613800000000, 0.0050360100000000, -0.0221116700000000 ] - [ 0.0153702600000000, 0.0102396000000000, -0.0008948400000000 ] - [ 0.0153252000000000, 0.0104046700000000, -0.0008264800000000 ] - [ 0.0152467600000000, 0.0101657600000000, -0.0012137100000000 ] - [ 0.0154390100000000, 0.0098398300000000, -0.0009447200000000 ] - [ -0.0153213100000000, 0.0059088500000000, 0.0050318700000000 ] - [ -0.0148664900000000, 0.0118679300000000, 0.0003565700000000 ] - [ -0.0161890200000000, 0.0107421200000000, 0.0011317100000000 ] - [ -0.0152189300000000, 0.0103714400000000, 0.0008197000000000 ] - [ 0.0123082800000000, -0.0033890300000000, 0.0093266700000000 ] - [ 0.0140824800000000, -0.0050614500000000, 0.0086451400000000 ] - [ 0.0126672100000000, -0.0035853100000000, 0.0084657500000000 ] - [ 0.0126878000000000, -0.0035121300000000, 0.0083938400000000 ] - [ -0.0174025900000000, -0.0063591200000000, -0.0097787800000000 ] - [ -0.0100093300000000, -0.0110816800000000, 0.0141469400000000 ] - [ -0.0131446800000000, -0.0040405800000000, -0.0097608800000000 ] - [ -0.0124042900000000, -0.0038958700000000, -0.0092200800000000 ] - [ -0.0133566400000000, 0.0034448800000000, -0.0089396200000000 ] - [ -0.0126650500000000, 0.0037231100000000, -0.0094325500000000 ] - [ -0.0132130600000000, 0.0044709000000000, -0.0060178100000000 ] - [ -0.0122693100000000, 0.0029454600000000, -0.0088716700000000 ] - [ 0.0125517700000000, 0.0024725100000000, 0.0081127100000000 ] - [ 0.0126740700000000, 0.0035972900000000, 0.0089758800000000 ] - [ 0.0128666900000000, 0.0043757300000000, 0.0081870400000000 ] - [ 0.0121971600000000, 0.0037886500000000, 0.0088210200000000 ] - [ 0.0003113900000000, -0.0001933500000000, 0.0000538900000000 ] - [ 0.0000739300000000, -0.0002289400000000, 0.0002066100000000 ] - [ -0.0001289800000000, -0.0000918000000000, -0.0001555000000000 ] - [ 0.0001863800000000, 0.0000100800000000, -0.0000594800000000 ] - [ 0.0029577600000000, 0.0006413200000000, 0.0034871400000000 ] - [ -0.0167171300000000, -0.0094618000000000, 0.0400512500000000 ] - [ -0.0008303400000000, 0.0008038000000000, -0.0001172500000000 ] - [ 0.0001192400000000, 0.0000180500000000, -0.0004933600000000 ]- atom: 25 displacement: [ 0.0019892822674104, 0.0000000000000000, -0.0098001406143262 ] forces: - [ 0.0003467100000000, 0.0095704400000000, -0.0175417600000000 ] - [ 0.0011237700000000, 0.0095155200000000, -0.0191700500000000 ] - [ 0.0009221900000000, 0.0098392400000000, -0.0184631000000000 ] - [ 0.0012694300000000, 0.0099084100000000, -0.0184860400000000 ] - [ -0.0002584100000000, 0.0096944100000000, 0.0195788400000000 ] - [ -0.0029597600000000, 0.0111588300000000, 0.0196003600000000 ] - [ -0.0012350700000000, 0.0096972000000000, 0.0184421600000000 ] - [ -0.0009617900000000, 0.0095880500000000, 0.0184704600000000 ] - [ -0.0008687000000000, -0.0091215800000000, 0.0183192300000000 ] - [ -0.0008023700000000, -0.0100322000000000, 0.0182326100000000 ] - [ -0.0057695700000000, -0.0127683500000000, 0.0160499100000000 ] - [ -0.0009556200000000, -0.0102052200000000, 0.0172938500000000 ] - [ 0.0006005500000000, -0.0102486300000000, -0.0185648700000000 ] - [ 0.0013578300000000, -0.0098768600000000, -0.0184601600000000 ] - [ 0.0008248200000000, -0.0093747600000000, -0.0185403600000000 ] - [ 0.0008865100000000, -0.0096630200000000, -0.0183984200000000 ] - [ 0.0152987800000000, -0.0099897700000000, -0.0032707100000000 ] - [ 0.0139182700000000, -0.0106655200000000, -0.0010182600000000 ] - [ 0.0153487800000000, -0.0101972900000000, -0.0010779900000000 ] - [ 0.0154568900000000, -0.0102369500000000, -0.0010116600000000 ] - [ -0.0149725000000000, -0.0119844700000000, 0.0020927800000000 ] - [ -0.0156069100000000, -0.0110152500000000, 0.0005252100000000 ] - [ -0.0153739800000000, -0.0104401600000000, 0.0008110300000000 ] - [ -0.0153800900000000, -0.0103845400000000, 0.0005791400000000 ] - [ -0.0441034400000000, 0.0227781600000000, 0.1498412100000000 ] - [ -0.0000986500000000, 0.0155599100000000, 0.0051067700000000 ] - [ -0.0006394200000000, 0.0143309700000000, 0.0054984100000000 ] - [ -0.0007012300000000, 0.0143874900000000, 0.0059036000000000 ] - [ 0.0005582100000000, 0.0141134100000000, -0.0058649000000000 ] - [ 0.0007816600000000, 0.0144180700000000, -0.0056153000000000 ] - [ 0.0007600800000000, 0.0142080500000000, -0.0060423900000000 ] - [ 0.0007152300000000, 0.0143139900000000, -0.0058356100000000 ] - [ 0.0011817900000000, -0.0126344700000000, -0.0072286500000000 ] - [ 0.0014988700000000, -0.0146163600000000, -0.0063006000000000 ] - [ 0.0004429700000000, -0.0149538100000000, -0.0050938900000000 ] - [ 0.0085564800000000, -0.0106194400000000, -0.0137385000000000 ] - [ -0.0006724500000000, -0.0142362100000000, 0.0058348500000000 ] - [ -0.0010366200000000, -0.0145249800000000, 0.0061215100000000 ] - [ -0.0006608900000000, -0.0144407800000000, 0.0058385700000000 ] - [ -0.0009899700000000, -0.0143852400000000, 0.0061336400000000 ] - [ 0.0001163200000000, 0.0022157100000000, -0.0001042800000000 ] - [ -0.0011237500000000, 0.0026382100000000, 0.0009384800000000 ] - [ -0.0019891800000000, 0.0065201500000000, -0.0023948100000000 ] - [ -0.0003824600000000, 0.0024282500000000, 0.0011110900000000 ] - [ 0.0002610300000000, 0.0020898200000000, -0.0010604000000000 ] - [ 0.0018265300000000, 0.0022040400000000, -0.0006176000000000 ] - [ 0.0003206400000000, 0.0022222500000000, -0.0006903200000000 ] - [ 0.0006311200000000, 0.0022830300000000, -0.0008327400000000 ] - [ -0.0054680900000000, -0.0054171900000000, -0.0133593000000000 ] - [ 0.0065551000000000, -0.0051490900000000, 0.0032374800000000 ] - [ 0.0004309000000000, -0.0025879100000000, -0.0006864100000000 ] - [ 0.0003805600000000, -0.0021709100000000, -0.0012318300000000 ] - [ -0.0004945200000000, -0.0022659900000000, 0.0009291600000000 ] - [ -0.0003119500000000, -0.0023338500000000, 0.0005856800000000 ] - [ -0.0005481700000000, -0.0023646300000000, 0.0007251300000000 ] - [ -0.0004162400000000, -0.0023115100000000, 0.0006230200000000 ] - [ -0.0082792700000000, 0.0115347300000000, -0.0206777600000000 ] - [ -0.0082393600000000, 0.0127208400000000, -0.0212830800000000 ] - [ -0.0081568700000000, 0.0083612100000000, -0.0289373100000000 ] - [ -0.0074697000000000, 0.0125409000000000, -0.0201492600000000 ] - [ 0.0079490300000000, 0.0123712300000000, 0.0201776100000000 ] - [ 0.0075501000000000, 0.0124388300000000, 0.0205517300000000 ] - [ 0.0078218200000000, 0.0122886400000000, 0.0203178800000000 ] - [ 0.0080531800000000, 0.0125562500000000, 0.0203594400000000 ] - [ 0.0073419900000000, -0.0107480800000000, 0.0280389300000000 ] - [ 0.0109922100000000, -0.0091614500000000, 0.0220719000000000 ] - [ 0.0076612200000000, -0.0122692600000000, 0.0203200600000000 ] - [ 0.0077444600000000, -0.0123484500000000, 0.0201062600000000 ] - [ -0.0079957400000000, -0.0120690800000000, -0.0204847700000000 ] - [ -0.0081485500000000, -0.0120434100000000, -0.0199258900000000 ] - [ -0.0076143000000000, -0.0124028500000000, -0.0204296700000000 ] - [ -0.0078242100000000, -0.0123594700000000, -0.0203361500000000 ] - [ -0.0068548700000000, -0.0052357000000000, -0.0222388600000000 ] - [ -0.0062260600000000, -0.0054241800000000, -0.0222397000000000 ] - [ -0.0068324800000000, -0.0052391600000000, -0.0221518300000000 ] - [ -0.0066175200000000, -0.0055269200000000, -0.0223957500000000 ] - [ 0.0154048700000000, -0.0058053500000000, 0.0169348600000000 ] - [ -0.0002174400000000, -0.0058173100000000, 0.0175687900000000 ] - [ 0.0063501600000000, -0.0046664200000000, 0.0214396000000000 ] - [ 0.0065085600000000, -0.0052467800000000, 0.0227577200000000 ] - [ 0.0065459300000000, 0.0051398600000000, 0.0222261200000000 ] - [ 0.0069342200000000, 0.0052295800000000, 0.0221233800000000 ] - [ 0.0065207900000000, 0.0052318300000000, 0.0221985900000000 ] - [ 0.0067254300000000, 0.0053267100000000, 0.0220319800000000 ] - [ 0.0150334900000000, -0.0249205000000000, -0.0603473800000000 ] - [ -0.0069767100000000, 0.0044005700000000, -0.0212315000000000 ] - [ -0.0066365000000000, 0.0052122800000000, -0.0225951800000000 ] - [ -0.0068155000000000, 0.0055302400000000, -0.0223225200000000 ] - [ 0.0152688100000000, 0.0102942400000000, -0.0008533500000000 ] - [ 0.0153182600000000, 0.0101281400000000, -0.0009254200000000 ] - [ 0.0153977500000000, 0.0103702300000000, -0.0005313100000000 ] - [ 0.0152065700000000, 0.0107148400000000, -0.0007968500000000 ] - [ -0.0152999500000000, 0.0145891900000000, -0.0032548200000000 ] - [ -0.0157719800000000, 0.0086710100000000, 0.0013829600000000 ] - [ -0.0144234900000000, 0.0097754400000000, 0.0006111100000000 ] - [ -0.0154229900000000, 0.0101670800000000, 0.0009164800000000 ] - [ 0.0129653500000000, -0.0037579800000000, 0.0084201800000000 ] - [ 0.0111902100000000, -0.0020893000000000, 0.0091066700000000 ] - [ 0.0126020100000000, -0.0035593700000000, 0.0093032500000000 ] - [ 0.0125842700000000, -0.0036358900000000, 0.0093744500000000 ] - [ -0.0078565300000000, -0.0008163800000000, -0.0079877900000000 ] - [ -0.0150413400000000, 0.0037130100000000, -0.0319263400000000 ] - [ -0.0121133900000000, -0.0031038400000000, -0.0079709300000000 ] - [ -0.0128733800000000, -0.0032478400000000, -0.0085285200000000 ] - [ -0.0119118900000000, 0.0037066400000000, -0.0088162000000000 ] - [ -0.0126086000000000, 0.0034251300000000, -0.0083229700000000 ] - [ -0.0120459500000000, 0.0026795100000000, -0.0117519500000000 ] - [ -0.0130040600000000, 0.0042057700000000, -0.0088911200000000 ] - [ 0.0126809300000000, 0.0047763000000000, 0.0097283100000000 ] - [ 0.0125902600000000, 0.0035558700000000, 0.0087798000000000 ] - [ 0.0124064500000000, 0.0027247400000000, 0.0096216100000000 ] - [ 0.0130783500000000, 0.0033538700000000, 0.0089447600000000 ] - [ -0.0003069700000000, 0.0001941600000000, -0.0000603600000000 ] - [ -0.0000725700000000, 0.0002305100000000, -0.0002119300000000 ] - [ 0.0001319800000000, 0.0000886000000000, 0.0001609900000000 ] - [ -0.0001886100000000, -0.0000110400000000, 0.0000622500000000 ] - [ -0.0029602700000000, -0.0006461000000000, -0.0034956200000000 ] - [ 0.0179691000000000, 0.0102360600000000, -0.0419447800000000 ] - [ 0.0008057600000000, -0.0007738300000000, 0.0001505300000000 ] - [ -0.0001167100000000, -0.0000248000000000, 0.0005053400000000 ]- atom: 41 displacement: [ 0.0099999991596329, 0.0000000000000000, 0.0000040996757033 ] forces: - [ 0.0007376600000000, 0.0098675600000000, -0.0186860100000000 ] - [ 0.0008667300000000, 0.0096640000000000, -0.0184354100000000 ] - [ 0.0227131200000000, -0.0166836300000000, -0.0394712800000000 ] - [ 0.0009500100000000, 0.0089838400000000, -0.0193659600000000 ] - [ -0.0013132600000000, 0.0100539200000000, 0.0184690500000000 ] - [ -0.0007445100000000, 0.0096853800000000, 0.0185423400000000 ] - [ -0.0009984700000000, 0.0097522100000000, 0.0184319700000000 ] - [ -0.0008345400000000, 0.0095973200000000, 0.0184473800000000 ] - [ -0.0006785000000000, -0.0095619200000000, 0.0189773300000000 ] - [ -0.0011723200000000, -0.0096654600000000, 0.0189292700000000 ] - [ -0.0008444100000000, -0.0095849200000000, 0.0183071100000000 ] - [ -0.0010895000000000, -0.0099896300000000, 0.0184472900000000 ] - [ -0.0026886000000000, -0.0104866000000000, -0.0167858800000000 ] - [ 0.0004420900000000, -0.0093421600000000, -0.0186825500000000 ] - [ 0.0009635900000000, -0.0097126500000000, -0.0185839300000000 ] - [ 0.0015792600000000, -0.0101397400000000, -0.0185105100000000 ] - [ 0.0153886200000000, -0.0104762700000000, -0.0009284000000000 ] - [ 0.0191246200000000, -0.0077392400000000, -0.0066347500000000 ] - [ 0.0161727800000000, -0.0104772400000000, -0.0005542900000000 ] - [ 0.0133254800000000, -0.0101127300000000, -0.0017831400000000 ] - [ -0.0152800600000000, -0.0103574400000000, 0.0007462700000000 ] - [ -0.0155788500000000, -0.0100184500000000, 0.0011234300000000 ] - [ -0.0153358700000000, -0.0107270200000000, 0.0008140900000000 ] - [ -0.0153611100000000, -0.0101401400000000, 0.0010306400000000 ] - [ -0.0002353800000000, 0.0147804900000000, 0.0053065200000000 ] - [ -0.0006807800000000, 0.0135781800000000, 0.0064898400000000 ] - [ -0.0032443400000000, 0.0142258900000000, 0.0068455500000000 ] - [ -0.0014975500000000, 0.0141877400000000, 0.0055548500000000 ] - [ 0.0005461700000000, 0.0141355400000000, -0.0056898100000000 ] - [ 0.0006504500000000, 0.0142403800000000, -0.0059898800000000 ] - [ 0.0007083700000000, 0.0145754700000000, -0.0056029800000000 ] - [ 0.0011086300000000, 0.0139177400000000, -0.0071164500000000 ] - [ 0.0647347400000000, 0.0029440600000000, 0.0130498300000000 ] - [ 0.0127924400000000, -0.0181578700000000, -0.0096168200000000 ] - [ 0.0007465000000000, -0.0143468800000000, -0.0057677300000000 ] - [ 0.0005953900000000, -0.0143614000000000, -0.0057407600000000 ] - [ -0.0007922800000000, -0.0141708900000000, 0.0058230100000000 ] - [ -0.0006912900000000, -0.0142982000000000, 0.0056544000000000 ] - [ -0.0007004500000000, -0.0143113600000000, 0.0058974600000000 ] - [ -0.0007391300000000, -0.0143211900000000, 0.0057515000000000 ] - [ -0.1755605900000000, 0.0120529700000000, 0.0167190700000000 ] - [ 0.0030858800000000, 0.0024218000000000, 0.0013158800000000 ] - [ -0.0004468500000000, 0.0022458500000000, 0.0008556800000000 ] - [ -0.0004159200000000, 0.0023444200000000, 0.0008117300000000 ] - [ 0.0006325300000000, 0.0024921600000000, -0.0008380700000000 ] - [ 0.0004232800000000, 0.0024219700000000, -0.0008418300000000 ] - [ 0.0004581200000000, 0.0023027600000000, -0.0008183200000000 ] - [ 0.0004965400000000, 0.0023597600000000, -0.0007470100000000 ] - [ 0.0002620700000000, -0.0023926500000000, -0.0002702900000000 ] - [ 0.0006694400000000, -0.0021833300000000, -0.0009399700000000 ] - [ 0.0000548100000000, -0.0017384200000000, -0.0014220800000000 ] - [ 0.0065904100000000, -0.0088678700000000, 0.0028278600000000 ] - [ 0.0000944000000000, -0.0024409200000000, 0.0005738000000000 ] - [ -0.0006775600000000, -0.0023883200000000, 0.0006536900000000 ] - [ 0.0000935700000000, -0.0025841600000000, 0.0002880200000000 ] - [ -0.0006761400000000, -0.0016045100000000, 0.0009189600000000 ] - [ -0.0107520100000000, 0.0105404800000000, -0.0215062100000000 ] - [ -0.0065617300000000, 0.0133310900000000, -0.0202804700000000 ] - [ -0.0079094600000000, 0.0124131800000000, -0.0202369100000000 ] - [ -0.0077621800000000, 0.0123332600000000, -0.0202815200000000 ] - [ 0.0079494300000000, 0.0124120500000000, 0.0202392400000000 ] - [ 0.0088702800000000, 0.0127350300000000, 0.0194657300000000 ] - [ 0.0079266800000000, 0.0123090400000000, 0.0202689800000000 ] - [ 0.0075482300000000, 0.0125038900000000, 0.0202774300000000 ] - [ 0.0079724600000000, -0.0118501700000000, 0.0203241200000000 ] - [ 0.0075033400000000, -0.0121095800000000, 0.0203299800000000 ] - [ 0.0134228800000000, -0.0129645100000000, 0.0153773300000000 ] - [ 0.0111916900000000, -0.0127409000000000, 0.0249873700000000 ] - [ -0.0077671300000000, -0.0122068200000000, -0.0203672600000000 ] - [ -0.0078542900000000, -0.0122460000000000, -0.0206382000000000 ] - [ -0.0077586000000000, -0.0124763700000000, -0.0203139000000000 ] - [ -0.0076892100000000, -0.0122056000000000, -0.0204561200000000 ] - [ -0.0065004000000000, -0.0056481000000000, -0.0218816700000000 ] - [ -0.0069162500000000, -0.0049697600000000, -0.0221399800000000 ] - [ -0.0066834100000000, -0.0053779300000000, -0.0221753700000000 ] - [ -0.0066772700000000, -0.0052722400000000, -0.0222888600000000 ] - [ 0.0011125800000000, 0.0004323900000000, 0.0267292800000000 ] - [ 0.0076219500000000, -0.0071406200000000, 0.0208668900000000 ] - [ 0.0070188800000000, -0.0055160100000000, 0.0223579400000000 ] - [ 0.0066647200000000, -0.0050880500000000, 0.0223737700000000 ] - [ 0.0069230600000000, 0.0051972800000000, 0.0222123800000000 ] - [ 0.0065228400000000, 0.0052464400000000, 0.0222117600000000 ] - [ 0.0067897600000000, 0.0052366600000000, 0.0220379200000000 ] - [ 0.0067596400000000, 0.0052450500000000, 0.0229468800000000 ] - [ -0.0102557700000000, 0.0027940300000000, -0.0239886600000000 ] - [ -0.0050496500000000, 0.0055416500000000, -0.0209955500000000 ] - [ -0.0071271400000000, 0.0057626600000000, -0.0224413000000000 ] - [ -0.0064392000000000, 0.0046048900000000, -0.0222260000000000 ] - [ 0.0202379700000000, 0.0068129900000000, -0.0012566500000000 ] - [ 0.0177575100000000, 0.0182790500000000, -0.0008750500000000 ] - [ 0.0155292900000000, 0.0101767800000000, -0.0008651700000000 ] - [ 0.0153247200000000, 0.0102754400000000, -0.0008403300000000 ] - [ -0.0150284700000000, 0.0099136500000000, 0.0012493000000000 ] - [ -0.0149816700000000, 0.0108482200000000, 0.0001611700000000 ] - [ -0.0153153200000000, 0.0102489600000000, 0.0009067200000000 ] - [ -0.0152904400000000, 0.0102458400000000, 0.0008595900000000 ] - [ 0.0126808300000000, -0.0030916200000000, 0.0083154700000000 ] - [ 0.0126783000000000, -0.0036697100000000, 0.0089669000000000 ] - [ 0.0123007700000000, 0.0019522500000000, 0.0128450200000000 ] - [ 0.0131602000000000, -0.0046931200000000, 0.0086897300000000 ] - [ -0.0105955100000000, -0.0060578200000000, -0.0108599500000000 ] - [ -0.0127822900000000, -0.0032620200000000, -0.0085047600000000 ] - [ -0.0124028500000000, -0.0036109800000000, -0.0088434900000000 ] - [ -0.0132287800000000, -0.0030384700000000, -0.0090623900000000 ] - [ -0.0128009400000000, 0.0035908700000000, -0.0089151300000000 ] - [ -0.0125279900000000, 0.0032628300000000, -0.0088240900000000 ] - [ -0.0127066500000000, 0.0035010700000000, -0.0088050100000000 ] - [ -0.0127182400000000, 0.0036398400000000, -0.0089717300000000 ] - [ 0.0438477000000000, 0.0145257200000000, -0.0069924000000000 ] - [ 0.0127828000000000, 0.0035762900000000, 0.0080686400000000 ] - [ 0.0128999600000000, 0.0034329400000000, 0.0090375400000000 ] - [ 0.0122146700000000, 0.0034847300000000, 0.0085281900000000 ] - [ 0.0000937300000000, -0.0005482400000000, 0.0002882900000000 ] - [ -0.0001287300000000, -0.0003456000000000, 0.0004143000000000 ] - [ 0.0001235900000000, -0.0001113500000000, -0.0000243600000000 ] - [ -0.0001207900000000, 0.0001284800000000, 0.0003187500000000 ] - [ 0.0001779600000000, 0.0003320100000000, -0.0002972600000000 ] - [ -0.0000589500000000, -0.0001087600000000, -0.0002164200000000 ] - [ -0.0000410800000000, -0.0001036700000000, -0.0001092300000000 ] - [ 0.0280945700000000, -0.0098611900000000, 0.0070451000000000 ]- atom: 41 displacement: [ -0.0099999991596329, 0.0000000000000000, -0.0000040996757033 ] forces: - [ 0.0011456900000000, 0.0096292000000000, -0.0181695900000000 ] - [ 0.0010200900000000, 0.0098380600000000, -0.0184071100000000 ] - [ -0.0209405500000000, 0.0365451300000000, 0.0029224900000000 ] - [ 0.0009506000000000, 0.0105043200000000, -0.0174964800000000 ] - [ -0.0005718600000000, 0.0094439600000000, 0.0183790900000000 ] - [ -0.0011393300000000, 0.0098093800000000, 0.0183039700000000 ] - [ -0.0008864900000000, 0.0097455300000000, 0.0184147000000000 ] - [ -0.0010492100000000, 0.0098972600000000, 0.0184019500000000 ] - [ -0.0011944300000000, -0.0099311600000000, 0.0178727800000000 ] - [ -0.0007232200000000, -0.0098445800000000, 0.0178932000000000 ] - [ -0.0010354700000000, -0.0099139900000000, 0.0185398200000000 ] - [ -0.0007998900000000, -0.0095124100000000, 0.0183987300000000 ] - [ 0.0045071200000000, -0.0090059000000000, -0.0200312400000000 ] - [ 0.0014662800000000, -0.0101641500000000, -0.0181298500000000 ] - [ 0.0009112700000000, -0.0097911900000000, -0.0182714600000000 ] - [ 0.0003192900000000, -0.0093576500000000, -0.0183398600000000 ] - [ 0.0152594200000000, -0.0100745800000000, -0.0008009300000000 ] - [ 0.0115164300000000, -0.0127825700000000, 0.0048694400000000 ] - [ 0.0144617500000000, -0.0101030500000000, -0.0011622000000000 ] - [ 0.0172913800000000, -0.0104197500000000, 0.0000450300000000 ] - [ -0.0153630300000000, -0.0101844600000000, 0.0009957900000000 ] - [ -0.0150677400000000, -0.0105232900000000, 0.0006179300000000 ] - [ -0.0153107900000000, -0.0098291600000000, 0.0009242100000000 ] - [ -0.0152792300000000, -0.0103944400000000, 0.0007180700000000 ] - [ -0.0011309400000000, 0.0138303900000000, 0.0063140400000000 ] - [ -0.0006976300000000, 0.0150171100000000, 0.0051405000000000 ] - [ 0.0018088800000000, 0.0143902700000000, 0.0048056600000000 ] - [ 0.0001486000000000, 0.0144427300000000, 0.0060604200000000 ] - [ 0.0008128800000000, 0.0144673500000000, -0.0059338700000000 ] - [ 0.0007157800000000, 0.0143664400000000, -0.0056398500000000 ] - [ 0.0006528800000000, 0.0140227900000000, -0.0060298700000000 ] - [ 0.0002509100000000, 0.0146890600000000, -0.0045100100000000 ] - [ -0.0661637200000000, -0.0326622100000000, -0.0258773500000000 ] - [ -0.0111750000000000, -0.0105506000000000, -0.0021168300000000 ] - [ 0.0006203200000000, -0.0142558800000000, -0.0058651800000000 ] - [ 0.0007667700000000, -0.0142428800000000, -0.0058803300000000 ] - [ -0.0005706400000000, -0.0144316700000000, 0.0058089300000000 ] - [ -0.0006714100000000, -0.0143138600000000, 0.0059656400000000 ] - [ -0.0006622800000000, -0.0142940200000000, 0.0057347300000000 ] - [ -0.0006254800000000, -0.0142845500000000, 0.0058762900000000 ] - [ 0.1762790900000000, -0.0065811100000000, -0.0141552900000000 ] - [ -0.0039571300000000, 0.0021786500000000, 0.0002239000000000 ] - [ -0.0004858400000000, 0.0023311300000000, 0.0006707900000000 ] - [ -0.0005172400000000, 0.0022267100000000, 0.0007129900000000 ] - [ 0.0002987800000000, 0.0020756800000000, -0.0006932600000000 ] - [ 0.0005065100000000, 0.0021545800000000, -0.0006826500000000 ] - [ 0.0004758800000000, 0.0022704500000000, -0.0007088500000000 ] - [ 0.0004325500000000, 0.0022151700000000, -0.0007769100000000 ] - [ 0.0006699700000000, -0.0021786900000000, -0.0012537300000000 ] - [ 0.0002691000000000, -0.0023881400000000, -0.0005919400000000 ] - [ 0.0008816800000000, -0.0028320700000000, -0.0001130800000000 ] - [ -0.0056331100000000, 0.0042479200000000, -0.0043282700000000 ] - [ -0.0010201300000000, -0.0021384500000000, 0.0009543900000000 ] - [ -0.0002569600000000, -0.0021857300000000, 0.0008680500000000 ] - [ -0.0010228800000000, -0.0019970000000000, 0.0012355900000000 ] - [ -0.0002569600000000, -0.0029751100000000, 0.0006084000000000 ] - [ -0.0049916800000000, 0.0141436300000000, -0.0192184600000000 ] - [ -0.0090849000000000, 0.0114210400000000, -0.0204270800000000 ] - [ -0.0077666400000000, 0.0123146000000000, -0.0204772300000000 ] - [ -0.0079074400000000, 0.0123933000000000, -0.0204334800000000 ] - [ 0.0076984300000000, 0.0123173600000000, 0.0204725000000000 ] - [ 0.0068180600000000, 0.0120074300000000, 0.0212151400000000 ] - [ 0.0077456000000000, 0.0124154700000000, 0.0204460900000000 ] - [ 0.0081157900000000, 0.0122239700000000, 0.0204374700000000 ] - [ 0.0077108500000000, -0.0128674700000000, 0.0203932900000000 ] - [ 0.0081594000000000, -0.0126369400000000, 0.0203784900000000 ] - [ 0.0021812400000000, -0.0116853100000000, 0.0254358000000000 ] - [ 0.0045380400000000, -0.0119918700000000, 0.0158301700000000 ] - [ -0.0079012000000000, -0.0125228600000000, -0.0203488700000000 ] - [ -0.0078167800000000, -0.0124843900000000, -0.0200765300000000 ] - [ -0.0079107800000000, -0.0122517400000000, -0.0204011100000000 ] - [ -0.0079828200000000, -0.0125260300000000, -0.0202593400000000 ] - [ -0.0069805500000000, -0.0049183500000000, -0.0225475600000000 ] - [ -0.0065602800000000, -0.0056090600000000, -0.0222771600000000 ] - [ -0.0067964500000000, -0.0051900000000000, -0.0222492600000000 ] - [ -0.0068017100000000, -0.0052983700000000, -0.0221347400000000 ] - [ 0.0123672900000000, -0.0109272300000000, 0.0177725100000000 ] - [ 0.0058612100000000, -0.0034817100000000, 0.0235163800000000 ] - [ 0.0064707500000000, -0.0050555100000000, 0.0220783200000000 ] - [ 0.0068147400000000, -0.0054752200000000, 0.0220590100000000 ] - [ 0.0065618700000000, 0.0053670200000000, 0.0222170500000000 ] - [ 0.0069517900000000, 0.0053259100000000, 0.0222119900000000 ] - [ 0.0066921000000000, 0.0053295000000000, 0.0223879300000000 ] - [ 0.0067164600000000, 0.0053260100000000, 0.0214728700000000 ] - [ -0.0032837900000000, 0.0077648300000000, -0.0204764200000000 ] - [ -0.0083999100000000, 0.0050531700000000, -0.0233958800000000 ] - [ -0.0063645000000000, 0.0048101300000000, -0.0219918300000000 ] - [ -0.0070330400000000, 0.0059660800000000, -0.0221840400000000 ] - [ 0.0103566700000000, 0.0137924100000000, -0.0004450800000000 ] - [ 0.0129032800000000, 0.0024049400000000, -0.0008430100000000 ] - [ 0.0151194300000000, 0.0103613800000000, -0.0008794500000000 ] - [ 0.0153146400000000, 0.0102656800000000, -0.0009032900000000 ] - [ -0.0156168500000000, 0.0106200300000000, 0.0005024100000000 ] - [ -0.0156676600000000, 0.0096856800000000, 0.0015756900000000 ] - [ -0.0153301700000000, 0.0102904400000000, 0.0008428200000000 ] - [ -0.0153508500000000, 0.0102962600000000, 0.0008877400000000 ] - [ 0.0125898100000000, -0.0040595700000000, 0.0094421100000000 ] - [ 0.0125922000000000, -0.0034799400000000, 0.0087861700000000 ] - [ 0.0130056900000000, -0.0091007600000000, 0.0049004800000000 ] - [ 0.0120453400000000, -0.0024267700000000, 0.0090742900000000 ] - [ -0.0146620900000000, -0.0010947900000000, -0.0068974700000000 ] - [ -0.0124861300000000, -0.0038768500000000, -0.0092457400000000 ] - [ -0.0128820300000000, -0.0035346200000000, -0.0089248500000000 ] - [ -0.0120305300000000, -0.0040811300000000, -0.0087312500000000 ] - [ -0.0124766800000000, 0.0035696100000000, -0.0088416100000000 ] - [ -0.0127362800000000, 0.0038811400000000, -0.0089283700000000 ] - [ -0.0125660800000000, 0.0036461500000000, -0.0089522800000000 ] - [ -0.0125528400000000, 0.0035101500000000, -0.0087905400000000 ] - [ -0.0178545200000000, -0.0070599300000000, 0.0240278100000000 ] - [ 0.0122894700000000, 0.0036098600000000, 0.0096005800000000 ] - [ 0.0123812400000000, 0.0037140600000000, 0.0087222900000000 ] - [ 0.0130236200000000, 0.0036768000000000, 0.0092387500000000 ] - [ -0.0000855500000000, 0.0005611300000000, -0.0002881200000000 ] - [ 0.0001222800000000, 0.0003480300000000, -0.0004091300000000 ] - [ -0.0001240900000000, 0.0001182700000000, 0.0000269200000000 ] - [ 0.0001202100000000, -0.0001296000000000, -0.0003211300000000 ] - [ -0.0001796800000000, -0.0003281000000000, 0.0002986800000000 ] - [ 0.0000571100000000, 0.0001065700000000, 0.0002104200000000 ] - [ -0.0001098900000000, 0.0000175000000000, 0.0001900000000000 ] - [ -0.0272615400000000, 0.0092435700000000, -0.0066633900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007573600000000, 0.0093640500000000, -0.0187808900000000 ] - [ 0.0009130100000000, 0.0097315200000000, -0.0184363700000000 ] - [ -0.0272249100000000, 0.0666797000000000, 0.0186016400000000 ] - [ 0.0014938300000000, 0.0088594800000000, -0.0182655000000000 ] - [ -0.0006347200000000, 0.0095229400000000, 0.0183445600000000 ] - [ -0.0010128100000000, 0.0098046400000000, 0.0184218600000000 ] - [ -0.0010225100000000, 0.0099670900000000, 0.0183071500000000 ] - [ -0.0012488100000000, 0.0100198300000000, 0.0182320200000000 ] - [ -0.0003421800000000, -0.0090765200000000, 0.0175373900000000 ] - [ -0.0008199900000000, -0.0100073200000000, 0.0188898900000000 ] - [ -0.0009967900000000, -0.0096565100000000, 0.0183560300000000 ] - [ -0.0010011800000000, -0.0094624200000000, 0.0184353000000000 ] - [ -0.0000060500000000, -0.0049137300000000, -0.0244218100000000 ] - [ 0.0012327500000000, -0.0100960200000000, -0.0166598900000000 ] - [ 0.0014374100000000, -0.0096706500000000, -0.0180055800000000 ] - [ 0.0007479400000000, -0.0099642500000000, -0.0184584100000000 ] - [ 0.0149843000000000, -0.0116548200000000, 0.0001118200000000 ] - [ 0.0181370300000000, -0.0113470900000000, -0.0042639500000000 ] - [ 0.0167892000000000, -0.0082503100000000, -0.0030521600000000 ] - [ 0.0156273100000000, -0.0100276200000000, -0.0000663700000000 ] - [ -0.0152956000000000, -0.0101546200000000, 0.0008947900000000 ] - [ -0.0150003500000000, -0.0103216000000000, 0.0010849900000000 ] - [ -0.0154472100000000, -0.0098684000000000, 0.0006429100000000 ] - [ -0.0152216200000000, -0.0102413400000000, 0.0005834300000000 ] - [ -0.0003232500000000, 0.0145525100000000, 0.0059546900000000 ] - [ -0.0012458500000000, 0.0145707600000000, 0.0053347200000000 ] - [ -0.0002382000000000, 0.0162805200000000, 0.0016634800000000 ] - [ -0.0004677500000000, 0.0144261700000000, 0.0057136100000000 ] - [ 0.0005103100000000, 0.0142424800000000, -0.0059079400000000 ] - [ 0.0008225900000000, 0.0147273900000000, -0.0057819500000000 ] - [ 0.0005512100000000, 0.0142608600000000, -0.0060419500000000 ] - [ 0.0007681400000000, 0.0141496900000000, -0.0058726000000000 ] - [ 0.0203603100000000, 0.0030347600000000, 0.0015182300000000 ] - [ -0.0040122400000000, -0.0188532200000000, -0.0038584800000000 ] - [ 0.0006228700000000, -0.0145869800000000, -0.0055113900000000 ] - [ 0.0007232600000000, -0.0143943700000000, -0.0059171100000000 ] - [ -0.0004709400000000, -0.0140209300000000, 0.0058739700000000 ] - [ -0.0006237200000000, -0.0141128500000000, 0.0057720000000000 ] - [ -0.0005725500000000, -0.0142050300000000, 0.0057515200000000 ] - [ -0.0007158800000000, -0.0142844800000000, 0.0057812000000000 ] - [ 0.0089568600000000, -0.1652884600000000, -0.0158367800000000 ] - [ -0.0003256800000000, 0.0024568900000000, -0.0004269200000000 ] - [ -0.0004952700000000, 0.0023748500000000, 0.0007403400000000 ] - [ -0.0003971100000000, 0.0024211800000000, 0.0007461100000000 ] - [ 0.0002450600000000, 0.0023342000000000, -0.0006427400000000 ] - [ 0.0003186400000000, 0.0023853900000000, -0.0006593400000000 ] - [ 0.0004387000000000, 0.0023426900000000, -0.0008605700000000 ] - [ 0.0003816200000000, 0.0022974200000000, -0.0008084700000000 ] - [ 0.0003455800000000, -0.0022406600000000, -0.0008085700000000 ] - [ 0.0005568500000000, -0.0022549700000000, -0.0006794100000000 ] - [ 0.0009886300000000, -0.0020011500000000, -0.0007139700000000 ] - [ -0.0060757400000000, 0.0007754000000000, -0.0047276200000000 ] - [ -0.0001572200000000, -0.0018013300000000, 0.0007559000000000 ] - [ -0.0011406100000000, -0.0019472500000000, 0.0002693900000000 ] - [ -0.0003004700000000, -0.0018045500000000, 0.0010771300000000 ] - [ -0.0003571800000000, -0.0019545900000000, 0.0007138600000000 ] - [ -0.0098305300000000, 0.0232356500000000, -0.0182058200000000 ] - [ -0.0078463900000000, 0.0126563700000000, -0.0203798500000000 ] - [ -0.0077341700000000, 0.0122712100000000, -0.0202797400000000 ] - [ -0.0078697500000000, 0.0123212300000000, -0.0203721000000000 ] - [ 0.0074943800000000, 0.0126951000000000, 0.0210529800000000 ] - [ 0.0088187900000000, 0.0138006600000000, 0.0192480000000000 ] - [ 0.0077254100000000, 0.0125028300000000, 0.0203069500000000 ] - [ 0.0077614600000000, 0.0125531800000000, 0.0203605700000000 ] - [ 0.0084657400000000, -0.0120555300000000, 0.0206452600000000 ] - [ 0.0081890000000000, -0.0126813200000000, 0.0201581300000000 ] - [ 0.0072398000000000, -0.0197130900000000, 0.0190837500000000 ] - [ 0.0076109800000000, -0.0158757200000000, 0.0194879400000000 ] - [ -0.0078819400000000, -0.0121574800000000, -0.0203248000000000 ] - [ -0.0079331500000000, -0.0123046400000000, -0.0202356200000000 ] - [ -0.0076319300000000, -0.0121566000000000, -0.0203391100000000 ] - [ -0.0078575100000000, -0.0123650500000000, -0.0204019600000000 ] - [ -0.0068762900000000, -0.0046922500000000, -0.0222489600000000 ] - [ -0.0068567800000000, -0.0054365900000000, -0.0222837100000000 ] - [ -0.0066128200000000, -0.0052231200000000, -0.0222607500000000 ] - [ -0.0067674600000000, -0.0052750500000000, -0.0222175500000000 ] - [ 0.0127874500000000, 0.0018211000000000, 0.0291091900000000 ] - [ 0.0065156500000000, -0.0043546400000000, 0.0222677100000000 ] - [ 0.0060303100000000, -0.0051229700000000, 0.0217494400000000 ] - [ 0.0066002100000000, -0.0053799900000000, 0.0219055700000000 ] - [ 0.0068612700000000, 0.0053537200000000, 0.0221481300000000 ] - [ 0.0066088400000000, 0.0053526000000000, 0.0219797200000000 ] - [ 0.0066116600000000, 0.0055679900000000, 0.0221707800000000 ] - [ 0.0066387200000000, 0.0056545500000000, 0.0220920700000000 ] - [ -0.0077362000000000, 0.0022420400000000, -0.0213532700000000 ] - [ -0.0057788500000000, 0.0056028800000000, -0.0214233900000000 ] - [ -0.0060442700000000, 0.0044053900000000, -0.0219310500000000 ] - [ -0.0070496100000000, 0.0051025600000000, -0.0223727500000000 ] - [ 0.0106300300000000, 0.0124671000000000, -0.0025482300000000 ] - [ 0.0233024800000000, 0.0181782400000000, -0.0003506200000000 ] - [ 0.0154876200000000, 0.0102919500000000, -0.0008429200000000 ] - [ 0.0154532700000000, 0.0102290100000000, -0.0008916300000000 ] - [ -0.0161936100000000, 0.0113402700000000, 0.0017220500000000 ] - [ -0.0154110500000000, 0.0099446600000000, 0.0012621700000000 ] - [ -0.0152598000000000, 0.0103916700000000, 0.0005661900000000 ] - [ -0.0151671200000000, 0.0103687700000000, 0.0007961900000000 ] - [ 0.0120286200000000, -0.0039628000000000, 0.0100484400000000 ] - [ 0.0128632000000000, -0.0034777400000000, 0.0090665500000000 ] - [ 0.0141827200000000, -0.0006952000000000, 0.0105941800000000 ] - [ 0.0120443200000000, -0.0032036900000000, 0.0087800600000000 ] - [ -0.0145553100000000, -0.0026360100000000, -0.0097279500000000 ] - [ -0.0125013200000000, -0.0037332600000000, -0.0091925900000000 ] - [ -0.0131080300000000, -0.0040406800000000, -0.0084272900000000 ] - [ -0.0121497200000000, -0.0041450400000000, -0.0077200000000000 ] - [ -0.0127378900000000, 0.0029154900000000, -0.0087136000000000 ] - [ -0.0121521800000000, 0.0022005500000000, -0.0090281600000000 ] - [ -0.0125921900000000, 0.0034620400000000, -0.0086238400000000 ] - [ -0.0125528100000000, 0.0033617400000000, -0.0086680800000000 ] - [ 0.0236133900000000, 0.0326017800000000, -0.0041337900000000 ] - [ 0.0076162000000000, 0.0031697300000000, 0.0071523500000000 ] - [ 0.0122552300000000, 0.0039185900000000, 0.0088123800000000 ] - [ 0.0140659500000000, 0.0026439500000000, 0.0087915800000000 ] - [ 0.0004764300000000, -0.0008457700000000, -0.0000600800000000 ] - [ -0.0001857700000000, -0.0001875300000000, -0.0000172800000000 ] - [ 0.0002941900000000, -0.0003268800000000, 0.0002841600000000 ] - [ -0.0000946700000000, -0.0004634600000000, 0.0000616800000000 ] - [ 0.0001728700000000, 0.0002155900000000, 0.0000599000000000 ] - [ -0.0001507500000000, -0.0000119100000000, -0.0002806900000000 ] - [ 0.0008150500000000, 0.0020875400000000, 0.0002075600000000 ] - [ -0.0096577400000000, 0.0364778900000000, -0.0067576700000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011386900000000, 0.0101496800000000, -0.0180527700000000 ] - [ 0.0009817400000000, 0.0097799700000000, -0.0184000500000000 ] - [ 0.0278930900000000, -0.0458033700000000, -0.0541013400000000 ] - [ 0.0004199400000000, 0.0106509900000000, -0.0185534600000000 ] - [ -0.0012790900000000, 0.0100071200000000, 0.0184875600000000 ] - [ -0.0008812000000000, 0.0097085800000000, 0.0184110200000000 ] - [ -0.0008753900000000, 0.0095490500000000, 0.0185268100000000 ] - [ -0.0006548400000000, 0.0095016500000000, 0.0185999400000000 ] - [ -0.0015768900000000, -0.0104447200000000, 0.0193209100000000 ] - [ -0.0010722300000000, -0.0094977600000000, 0.0179388600000000 ] - [ -0.0009054000000000, -0.0098635000000000, 0.0184767200000000 ] - [ -0.0008956700000000, -0.0100568600000000, 0.0183999200000000 ] - [ 0.0019211400000000, -0.0145824000000000, -0.0124715200000000 ] - [ 0.0006610000000000, -0.0094317900000000, -0.0201647300000000 ] - [ 0.0004623800000000, -0.0098474900000000, -0.0188289100000000 ] - [ 0.0011451500000000, -0.0095460000000000, -0.0183760100000000 ] - [ 0.0156335500000000, -0.0088809700000000, -0.0018637900000000 ] - [ 0.0124616600000000, -0.0092087700000000, 0.0025462200000000 ] - [ 0.0138323800000000, -0.0122793700000000, 0.0012950700000000 ] - [ 0.0150004300000000, -0.0105001100000000, -0.0016653000000000 ] - [ -0.0153241100000000, -0.0103772500000000, 0.0008524500000000 ] - [ -0.0156208000000000, -0.0102099600000000, 0.0006563900000000 ] - [ -0.0151702200000000, -0.0106648800000000, 0.0011095300000000 ] - [ -0.0153983600000000, -0.0102919500000000, 0.0011671400000000 ] - [ -0.0010217400000000, 0.0140485300000000, 0.0056698800000000 ] - [ -0.0000764600000000, 0.0140232900000000, 0.0062904300000000 ] - [ -0.0010998700000000, 0.0122777400000000, 0.0100283700000000 ] - [ -0.0008719100000000, 0.0141682000000000, 0.0059184700000000 ] - [ 0.0008210000000000, 0.0143514600000000, -0.0057080200000000 ] - [ 0.0005047400000000, 0.0138664700000000, -0.0058370800000000 ] - [ 0.0007858900000000, 0.0143261400000000, -0.0055906100000000 ] - [ 0.0005699200000000, 0.0144436700000000, -0.0057489200000000 ] - [ -0.0191902300000000, -0.0315646000000000, -0.0130925700000000 ] - [ 0.0053657100000000, -0.0096871000000000, -0.0077788200000000 ] - [ 0.0007047000000000, -0.0140034200000000, -0.0061112300000000 ] - [ 0.0006138400000000, -0.0142006100000000, -0.0057048000000000 ] - [ -0.0008592400000000, -0.0145765800000000, 0.0057470700000000 ] - [ -0.0007008000000000, -0.0144838400000000, 0.0058434700000000 ] - [ -0.0007612000000000, -0.0143921200000000, 0.0058742800000000 ] - [ -0.0006233300000000, -0.0143064500000000, 0.0058471300000000 ] - [ -0.0097201100000000, 0.1692347700000000, 0.0157464800000000 ] - [ -0.0005732600000000, 0.0021162500000000, 0.0019291600000000 ] - [ -0.0004077700000000, 0.0022044300000000, 0.0007747400000000 ] - [ -0.0005031600000000, 0.0021496200000000, 0.0007628600000000 ] - [ 0.0006485500000000, 0.0022344300000000, -0.0008669800000000 ] - [ 0.0005817200000000, 0.0021844600000000, -0.0008547900000000 ] - [ 0.0004709600000000, 0.0022337800000000, -0.0006485100000000 ] - [ 0.0005216600000000, 0.0022717400000000, -0.0007011600000000 ] - [ 0.0005494200000000, -0.0023279700000000, -0.0006919500000000 ] - [ 0.0003510200000000, -0.0023226600000000, -0.0008351000000000 ] - [ -0.0000965800000000, -0.0025883000000000, -0.0007870900000000 ] - [ 0.0070331400000000, -0.0053788300000000, 0.0032532800000000 ] - [ -0.0007346600000000, -0.0027594300000000, 0.0007457800000000 ] - [ 0.0002415000000000, -0.0026186500000000, 0.0012473500000000 ] - [ -0.0006049100000000, -0.0027608900000000, 0.0004335600000000 ] - [ -0.0005513400000000, -0.0026275300000000, 0.0007971000000000 ] - [ -0.0058056700000000, 0.0013229700000000, -0.0225235100000000 ] - [ -0.0078135400000000, 0.0120865700000000, -0.0203307400000000 ] - [ -0.0079290700000000, 0.0124637400000000, -0.0204235300000000 ] - [ -0.0077964000000000, 0.0124207100000000, -0.0203279500000000 ] - [ 0.0081465000000000, 0.0120358300000000, 0.0196694800000000 ] - [ 0.0068571500000000, 0.0109531000000000, 0.0214313100000000 ] - [ 0.0079453300000000, 0.0122309300000000, 0.0203971500000000 ] - [ 0.0079052000000000, 0.0121829700000000, 0.0203433400000000 ] - [ 0.0071998400000000, -0.0126939300000000, 0.0200591900000000 ] - [ 0.0074828300000000, -0.0120464500000000, 0.0205411600000000 ] - [ 0.0084292700000000, -0.0050437400000000, 0.0215881400000000 ] - [ 0.0080479500000000, -0.0088007400000000, 0.0212069800000000 ] - [ -0.0077795300000000, -0.0125878700000000, -0.0203747300000000 ] - [ -0.0077355000000000, -0.0124353300000000, -0.0204650300000000 ] - [ -0.0080379800000000, -0.0125824900000000, -0.0203641100000000 ] - [ -0.0078094600000000, -0.0123703800000000, -0.0203087100000000 ] - [ -0.0065979900000000, -0.0059050100000000, -0.0221611700000000 ] - [ -0.0066080200000000, -0.0051677500000000, -0.0221089100000000 ] - [ -0.0068555300000000, -0.0053667100000000, -0.0221415700000000 ] - [ -0.0067115400000000, -0.0053087400000000, -0.0221903300000000 ] - [ 0.0005828400000000, -0.0124664200000000, 0.0151645500000000 ] - [ 0.0069578500000000, -0.0062294500000000, 0.0221504900000000 ] - [ 0.0074311500000000, -0.0054788100000000, 0.0226423700000000 ] - [ 0.0068708600000000, -0.0052108300000000, 0.0224984800000000 ] - [ 0.0066078500000000, 0.0052400800000000, 0.0222502100000000 ] - [ 0.0068612700000000, 0.0052351000000000, 0.0224245000000000 ] - [ 0.0068587400000000, 0.0050240700000000, 0.0222329400000000 ] - [ 0.0068330600000000, 0.0049298900000000, 0.0223122100000000 ] - [ -0.0057387600000000, 0.0083587300000000, -0.0229854700000000 ] - [ -0.0076809200000000, 0.0049840200000000, -0.0229685700000000 ] - [ -0.0074248000000000, 0.0062060300000000, -0.0224870300000000 ] - [ -0.0064272400000000, 0.0054876200000000, -0.0220287400000000 ] - [ 0.0199178100000000, 0.0081630000000000, 0.0008673300000000 ] - [ 0.0074397900000000, 0.0024168500000000, -0.0013859100000000 ] - [ 0.0151387300000000, 0.0102392400000000, -0.0009073700000000 ] - [ 0.0151704300000000, 0.0103048900000000, -0.0008573300000000 ] - [ -0.0143924600000000, 0.0091659300000000, 0.0000012000000000 ] - [ -0.0152105500000000, 0.0105912600000000, 0.0004835300000000 ] - [ -0.0153618000000000, 0.0101422800000000, 0.0011757600000000 ] - [ -0.0154536400000000, 0.0101633300000000, 0.0009495900000000 ] - [ 0.0132446800000000, -0.0031807400000000, 0.0077253800000000 ] - [ 0.0124135900000000, -0.0036619400000000, 0.0087128800000000 ] - [ 0.0111273700000000, -0.0064118500000000, 0.0072186200000000 ] - [ 0.0131727200000000, -0.0039215200000000, 0.0089786600000000 ] - [ -0.0107040000000000, -0.0045519100000000, -0.0080506500000000 ] - [ -0.0127769000000000, -0.0034217100000000, -0.0085709100000000 ] - [ -0.0121466000000000, -0.0030948500000000, -0.0093555200000000 ] - [ -0.0131158500000000, -0.0029857600000000, -0.0100699400000000 ] - [ -0.0125200000000000, 0.0042352300000000, -0.0090702200000000 ] - [ -0.0131336100000000, 0.0049648200000000, -0.0087529700000000 ] - [ -0.0126730300000000, 0.0036850200000000, -0.0091364900000000 ] - [ -0.0127216800000000, 0.0037875700000000, -0.0090952100000000 ] - [ 0.0020154100000000, -0.0252747400000000, 0.0214270500000000 ] - [ 0.0176810000000000, 0.0039857600000000, 0.0106236500000000 ] - [ 0.0130115300000000, 0.0032280300000000, 0.0089625000000000 ] - [ 0.0112177000000000, 0.0045003000000000, 0.0089902400000000 ] - [ -0.0004691500000000, 0.0008573600000000, 0.0000521300000000 ] - [ 0.0001808800000000, 0.0001806000000000, 0.0000174100000000 ] - [ -0.0002930100000000, 0.0003330000000000, -0.0002777600000000 ] - [ 0.0000925400000000, 0.0004653500000000, -0.0000614100000000 ] - [ -0.0001750400000000, -0.0002132000000000, -0.0000617400000000 ] - [ 0.0001502200000000, 0.0000091100000000, 0.0002833300000000 ] - [ -0.0008241200000000, -0.0021074000000000, -0.0002079900000000 ] - [ 0.0104671100000000, -0.0374568500000000, 0.0074073300000000 ]- atom: 41 displacement: [ -0.0019892822674104, 0.0000000000000000, 0.0098001406143262 ] forces: - [ 0.0008054000000000, 0.0098019500000000, -0.0180841500000000 ] - [ 0.0011869700000000, 0.0095928400000000, -0.0183286500000000 ] - [ -0.0240548500000000, 0.0521157700000000, 0.0253277100000000 ] - [ 0.0002530400000000, 0.0096923200000000, -0.0194880800000000 ] - [ -0.0009825800000000, 0.0098086000000000, 0.0183060300000000 ] - [ -0.0009546800000000, 0.0097217800000000, 0.0186040500000000 ] - [ -0.0008822000000000, 0.0096892900000000, 0.0184045800000000 ] - [ -0.0008636800000000, 0.0096568200000000, 0.0184478100000000 ] - [ -0.0003112800000000, -0.0094670200000000, 0.0187332200000000 ] - [ -0.0008254900000000, -0.0100781800000000, 0.0179205000000000 ] - [ -0.0013494700000000, -0.0098063600000000, 0.0185151400000000 ] - [ -0.0008582600000000, -0.0096698500000000, 0.0184336900000000 ] - [ 0.0029248700000000, -0.0154041300000000, -0.0154636900000000 ] - [ 0.0004220700000000, -0.0099414200000000, -0.0184952100000000 ] - [ 0.0007129000000000, -0.0096008700000000, -0.0184710900000000 ] - [ 0.0016483600000000, -0.0106739300000000, -0.0185086600000000 ] - [ 0.0156868300000000, -0.0097017100000000, -0.0013531000000000 ] - [ 0.0079775700000000, -0.0138268900000000, 0.0054621800000000 ] - [ 0.0147719400000000, -0.0111068000000000, 0.0009749400000000 ] - [ 0.0142923800000000, -0.0103096200000000, -0.0006942600000000 ] - [ -0.0153904300000000, -0.0101452100000000, 0.0010017300000000 ] - [ -0.0149759700000000, -0.0100650800000000, 0.0008301600000000 ] - [ -0.0153791800000000, -0.0106408300000000, 0.0007806400000000 ] - [ -0.0153861400000000, -0.0104164100000000, 0.0006076200000000 ] - [ -0.0020307300000000, 0.0151858300000000, 0.0065031000000000 ] - [ -0.0006118100000000, 0.0146598000000000, 0.0055221500000000 ] - [ 0.0000923100000000, 0.0100210100000000, 0.0088042600000000 ] - [ -0.0003811200000000, 0.0159614700000000, 0.0055481800000000 ] - [ 0.0009423800000000, 0.0142789200000000, -0.0058607600000000 ] - [ 0.0005717800000000, 0.0141654000000000, -0.0057358900000000 ] - [ 0.0008332100000000, 0.0146956800000000, -0.0055317700000000 ] - [ 0.0003890300000000, 0.0145148200000000, -0.0057428800000000 ] - [ 0.0073394000000000, -0.0121022700000000, 0.0069189400000000 ] - [ -0.0064265500000000, -0.0111203700000000, -0.0099614900000000 ] - [ 0.0008180700000000, -0.0139385000000000, -0.0058807300000000 ] - [ 0.0006565300000000, -0.0144798100000000, -0.0053660200000000 ] - [ -0.0005701900000000, -0.0144670100000000, 0.0056666200000000 ] - [ -0.0004745700000000, -0.0140809000000000, 0.0060674400000000 ] - [ -0.0007632200000000, -0.0143718000000000, 0.0058190800000000 ] - [ -0.0007473800000000, -0.0142259100000000, 0.0059492100000000 ] - [ 0.0492468000000000, -0.0162584500000000, -0.1550126100000000 ] - [ -0.0006253200000000, 0.0011135600000000, 0.0009827000000000 ] - [ -0.0003813400000000, 0.0022789800000000, 0.0011090100000000 ] - [ -0.0004290200000000, 0.0022666500000000, 0.0008248200000000 ] - [ 0.0003608900000000, 0.0021372500000000, -0.0007142600000000 ] - [ 0.0003959400000000, 0.0021667200000000, -0.0008381400000000 ] - [ 0.0004160300000000, 0.0023867100000000, -0.0006311500000000 ] - [ 0.0004736500000000, 0.0023244300000000, -0.0007654100000000 ] - [ 0.0009828600000000, -0.0023207700000000, -0.0011121700000000 ] - [ 0.0002594600000000, -0.0022344300000000, -0.0007780200000000 ] - [ -0.0000943100000000, -0.0023720800000000, -0.0017550600000000 ] - [ 0.0027390800000000, -0.0048763300000000, -0.0005960000000000 ] - [ -0.0010330700000000, -0.0025730700000000, 0.0010200800000000 ] - [ -0.0002733900000000, -0.0022219000000000, 0.0007290700000000 ] - [ -0.0007612500000000, -0.0022332500000000, 0.0010766800000000 ] - [ -0.0005320200000000, -0.0019466800000000, 0.0006847400000000 ] - [ -0.0080964300000000, 0.0118693200000000, -0.0228299500000000 ] - [ -0.0069044300000000, 0.0129051400000000, -0.0203690800000000 ] - [ -0.0076719300000000, 0.0125680600000000, -0.0201857700000000 ] - [ -0.0077376000000000, 0.0124526500000000, -0.0202515500000000 ] - [ 0.0088080500000000, 0.0125329500000000, 0.0194099600000000 ] - [ 0.0078116600000000, 0.0122645300000000, 0.0208645400000000 ] - [ 0.0077702900000000, 0.0123404000000000, 0.0205119500000000 ] - [ 0.0073499100000000, 0.0125810500000000, 0.0203041600000000 ] - [ 0.0085391400000000, -0.0131815900000000, 0.0214204100000000 ] - [ 0.0078925500000000, -0.0122276600000000, 0.0200041200000000 ] - [ -0.0003561000000000, -0.0115366500000000, 0.0253017500000000 ] - [ 0.0137005900000000, -0.0125875100000000, 0.0239863900000000 ] - [ -0.0076950200000000, -0.0125557400000000, -0.0203538300000000 ] - [ -0.0076165700000000, -0.0125533200000000, -0.0201256800000000 ] - [ -0.0079807700000000, -0.0122871000000000, -0.0203677900000000 ] - [ -0.0078388300000000, -0.0123621800000000, -0.0202959300000000 ] - [ -0.0070628400000000, -0.0049062600000000, -0.0223259000000000 ] - [ -0.0067536400000000, -0.0044842700000000, -0.0230941900000000 ] - [ -0.0068034500000000, -0.0053203200000000, -0.0220417400000000 ] - [ -0.0063524000000000, -0.0054469600000000, -0.0220594800000000 ] - [ 0.0124275800000000, 0.0004229500000000, 0.0259306100000000 ] - [ 0.0063557200000000, -0.0047531000000000, 0.0233149700000000 ] - [ 0.0068945600000000, -0.0058029400000000, 0.0222236400000000 ] - [ 0.0066183400000000, -0.0049847100000000, 0.0225757300000000 ] - [ 0.0064983500000000, 0.0052403300000000, 0.0222507500000000 ] - [ 0.0066244600000000, 0.0051542300000000, 0.0221086500000000 ] - [ 0.0067488700000000, 0.0053985800000000, 0.0220975300000000 ] - [ 0.0067793700000000, 0.0054161200000000, 0.0220481000000000 ] - [ -0.0079038900000000, 0.0101456800000000, -0.0111258500000000 ] - [ -0.0071497300000000, 0.0050097600000000, -0.0222187300000000 ] - [ -0.0063966400000000, 0.0061818400000000, -0.0216274800000000 ] - [ -0.0067389700000000, 0.0046841300000000, -0.0219367800000000 ] - [ 0.0127391900000000, 0.0091994400000000, -0.0059158800000000 ] - [ 0.0139055800000000, 0.0075199400000000, -0.0037129000000000 ] - [ 0.0154642800000000, 0.0103614000000000, -0.0006585900000000 ] - [ 0.0152029000000000, 0.0101527400000000, -0.0006273100000000 ] - [ -0.0149125100000000, 0.0106494500000000, 0.0011138700000000 ] - [ -0.0160150600000000, 0.0099501000000000, 0.0012070300000000 ] - [ -0.0154051300000000, 0.0101584000000000, 0.0009981400000000 ] - [ -0.0153826600000000, 0.0101184800000000, 0.0010803700000000 ] - [ 0.0131134500000000, -0.0032595900000000, 0.0079394100000000 ] - [ 0.0119763900000000, -0.0032438100000000, 0.0081953700000000 ] - [ 0.0141761100000000, -0.0021831100000000, 0.0101141200000000 ] - [ 0.0163964500000000, -0.0055410000000000, 0.0093111900000000 ] - [ -0.0145422900000000, -0.0040570600000000, -0.0076706200000000 ] - [ -0.0125133600000000, -0.0039971500000000, -0.0090579400000000 ] - [ -0.0126031900000000, -0.0037043400000000, -0.0087529700000000 ] - [ -0.0127784100000000, -0.0030086400000000, -0.0094897900000000 ] - [ -0.0122322100000000, 0.0036928000000000, -0.0089187200000000 ] - [ -0.0125452800000000, 0.0031329500000000, -0.0085828200000000 ] - [ -0.0125454500000000, 0.0034655500000000, -0.0093122600000000 ] - [ -0.0125594200000000, 0.0036178800000000, -0.0089228900000000 ] - [ -0.0082931900000000, -0.0092708800000000, 0.0535509600000000 ] - [ 0.0154402000000000, 0.0046690600000000, 0.0119251200000000 ] - [ 0.0128140400000000, 0.0036180800000000, 0.0084458800000000 ] - [ 0.0121059700000000, 0.0040664800000000, 0.0083577500000000 ] - [ -0.0006376900000000, 0.0005170900000000, 0.0003235300000000 ] - [ 0.0003169500000000, 0.0004470500000000, 0.0000210900000000 ] - [ -0.0003058100000000, -0.0003150200000000, -0.0004117000000000 ] - [ 0.0001677000000000, -0.0000722300000000, -0.0001047700000000 ] - [ -0.0004866800000000, -0.0006259400000000, -0.0009128700000000 ] - [ 0.0003745500000000, -0.0003212600000000, -0.0003851800000000 ] - [ -0.0059953900000000, -0.0026999200000000, 0.0004837300000000 ] - [ 0.0029495200000000, -0.0067731200000000, 0.0268192800000000 ]- atom: 41 displacement: [ 0.0019892822674104, 0.0000000000000000, -0.0098001406143262 ] forces: - [ 0.0010900500000000, 0.0096977700000000, -0.0187655800000000 ] - [ 0.0007015200000000, 0.0099002600000000, -0.0185187600000000 ] - [ 0.0251740900000000, -0.0312732700000000, -0.0614572500000000 ] - [ 0.0016376300000000, 0.0098120300000000, -0.0173517100000000 ] - [ -0.0009019200000000, 0.0096906000000000, 0.0185411800000000 ] - [ -0.0009337200000000, 0.0097758400000000, 0.0182398600000000 ] - [ -0.0010070300000000, 0.0098133000000000, 0.0184390700000000 ] - [ -0.0010221800000000, 0.0098415800000000, 0.0183984500000000 ] - [ -0.0015787200000000, -0.0100377500000000, 0.0181050200000000 ] - [ -0.0010638500000000, -0.0094205400000000, 0.0189255600000000 ] - [ -0.0005295700000000, -0.0096934100000000, 0.0183283100000000 ] - [ -0.0010289400000000, -0.0098312900000000, 0.0184119900000000 ] - [ -0.0010787700000000, -0.0040111600000000, -0.0214036200000000 ] - [ 0.0014666100000000, -0.0095571200000000, -0.0183373100000000 ] - [ 0.0011632000000000, -0.0099047200000000, -0.0183832200000000 ] - [ 0.0002364200000000, -0.0088203800000000, -0.0183374600000000 ] - [ 0.0149433200000000, -0.0108495900000000, -0.0003872800000000 ] - [ 0.0227507500000000, -0.0066801800000000, -0.0073307200000000 ] - [ 0.0158213800000000, -0.0094617100000000, -0.0026661800000000 ] - [ 0.0163555000000000, -0.0102178600000000, -0.0010377700000000 ] - [ -0.0152509000000000, -0.0103960500000000, 0.0007453400000000 ] - [ -0.0156692200000000, -0.0104762700000000, 0.0009134700000000 ] - [ -0.0152616500000000, -0.0098962700000000, 0.0009601800000000 ] - [ -0.0152477500000000, -0.0101245000000000, 0.0011381500000000 ] - [ 0.0007066200000000, 0.0133883700000000, 0.0051109200000000 ] - [ -0.0007592700000000, 0.0139408000000000, 0.0061088000000000 ] - [ -0.0014258700000000, 0.0185374300000000, 0.0028550700000000 ] - [ -0.0009751200000000, 0.0126495200000000, 0.0060758600000000 ] - [ 0.0004121300000000, 0.0143246800000000, -0.0057656300000000 ] - [ 0.0007916000000000, 0.0144421000000000, -0.0058915400000000 ] - [ 0.0005282300000000, 0.0139060700000000, -0.0060999300000000 ] - [ 0.0009698200000000, 0.0140871500000000, -0.0058912200000000 ] - [ -0.0057664300000000, -0.0162818300000000, -0.0184827800000000 ] - [ 0.0078589700000000, -0.0175090500000000, -0.0016022200000000 ] - [ 0.0005458600000000, -0.0146626600000000, -0.0057567800000000 ] - [ 0.0007050800000000, -0.0141249600000000, -0.0062569100000000 ] - [ -0.0007921400000000, -0.0141343100000000, 0.0059611300000000 ] - [ -0.0008869900000000, -0.0145192000000000, 0.0055633300000000 ] - [ -0.0005975000000000, -0.0142340500000000, 0.0058104100000000 ] - [ -0.0006132100000000, -0.0143807700000000, 0.0056765500000000 ] - [ -0.0511665600000000, 0.0184010900000000, 0.1574488600000000 ] - [ -0.0002879700000000, 0.0034625100000000, 0.0005403100000000 ] - [ -0.0005485800000000, 0.0022957800000000, 0.0004148600000000 ] - [ -0.0005062300000000, 0.0023095800000000, 0.0006989100000000 ] - [ 0.0005700100000000, 0.0024392100000000, -0.0008085400000000 ] - [ 0.0005322400000000, 0.0024095700000000, -0.0006851500000000 ] - [ 0.0005141400000000, 0.0021868100000000, -0.0008963500000000 ] - [ 0.0004559100000000, 0.0022492200000000, -0.0007600900000000 ] - [ -0.0000637600000000, -0.0022504400000000, -0.0004060000000000 ] - [ 0.0006766700000000, -0.0023391400000000, -0.0007472200000000 ] - [ 0.0010157700000000, -0.0022159600000000, 0.0002333400000000 ] - [ -0.0018391200000000, 0.0003326300000000, -0.0009569200000000 ] - [ 0.0001217700000000, -0.0019979700000000, 0.0005030600000000 ] - [ -0.0006625700000000, -0.0023498700000000, 0.0007861300000000 ] - [ -0.0001616600000000, -0.0023450300000000, 0.0004463000000000 ] - [ -0.0004020700000000, -0.0026335000000000, 0.0008449600000000 ] - [ -0.0075820800000000, 0.0129096400000000, -0.0178913100000000 ] - [ -0.0087610800000000, 0.0118334800000000, -0.0203443300000000 ] - [ -0.0080009000000000, 0.0121619500000000, -0.0205311500000000 ] - [ -0.0079344900000000, 0.0122765500000000, -0.0204643800000000 ] - [ 0.0068659400000000, 0.0121949900000000, 0.0213241900000000 ] - [ 0.0078637700000000, 0.0124628900000000, 0.0198501100000000 ] - [ 0.0079050800000000, 0.0123816700000000, 0.0201987700000000 ] - [ 0.0083215000000000, 0.0121443600000000, 0.0204088200000000 ] - [ 0.0071075900000000, -0.0115300200000000, 0.0192852200000000 ] - [ 0.0077777600000000, -0.0124994600000000, 0.0207117100000000 ] - [ 0.0159049800000000, -0.0130634800000000, 0.0155041200000000 ] - [ 0.0019888000000000, -0.0121391300000000, 0.0167280600000000 ] - [ -0.0079775200000000, -0.0121714500000000, -0.0203564600000000 ] - [ -0.0080549300000000, -0.0121759600000000, -0.0205882400000000 ] - [ -0.0076877100000000, -0.0124423900000000, -0.0203449700000000 ] - [ -0.0078270100000000, -0.0123695500000000, -0.0204188600000000 ] - [ -0.0064127100000000, -0.0056747600000000, -0.0220952500000000 ] - [ -0.0067219500000000, -0.0060881500000000, -0.0213278000000000 ] - [ -0.0066758000000000, -0.0052481600000000, -0.0223839500000000 ] - [ -0.0071314600000000, -0.0051214200000000, -0.0223652500000000 ] - [ 0.0009880600000000, -0.0110759000000000, 0.0185015000000000 ] - [ 0.0071276000000000, -0.0058125500000000, 0.0210998100000000 ] - [ 0.0065838600000000, -0.0047713800000000, 0.0222012300000000 ] - [ 0.0068605400000000, -0.0055837300000000, 0.0218457800000000 ] - [ 0.0069884500000000, 0.0053269100000000, 0.0221758800000000 ] - [ 0.0068540700000000, 0.0054155200000000, 0.0223180600000000 ] - [ 0.0067257900000000, 0.0051767900000000, 0.0223233100000000 ] - [ 0.0066973100000000, 0.0051576300000000, 0.0223721800000000 ] - [ -0.0055442100000000, 0.0003445300000000, -0.0335095200000000 ] - [ -0.0063082700000000, 0.0055544700000000, -0.0221911400000000 ] - [ -0.0070886800000000, 0.0043946800000000, -0.0227959200000000 ] - [ -0.0067283700000000, 0.0058904700000000, -0.0224821500000000 ] - [ 0.0178445500000000, 0.0113280300000000, 0.0041659000000000 ] - [ 0.0166923200000000, 0.0130016000000000, 0.0020013600000000 ] - [ 0.0151741300000000, 0.0101723100000000, -0.0010890200000000 ] - [ 0.0154379200000000, 0.0103868800000000, -0.0011211200000000 ] - [ -0.0157331900000000, 0.0098848000000000, 0.0006349600000000 ] - [ -0.0146201800000000, 0.0105910100000000, 0.0005415800000000 ] - [ -0.0152358500000000, 0.0103806600000000, 0.0007484200000000 ] - [ -0.0152541800000000, 0.0104222200000000, 0.0006616500000000 ] - [ 0.0121555800000000, -0.0038900800000000, 0.0098292500000000 ] - [ 0.0133100100000000, -0.0039058500000000, 0.0095724600000000 ] - [ 0.0111004300000000, -0.0049427300000000, 0.0076811400000000 ] - [ 0.0088836600000000, -0.0016020100000000, 0.0084327100000000 ] - [ -0.0107123300000000, -0.0030995300000000, -0.0100972100000000 ] - [ -0.0127591600000000, -0.0031439000000000, -0.0087023200000000 ] - [ -0.0126665100000000, -0.0034419900000000, -0.0090055700000000 ] - [ -0.0124956600000000, -0.0041442600000000, -0.0082699300000000 ] - [ -0.0130422100000000, 0.0034535800000000, -0.0088419300000000 ] - [ -0.0127197800000000, 0.0040097800000000, -0.0091796400000000 ] - [ -0.0127255200000000, 0.0036836900000000, -0.0084374900000000 ] - [ -0.0127112100000000, 0.0035298300000000, -0.0088350500000000 ] - [ 0.0349716700000000, 0.0174709000000000, -0.0375298000000000 ] - [ 0.0098056200000000, 0.0024884200000000, 0.0058254600000000 ] - [ 0.0124547000000000, 0.0035276600000000, 0.0093192300000000 ] - [ 0.0131465400000000, 0.0031041800000000, 0.0094214900000000 ] - [ 0.0006356900000000, -0.0005311200000000, -0.0003314100000000 ] - [ -0.0003217200000000, -0.0004501400000000, -0.0000254900000000 ] - [ 0.0003059700000000, 0.0003158800000000, 0.0004169100000000 ] - [ -0.0001682500000000, 0.0000716400000000, 0.0001031900000000 ] - [ 0.0004998300000000, 0.0006329500000000, 0.0009323800000000 ] - [ -0.0003850400000000, 0.0003293500000000, 0.0003913400000000 ] - [ 0.0059926200000000, 0.0026742200000000, -0.0004916100000000 ] - [ -0.0027003700000000, 0.0065698300000000, -0.0267211500000000 ]- atom: 57 displacement: [ 0.0099999991596329, 0.0000000000000000, 0.0000040996757033 ] forces: - [ -0.0011748500000000, 0.0093503300000000, -0.0185648700000000 ] - [ 0.0010539900000000, 0.0097832200000000, -0.0184466600000000 ] - [ 0.0015805800000000, 0.0096569700000000, -0.0181672200000000 ] - [ 0.0003556700000000, 0.0092396000000000, -0.0191181100000000 ] - [ -0.0067063500000000, 0.0145590700000000, 0.0204788000000000 ] - [ -0.0005493100000000, 0.0098273600000000, 0.0182645400000000 ] - [ -0.0004011600000000, 0.0091569500000000, 0.0181503700000000 ] - [ -0.0008571100000000, 0.0096496100000000, 0.0186609700000000 ] - [ 0.0304491000000000, 0.0112394200000000, 0.0066646700000000 ] - [ 0.0001794500000000, -0.0107024100000000, 0.0177850700000000 ] - [ -0.0009360600000000, -0.0096153100000000, 0.0183582900000000 ] - [ -0.0009870400000000, -0.0098657600000000, 0.0184161600000000 ] - [ 0.0008462700000000, -0.0099368900000000, -0.0184922300000000 ] - [ 0.0008971400000000, -0.0096334400000000, -0.0184761200000000 ] - [ 0.0010779300000000, -0.0098222100000000, -0.0184600500000000 ] - [ 0.0009057700000000, -0.0096340400000000, -0.0181843600000000 ] - [ 0.0157316400000000, -0.0103728300000000, -0.0015195300000000 ] - [ 0.0151653000000000, -0.0103173400000000, -0.0008549500000000 ] - [ 0.0155170600000000, -0.0102309500000000, -0.0006635000000000 ] - [ 0.0153917900000000, -0.0099632600000000, -0.0006632400000000 ] - [ -0.0150621000000000, -0.0097671400000000, 0.0008534700000000 ] - [ -0.0155888700000000, -0.0099789400000000, 0.0007544900000000 ] - [ -0.0242923900000000, -0.0136656200000000, 0.0031163400000000 ] - [ -0.0146223400000000, -0.0100946300000000, 0.0008855900000000 ] - [ -0.0008366900000000, 0.0148351300000000, 0.0062260400000000 ] - [ 0.0001385600000000, 0.0141518300000000, 0.0063887800000000 ] - [ -0.0036495600000000, 0.0130829800000000, 0.0055375200000000 ] - [ -0.0001519100000000, 0.0149062100000000, 0.0055501000000000 ] - [ 0.0006243800000000, 0.0140278800000000, -0.0057998200000000 ] - [ 0.0006741500000000, 0.0142161100000000, -0.0060301100000000 ] - [ 0.0007291900000000, 0.0142891600000000, -0.0059143200000000 ] - [ 0.0003326900000000, 0.0145989400000000, -0.0055908200000000 ] - [ 0.0066645400000000, -0.0211536300000000, -0.0041379500000000 ] - [ 0.0035897200000000, -0.0075269800000000, -0.0084562100000000 ] - [ 0.0007817200000000, -0.0142030400000000, -0.0056026300000000 ] - [ 0.0005430000000000, -0.0142756800000000, -0.0057429800000000 ] - [ -0.0005422000000000, -0.0147666200000000, 0.0059917000000000 ] - [ -0.0013539900000000, -0.0143397100000000, 0.0059917800000000 ] - [ -0.0006078900000000, -0.0143085400000000, 0.0055996400000000 ] - [ -0.0007364800000000, -0.0142573900000000, 0.0057855400000000 ] - [ -0.0033355700000000, 0.0002593600000000, -0.0000961200000000 ] - [ 0.0008238500000000, 0.0022749100000000, 0.0019648600000000 ] - [ -0.0005198600000000, 0.0023834000000000, 0.0009130200000000 ] - [ -0.0003671500000000, 0.0022449600000000, 0.0008699800000000 ] - [ 0.0005688900000000, 0.0026277900000000, 0.0002753700000000 ] - [ 0.0014732800000000, 0.0013085800000000, -0.0005841900000000 ] - [ 0.0005401000000000, 0.0023946700000000, -0.0008047300000000 ] - [ 0.0001598400000000, 0.0023583000000000, -0.0013062000000000 ] - [ 0.0005690100000000, -0.0016448500000000, 0.0000119900000000 ] - [ 0.0001276800000000, -0.0019289200000000, -0.0007748300000000 ] - [ 0.0060616300000000, -0.0028924500000000, -0.0078824100000000 ] - [ 0.0037876500000000, -0.0025061700000000, 0.0059365100000000 ] - [ -0.0003629900000000, -0.0024914900000000, 0.0006198400000000 ] - [ -0.0002992200000000, -0.0022611000000000, 0.0007800200000000 ] - [ -0.0003798900000000, -0.0022362000000000, 0.0009100900000000 ] - [ -0.0004617900000000, -0.0021866400000000, 0.0009702500000000 ] - [ -0.1379188600000000, 0.0168356300000000, -0.0253754600000000 ] - [ -0.0067083100000000, 0.0126566900000000, -0.0198961200000000 ] - [ -0.0076781400000000, 0.0124919100000000, -0.0200933400000000 ] - [ -0.0075937500000000, 0.0125519000000000, -0.0202391200000000 ] - [ 0.0079693800000000, 0.0122878800000000, 0.0204484600000000 ] - [ 0.0079676600000000, 0.0122980900000000, 0.0205594200000000 ] - [ 0.0069015500000000, 0.0122613000000000, 0.0201508000000000 ] - [ 0.0079952900000000, 0.0124680400000000, 0.0204130800000000 ] - [ 0.0117398300000000, -0.0110207900000000, 0.0206612600000000 ] - [ 0.0076439100000000, -0.0126215100000000, 0.0202797200000000 ] - [ 0.0080311900000000, -0.0126681700000000, 0.0200480500000000 ] - [ 0.0093372000000000, -0.0076728100000000, 0.0243232300000000 ] - [ -0.0046526200000000, -0.0121974000000000, -0.0188983900000000 ] - [ -0.0082243600000000, -0.0121253500000000, -0.0203336500000000 ] - [ -0.0046598700000000, -0.0122431200000000, -0.0195701300000000 ] - [ -0.0082237000000000, -0.0125515800000000, -0.0202227900000000 ] - [ -0.0068565600000000, -0.0053421500000000, -0.0220044200000000 ] - [ -0.0067049600000000, -0.0051316600000000, -0.0223472500000000 ] - [ -0.0058281600000000, -0.0055103200000000, -0.0219968200000000 ] - [ -0.0068561400000000, -0.0055230000000000, -0.0224485100000000 ] - [ 0.0426553400000000, -0.0112913700000000, 0.0463787300000000 ] - [ 0.0074555800000000, -0.0066157900000000, 0.0208391200000000 ] - [ 0.0069586000000000, -0.0053146200000000, 0.0223333500000000 ] - [ 0.0065910500000000, -0.0053867600000000, 0.0223923400000000 ] - [ 0.0049750800000000, 0.0058351300000000, 0.0220592900000000 ] - [ 0.0068175000000000, 0.0052424700000000, 0.0222047200000000 ] - [ 0.0067483100000000, 0.0057338200000000, 0.0224552900000000 ] - [ 0.0067804700000000, 0.0053899500000000, 0.0224160900000000 ] - [ -0.0161778300000000, 0.0032963400000000, -0.0257203000000000 ] - [ -0.0072778200000000, 0.0058130400000000, -0.0224163500000000 ] - [ -0.0063100600000000, 0.0057163800000000, -0.0222319800000000 ] - [ -0.0069337800000000, 0.0049113600000000, -0.0223852300000000 ] - [ 0.0154585500000000, 0.0103391000000000, -0.0007806400000000 ] - [ 0.0151293400000000, 0.0105602200000000, -0.0009336500000000 ] - [ 0.0160844200000000, 0.0105827900000000, -0.0009995300000000 ] - [ 0.0153873900000000, 0.0102819400000000, -0.0009471700000000 ] - [ 0.0145808300000000, -0.0104050500000000, -0.0189515800000000 ] - [ -0.0146088900000000, 0.0106511000000000, 0.0007077400000000 ] - [ -0.0154018300000000, 0.0101313100000000, 0.0007817600000000 ] - [ -0.0154613900000000, 0.0101921400000000, 0.0008863100000000 ] - [ 0.0130540800000000, -0.0029916200000000, 0.0090456500000000 ] - [ 0.0123591500000000, -0.0031152100000000, 0.0091831900000000 ] - [ 0.0126892200000000, -0.0033876600000000, 0.0087313100000000 ] - [ 0.0125038600000000, -0.0040612300000000, 0.0088730000000000 ] - [ -0.0116171200000000, -0.0049245600000000, -0.0071681600000000 ] - [ -0.0097903800000000, -0.0061474300000000, -0.0104869000000000 ] - [ -0.0129999000000000, -0.0039029600000000, -0.0085337500000000 ] - [ -0.0113130400000000, -0.0014663300000000, -0.0096035200000000 ] - [ -0.0138237100000000, 0.0020383000000000, -0.0102482300000000 ] - [ -0.0115281200000000, 0.0020418600000000, -0.0075559200000000 ] - [ -0.0123654400000000, 0.0031970300000000, -0.0088072100000000 ] - [ -0.0127573600000000, 0.0035978900000000, -0.0085192700000000 ] - [ 0.0140014800000000, 0.0032528300000000, 0.0110382200000000 ] - [ 0.0122081700000000, 0.0036793000000000, 0.0084381300000000 ] - [ 0.0126670600000000, 0.0035809700000000, 0.0087778100000000 ] - [ 0.0121822500000000, 0.0033975800000000, 0.0082312300000000 ] - [ 0.0009522500000000, 0.0000071700000000, -0.0006053800000000 ] - [ -0.0005700700000000, 0.0004120900000000, -0.0001530500000000 ] - [ 0.0002656100000000, 0.0002748800000000, -0.0002908500000000 ] - [ -0.0009876100000000, -0.0014992500000000, 0.0007700400000000 ] - [ -0.0007031000000000, -0.0004075900000000, -0.0001414400000000 ] - [ 0.0006308900000000, -0.0001766300000000, -0.0004670300000000 ] - [ -0.0026776300000000, 0.0014056400000000, 0.0008358500000000 ] - [ 0.0259292100000000, 0.0044453100000000, 0.0047323100000000 ]- atom: 57 displacement: [ -0.0099999991596329, 0.0000000000000000, -0.0000040996757033 ] forces: - [ 0.0030709800000000, 0.0101788800000000, -0.0182692000000000 ] - [ 0.0008451700000000, 0.0097367900000000, -0.0183812800000000 ] - [ 0.0003262900000000, 0.0098608200000000, -0.0186714700000000 ] - [ 0.0015450000000000, 0.0102776800000000, -0.0177114500000000 ] - [ 0.0047415700000000, 0.0049907300000000, 0.0163294500000000 ] - [ -0.0013426700000000, 0.0096765400000000, 0.0185779300000000 ] - [ -0.0014967600000000, 0.0103592800000000, 0.0186739300000000 ] - [ -0.0010406000000000, 0.0098638900000000, 0.0181794800000000 ] - [ -0.0328840800000000, -0.0315155200000000, 0.0304920900000000 ] - [ -0.0020278700000000, -0.0088337400000000, 0.0190652200000000 ] - [ -0.0009652600000000, -0.0098992200000000, 0.0184731900000000 ] - [ -0.0009180900000000, -0.0096526000000000, 0.0184147600000000 ] - [ 0.0010551500000000, -0.0095881700000000, -0.0183438500000000 ] - [ 0.0009973300000000, -0.0098820600000000, -0.0183498700000000 ] - [ 0.0008169200000000, -0.0096874100000000, -0.0183772100000000 ] - [ 0.0009922500000000, -0.0098874200000000, -0.0186410600000000 ] - [ 0.0148899700000000, -0.0101689200000000, -0.0002234300000000 ] - [ 0.0154470900000000, -0.0102069400000000, -0.0008934800000000 ] - [ 0.0151013100000000, -0.0103007300000000, -0.0010892600000000 ] - [ 0.0152270900000000, -0.0105588700000000, -0.0010870600000000 ] - [ -0.0155579300000000, -0.0107748000000000, 0.0008887200000000 ] - [ -0.0150146000000000, -0.0105568600000000, 0.0009976300000000 ] - [ -0.0062994300000000, -0.0068641200000000, -0.0013740800000000 ] - [ -0.0159847700000000, -0.0104487500000000, 0.0008526300000000 ] - [ -0.0005120700000000, 0.0137760700000000, 0.0053977600000000 ] - [ -0.0014483100000000, 0.0144401800000000, 0.0052228600000000 ] - [ 0.0022967200000000, 0.0155197100000000, 0.0060764300000000 ] - [ -0.0011743300000000, 0.0136938500000000, 0.0060842800000000 ] - [ 0.0006970900000000, 0.0145617400000000, -0.0058160800000000 ] - [ 0.0006435600000000, 0.0143748200000000, -0.0055934900000000 ] - [ 0.0005920100000000, 0.0143005900000000, -0.0057052900000000 ] - [ 0.0009880500000000, 0.0139910300000000, -0.0060347700000000 ] - [ -0.0053758700000000, -0.0074038100000000, -0.0075688100000000 ] - [ -0.0022591900000000, -0.0209934900000000, -0.0032071500000000 ] - [ 0.0005358300000000, -0.0143977800000000, -0.0060029600000000 ] - [ 0.0007866600000000, -0.0143248400000000, -0.0058741500000000 ] - [ -0.0007910300000000, -0.0138304800000000, 0.0056173700000000 ] - [ 0.0000367400000000, -0.0142474500000000, 0.0056327400000000 ] - [ -0.0007160000000000, -0.0142867200000000, 0.0060226200000000 ] - [ -0.0005907200000000, -0.0143366400000000, 0.0058341400000000 ] - [ 0.0024211800000000, 0.0042830700000000, 0.0016024100000000 ] - [ -0.0016983300000000, 0.0023054400000000, -0.0004430700000000 ] - [ -0.0003801400000000, 0.0021844500000000, 0.0006084200000000 ] - [ -0.0005162600000000, 0.0023137100000000, 0.0006456500000000 ] - [ 0.0003262600000000, 0.0019723100000000, -0.0017584800000000 ] - [ -0.0005741700000000, 0.0032679600000000, -0.0009505000000000 ] - [ 0.0003596100000000, 0.0021718200000000, -0.0007066100000000 ] - [ 0.0007308800000000, 0.0022123000000000, -0.0002016700000000 ] - [ 0.0003114800000000, -0.0029056500000000, -0.0015072500000000 ] - [ 0.0007862300000000, -0.0026326100000000, -0.0007589300000000 ] - [ -0.0051807500000000, -0.0017009600000000, 0.0064219500000000 ] - [ -0.0028596700000000, -0.0020690300000000, -0.0073705200000000 ] - [ -0.0005215500000000, -0.0020834800000000, 0.0008907800000000 ] - [ -0.0005958200000000, -0.0023071700000000, 0.0007296100000000 ] - [ -0.0005158000000000, -0.0023372300000000, 0.0005978800000000 ] - [ -0.0004264700000000, -0.0023793300000000, 0.0005324900000000 ] - [ 0.1228836200000000, 0.0084676600000000, -0.0145803600000000 ] - [ -0.0089485500000000, 0.0120784600000000, -0.0208135500000000 ] - [ -0.0079853800000000, 0.0122525300000000, -0.0206066300000000 ] - [ -0.0080656600000000, 0.0121960000000000, -0.0204548700000000 ] - [ 0.0076955700000000, 0.0124614500000000, 0.0202503100000000 ] - [ 0.0076974700000000, 0.0124383100000000, 0.0201383400000000 ] - [ 0.0087630800000000, 0.0124867200000000, 0.0205452900000000 ] - [ 0.0076684900000000, 0.0122743200000000, 0.0202930800000000 ] - [ 0.0039442900000000, -0.0137286200000000, 0.0200360500000000 ] - [ 0.0080214000000000, -0.0121243300000000, 0.0204199200000000 ] - [ 0.0076441300000000, -0.0120656600000000, 0.0206611200000000 ] - [ 0.0063161700000000, -0.0170968000000000, 0.0163470900000000 ] - [ -0.0109997000000000, -0.0125418300000000, -0.0217882500000000 ] - [ -0.0074470200000000, -0.0126187600000000, -0.0203669200000000 ] - [ -0.0110069100000000, -0.0125072100000000, -0.0211231300000000 ] - [ -0.0074455000000000, -0.0121880800000000, -0.0204805600000000 ] - [ -0.0066122600000000, -0.0052540300000000, -0.0223902500000000 ] - [ -0.0067549500000000, -0.0054676500000000, -0.0220592700000000 ] - [ -0.0076347700000000, -0.0050886700000000, -0.0223959800000000 ] - [ -0.0066142900000000, -0.0050711600000000, -0.0219577900000000 ] - [ -0.0297626500000000, 0.0011074700000000, -0.0029412300000000 ] - [ 0.0060636500000000, -0.0039613900000000, 0.0235348200000000 ] - [ 0.0065092600000000, -0.0052773500000000, 0.0220684900000000 ] - [ 0.0068803700000000, -0.0052031700000000, 0.0220173600000000 ] - [ 0.0084864900000000, 0.0047583800000000, 0.0223411600000000 ] - [ 0.0066488900000000, 0.0053536100000000, 0.0221919900000000 ] - [ 0.0067135600000000, 0.0048867500000000, 0.0219340300000000 ] - [ 0.0066930700000000, 0.0051871700000000, 0.0219885200000000 ] - [ 0.0026988000000000, 0.0073005900000000, -0.0186787900000000 ] - [ -0.0061838200000000, 0.0047859900000000, -0.0219792600000000 ] - [ -0.0071660800000000, 0.0048655300000000, -0.0221808800000000 ] - [ -0.0065411000000000, 0.0056721800000000, -0.0220215900000000 ] - [ 0.0151543100000000, 0.0101929500000000, -0.0009666900000000 ] - [ 0.0154845200000000, 0.0099707300000000, -0.0008128900000000 ] - [ 0.0145408700000000, 0.0099536600000000, -0.0007488500000000 ] - [ 0.0152334500000000, 0.0102588400000000, -0.0007957200000000 ] - [ -0.0448416000000000, 0.0302736100000000, 0.0202224100000000 ] - [ -0.0160048800000000, 0.0098645300000000, 0.0010530800000000 ] - [ -0.0152127100000000, 0.0103956300000000, 0.0009673700000000 ] - [ -0.0151572200000000, 0.0103447400000000, 0.0008631900000000 ] - [ 0.0122136900000000, -0.0041590600000000, 0.0087228900000000 ] - [ 0.0129086800000000, -0.0040273500000000, 0.0086054200000000 ] - [ 0.0125753500000000, -0.0037536900000000, 0.0090378600000000 ] - [ 0.0127679600000000, -0.0030828700000000, 0.0088997300000000 ] - [ -0.0137008000000000, -0.0022558900000000, -0.0106750100000000 ] - [ -0.0154942500000000, -0.0010117700000000, -0.0072880800000000 ] - [ -0.0123001900000000, -0.0032292200000000, -0.0092160700000000 ] - [ -0.0139622300000000, -0.0056870300000000, -0.0082171200000000 ] - [ -0.0115271500000000, 0.0050630000000000, -0.0074436500000000 ] - [ -0.0137693100000000, 0.0051743600000000, -0.0101993400000000 ] - [ -0.0129056800000000, 0.0039451600000000, -0.0089695200000000 ] - [ -0.0125149000000000, 0.0035465100000000, -0.0092462200000000 ] - [ 0.0112629200000000, 0.0038767300000000, 0.0067317200000000 ] - [ 0.0130266800000000, 0.0034879600000000, 0.0093413300000000 ] - [ 0.0126046900000000, 0.0035626600000000, 0.0090045800000000 ] - [ 0.0130892500000000, 0.0037437900000000, 0.0095400400000000 ] - [ -0.0009444100000000, -0.0000064500000000, 0.0005923600000000 ] - [ 0.0005751700000000, -0.0004209800000000, 0.0001590300000000 ] - [ -0.0002658900000000, -0.0002787600000000, 0.0002807100000000 ] - [ 0.0009878300000000, 0.0014942300000000, -0.0007628800000000 ] - [ 0.0006968300000000, 0.0004093200000000, 0.0001428500000000 ] - [ -0.0006355100000000, 0.0001846300000000, 0.0004657500000000 ] - [ 0.0026812700000000, -0.0014134500000000, -0.0008395300000000 ] - [ -0.0256262900000000, -0.0040458100000000, -0.0043470500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003852200000000, 0.0098224300000000, -0.0183468600000000 ] - [ 0.0009490900000000, 0.0099505100000000, -0.0183684500000000 ] - [ 0.0004755000000000, 0.0108156200000000, -0.0169035900000000 ] - [ 0.0005498600000000, 0.0092438800000000, -0.0185735000000000 ] - [ 0.0029830000000000, 0.0129101800000000, 0.0239929600000000 ] - [ -0.0018896400000000, 0.0098266200000000, 0.0184921300000000 ] - [ -0.0012215000000000, 0.0100218900000000, 0.0178880900000000 ] - [ -0.0008654900000000, 0.0095770000000000, 0.0187630900000000 ] - [ 0.0193037900000000, 0.0244055800000000, 0.0023099000000000 ] - [ -0.0026504700000000, -0.0098157100000000, 0.0174879700000000 ] - [ -0.0007198800000000, -0.0098579000000000, 0.0184444700000000 ] - [ -0.0011468400000000, -0.0091077000000000, 0.0184547000000000 ] - [ 0.0006003100000000, -0.0093748400000000, -0.0187281200000000 ] - [ 0.0008596500000000, -0.0094296400000000, -0.0186825700000000 ] - [ 0.0008734700000000, -0.0096942900000000, -0.0184029800000000 ] - [ 0.0013344600000000, -0.0097501600000000, -0.0181998100000000 ] - [ 0.0153933900000000, -0.0104798400000000, -0.0009724600000000 ] - [ 0.0155700400000000, -0.0099452000000000, -0.0012391700000000 ] - [ 0.0154230400000000, -0.0101758700000000, -0.0006610600000000 ] - [ 0.0152744500000000, -0.0105935500000000, -0.0010202000000000 ] - [ -0.0149471900000000, -0.0100272900000000, 0.0010791200000000 ] - [ -0.0157792500000000, -0.0100064700000000, 0.0002965100000000 ] - [ -0.0173432000000000, -0.0064782000000000, -0.0047260700000000 ] - [ -0.0145044000000000, -0.0100310000000000, 0.0013161600000000 ] - [ -0.0007004900000000, 0.0135921600000000, 0.0066682000000000 ] - [ -0.0012003800000000, 0.0142832400000000, 0.0053538500000000 ] - [ -0.0021367900000000, 0.0118914300000000, 0.0095865900000000 ] - [ -0.0002111000000000, 0.0145704500000000, 0.0057263600000000 ] - [ 0.0006591300000000, 0.0144039000000000, -0.0058977800000000 ] - [ 0.0006967800000000, 0.0145099500000000, -0.0056161900000000 ] - [ 0.0006419100000000, 0.0144108400000000, -0.0058174600000000 ] - [ 0.0008993900000000, 0.0146020300000000, -0.0056903200000000 ] - [ -0.0041774600000000, -0.0104957100000000, -0.0084843500000000 ] - [ 0.0055768000000000, -0.0095782700000000, -0.0080979800000000 ] - [ 0.0008551200000000, -0.0142476500000000, -0.0058779000000000 ] - [ 0.0006015400000000, -0.0143068600000000, -0.0058476500000000 ] - [ -0.0005044900000000, -0.0134086400000000, 0.0061420500000000 ] - [ -0.0008633900000000, -0.0147931600000000, 0.0061102000000000 ] - [ -0.0007144800000000, -0.0142173800000000, 0.0057697100000000 ] - [ -0.0007090400000000, -0.0142564100000000, 0.0058138700000000 ] - [ -0.0022800400000000, 0.0133203600000000, -0.0001592700000000 ] - [ 0.0004989800000000, 0.0025724800000000, 0.0015083000000000 ] - [ -0.0004180100000000, 0.0021929100000000, 0.0009833300000000 ] - [ -0.0004974300000000, 0.0022400000000000, 0.0008479800000000 ] - [ 0.0004192200000000, 0.0026354000000000, -0.0009410400000000 ] - [ 0.0000993200000000, 0.0037002400000000, -0.0007460500000000 ] - [ 0.0005218400000000, 0.0024218400000000, -0.0007327200000000 ] - [ 0.0003256500000000, 0.0024714100000000, -0.0010148000000000 ] - [ 0.0009760500000000, -0.0019685600000000, -0.0015015200000000 ] - [ 0.0007291300000000, -0.0026069800000000, -0.0005719300000000 ] - [ -0.0001620500000000, -0.0096116200000000, -0.0001533300000000 ] - [ 0.0000931700000000, -0.0058391800000000, -0.0010716400000000 ] - [ -0.0003537200000000, -0.0020700600000000, 0.0007085000000000 ] - [ -0.0006291000000000, -0.0022858600000000, 0.0007278500000000 ] - [ -0.0006259000000000, -0.0020703000000000, 0.0009298100000000 ] - [ -0.0005839400000000, -0.0022236500000000, 0.0009314500000000 ] - [ -0.0038690700000000, -0.1333096000000000, -0.0311945400000000 ] - [ -0.0075444200000000, 0.0120464400000000, -0.0200492000000000 ] - [ -0.0077161000000000, 0.0123653900000000, -0.0202932000000000 ] - [ -0.0076581400000000, 0.0120869300000000, -0.0204261100000000 ] - [ 0.0079229600000000, 0.0123400200000000, 0.0205562700000000 ] - [ 0.0079040300000000, 0.0125509000000000, 0.0202345500000000 ] - [ 0.0079482600000000, 0.0123900900000000, 0.0203527300000000 ] - [ 0.0077403400000000, 0.0124312700000000, 0.0203549500000000 ] - [ 0.0092034600000000, -0.0118286500000000, 0.0204342300000000 ] - [ 0.0075877800000000, -0.0124589300000000, 0.0202067900000000 ] - [ 0.0075336100000000, -0.0125687000000000, 0.0206822800000000 ] - [ 0.0125560000000000, -0.0056247600000000, 0.0269803900000000 ] - [ -0.0079933800000000, -0.0114687900000000, -0.0203130700000000 ] - [ -0.0076523800000000, -0.0119703700000000, -0.0197934000000000 ] - [ -0.0079995800000000, -0.0114750200000000, -0.0207211300000000 ] - [ -0.0080850100000000, -0.0119650300000000, -0.0205586800000000 ] - [ -0.0068490000000000, -0.0048733500000000, -0.0223694600000000 ] - [ -0.0066656100000000, -0.0051112200000000, -0.0221982000000000 ] - [ -0.0069228500000000, -0.0052514000000000, -0.0223443300000000 ] - [ -0.0066181100000000, -0.0053418400000000, -0.0222714400000000 ] - [ -0.0025839700000000, 0.0110295800000000, 0.0094804800000000 ] - [ 0.0058804900000000, -0.0084970000000000, 0.0214718600000000 ] - [ 0.0069310500000000, -0.0057479800000000, 0.0215882100000000 ] - [ 0.0065980200000000, -0.0053743500000000, 0.0223434700000000 ] - [ 0.0070607900000000, 0.0049906200000000, 0.0222224300000000 ] - [ 0.0066984400000000, 0.0054290600000000, 0.0219096300000000 ] - [ 0.0068726100000000, 0.0057705600000000, 0.0219774700000000 ] - [ 0.0063890800000000, 0.0053307300000000, 0.0218407500000000 ] - [ -0.0092476600000000, 0.0075866200000000, -0.0272867700000000 ] - [ -0.0067729100000000, 0.0060010400000000, -0.0218447400000000 ] - [ -0.0064895300000000, 0.0060498900000000, -0.0217894800000000 ] - [ -0.0067181900000000, 0.0056050000000000, -0.0222890800000000 ] - [ 0.0151832500000000, 0.0101919900000000, -0.0012705800000000 ] - [ 0.0156622000000000, 0.0112741600000000, -0.0008133400000000 ] - [ 0.0155527000000000, 0.0103861600000000, -0.0008463600000000 ] - [ 0.0153444500000000, 0.0102786100000000, -0.0008775600000000 ] - [ -0.0360444700000000, 0.0499981500000000, 0.0250160200000000 ] - [ -0.0156452900000000, 0.0098044400000000, 0.0009899100000000 ] - [ -0.0154270400000000, 0.0102170400000000, 0.0009206900000000 ] - [ -0.0153816900000000, 0.0099966900000000, 0.0004295900000000 ] - [ 0.0127093200000000, -0.0037952100000000, 0.0090125800000000 ] - [ 0.0124440100000000, -0.0036623200000000, 0.0090552100000000 ] - [ 0.0126268700000000, -0.0048599000000000, 0.0083882600000000 ] - [ 0.0129203200000000, -0.0045197400000000, 0.0089525800000000 ] - [ -0.0100516200000000, -0.0036573400000000, -0.0037197500000000 ] - [ -0.0099991500000000, -0.0073623000000000, -0.0106384800000000 ] - [ -0.0135562800000000, -0.0016480300000000, -0.0058501500000000 ] - [ -0.0120730600000000, -0.0024040400000000, -0.0084349000000000 ] - [ -0.0132274000000000, 0.0034630000000000, -0.0098911500000000 ] - [ -0.0132319300000000, 0.0051544700000000, -0.0106564900000000 ] - [ -0.0128541900000000, 0.0037821300000000, -0.0081718900000000 ] - [ -0.0125028100000000, 0.0035699800000000, -0.0088309300000000 ] - [ 0.0126066100000000, 0.0005697800000000, 0.0118124400000000 ] - [ 0.0124091500000000, 0.0035195000000000, 0.0106178100000000 ] - [ 0.0125546600000000, 0.0036879600000000, 0.0086849800000000 ] - [ 0.0124534300000000, 0.0034193100000000, 0.0088118600000000 ] - [ 0.0000250700000000, -0.0009639800000000, 0.0000654200000000 ] - [ -0.0000659100000000, -0.0010395200000000, -0.0000923700000000 ] - [ 0.0000144900000000, -0.0002609200000000, -0.0000693700000000 ] - [ 0.0000702500000000, -0.0006190800000000, -0.0000253900000000 ] - [ 0.0000352000000000, 0.0000339400000000, 0.0004360200000000 ] - [ 0.0000677100000000, 0.0006982900000000, -0.0002710400000000 ] - [ 0.0007428600000000, 0.0004925400000000, -0.0002269500000000 ] - [ 0.0034636200000000, 0.0314727700000000, 0.0073133000000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014881200000000, 0.0096852000000000, -0.0184972300000000 ] - [ 0.0009416700000000, 0.0095568700000000, -0.0184716200000000 ] - [ 0.0014024600000000, 0.0087205800000000, -0.0198861800000000 ] - [ 0.0013392100000000, 0.0102607300000000, -0.0182642800000000 ] - [ -0.0048191800000000, 0.0064789400000000, 0.0127655000000000 ] - [ -0.0000001000000000, 0.0096866400000000, 0.0183470100000000 ] - [ -0.0006682800000000, 0.0094860300000000, 0.0189469500000000 ] - [ -0.0010306300000000, 0.0099319100000000, 0.0180730700000000 ] - [ -0.0220684800000000, -0.0447028500000000, 0.0350494200000000 ] - [ 0.0007812000000000, -0.0096704300000000, 0.0193610200000000 ] - [ -0.0011730800000000, -0.0096557100000000, 0.0183973900000000 ] - [ -0.0007452300000000, -0.0104025800000000, 0.0183846400000000 ] - [ 0.0012905100000000, -0.0101294700000000, -0.0181136500000000 ] - [ 0.0010279800000000, -0.0100742300000000, -0.0181549600000000 ] - [ 0.0010171200000000, -0.0098134600000000, -0.0184358000000000 ] - [ 0.0005521600000000, -0.0097562700000000, -0.0186408000000000 ] - [ 0.0152412200000000, -0.0100679800000000, -0.0007662800000000 ] - [ 0.0150602400000000, -0.0105857400000000, -0.0005059900000000 ] - [ 0.0152127400000000, -0.0103587500000000, -0.0010834200000000 ] - [ 0.0153566300000000, -0.0099394200000000, -0.0007230500000000 ] - [ -0.0156876100000000, -0.0105131800000000, 0.0006713200000000 ] - [ -0.0148468000000000, -0.0105296200000000, 0.0014514200000000 ] - [ -0.0133298300000000, -0.0140698500000000, 0.0065677300000000 ] - [ -0.0161110700000000, -0.0105115100000000, 0.0004163500000000 ] - [ -0.0006586300000000, 0.0150118600000000, 0.0049714900000000 ] - [ -0.0001390000000000, 0.0143218800000000, 0.0062799100000000 ] - [ 0.0008011900000000, 0.0166762600000000, 0.0020686300000000 ] - [ -0.0011401200000000, 0.0140088600000000, 0.0058989100000000 ] - [ 0.0006929100000000, 0.0141985800000000, -0.0057268400000000 ] - [ 0.0006504100000000, 0.0140935900000000, -0.0060038400000000 ] - [ 0.0007197800000000, 0.0141930500000000, -0.0058132000000000 ] - [ 0.0004362800000000, 0.0139997700000000, -0.0059329300000000 ] - [ 0.0054340500000000, -0.0180718100000000, -0.0032178800000000 ] - [ -0.0041640500000000, -0.0189690600000000, -0.0035633300000000 ] - [ 0.0004954100000000, -0.0143534300000000, -0.0057462600000000 ] - [ 0.0007514700000000, -0.0142920200000000, -0.0057789600000000 ] - [ -0.0008467800000000, -0.0151954700000000, 0.0054573900000000 ] - [ -0.0004912400000000, -0.0138019400000000, 0.0055165900000000 ] - [ -0.0006332100000000, -0.0143843800000000, 0.0058550000000000 ] - [ -0.0006418100000000, -0.0143422000000000, 0.0058140000000000 ] - [ 0.0013387000000000, -0.0085915900000000, 0.0016231100000000 ] - [ -0.0013963200000000, 0.0020065600000000, 0.0000104900000000 ] - [ -0.0005013600000000, 0.0023849900000000, 0.0005378200000000 ] - [ -0.0004224700000000, 0.0023323300000000, 0.0006728200000000 ] - [ 0.0004975500000000, 0.0019664300000000, -0.0005676700000000 ] - [ 0.0008123200000000, 0.0008519500000000, -0.0007904800000000 ] - [ 0.0004008800000000, 0.0021524300000000, -0.0007836800000000 ] - [ 0.0005883300000000, 0.0021005900000000, -0.0005017000000000 ] - [ -0.0000605300000000, -0.0025989500000000, -0.0000116300000000 ] - [ 0.0001892100000000, -0.0019712200000000, -0.0009435000000000 ] - [ 0.0010985500000000, 0.0050549200000000, -0.0014313400000000 ] - [ 0.0008270900000000, 0.0012344700000000, -0.0004517300000000 ] - [ -0.0005609300000000, -0.0024959500000000, 0.0008133600000000 ] - [ -0.0002938100000000, -0.0022864600000000, 0.0007907200000000 ] - [ -0.0002920300000000, -0.0024988200000000, 0.0005883600000000 ] - [ -0.0003353200000000, -0.0023509700000000, 0.0005868100000000 ] - [ -0.0122394100000000, 0.1584424400000000, -0.0098896300000000 ] - [ -0.0081216100000000, 0.0126821800000000, -0.0206626400000000 ] - [ -0.0079533600000000, 0.0123647200000000, -0.0204193600000000 ] - [ -0.0080123900000000, 0.0126456500000000, -0.0202834200000000 ] - [ 0.0077481800000000, 0.0123975400000000, 0.0201500300000000 ] - [ 0.0077637200000000, 0.0121870200000000, 0.0204681800000000 ] - [ 0.0077267600000000, 0.0123406600000000, 0.0203594000000000 ] - [ 0.0079286200000000, 0.0123053300000000, 0.0203538900000000 ] - [ 0.0064954700000000, -0.0128867400000000, 0.0202637500000000 ] - [ 0.0080809200000000, -0.0122721400000000, 0.0205047000000000 ] - [ 0.0081365300000000, -0.0121655800000000, 0.0200293400000000 ] - [ 0.0031375200000000, -0.0190748900000000, 0.0137571900000000 ] - [ -0.0077259300000000, -0.0132801300000000, -0.0204060200000000 ] - [ -0.0080155800000000, -0.0127682700000000, -0.0209097400000000 ] - [ -0.0076544900000000, -0.0132868800000000, -0.0199634600000000 ] - [ -0.0075887100000000, -0.0127595300000000, -0.0201527100000000 ] - [ -0.0066258900000000, -0.0057033600000000, -0.0220428100000000 ] - [ -0.0068099800000000, -0.0054630000000000, -0.0222296700000000 ] - [ -0.0065635100000000, -0.0053258300000000, -0.0220754400000000 ] - [ -0.0068591900000000, -0.0052345800000000, -0.0221426400000000 ] - [ 0.0159680600000000, -0.0215722700000000, 0.0348741400000000 ] - [ 0.0075892800000000, -0.0020952000000000, 0.0229471100000000 ] - [ 0.0065410900000000, -0.0048375200000000, 0.0228174200000000 ] - [ 0.0068746900000000, -0.0052086600000000, 0.0220663000000000 ] - [ 0.0064470000000000, 0.0055790100000000, 0.0221927200000000 ] - [ 0.0067739900000000, 0.0051497600000000, 0.0225047300000000 ] - [ 0.0065944800000000, 0.0048223900000000, 0.0224303200000000 ] - [ 0.0071026600000000, 0.0052336500000000, 0.0225748800000000 ] - [ -0.0042830500000000, 0.0030053800000000, -0.0171788800000000 ] - [ -0.0066979200000000, 0.0045880700000000, -0.0225585000000000 ] - [ -0.0069899800000000, 0.0045307000000000, -0.0226259400000000 ] - [ -0.0067538300000000, 0.0049780500000000, -0.0221218600000000 ] - [ 0.0154438300000000, 0.0103359500000000, -0.0004888200000000 ] - [ 0.0149756800000000, 0.0092716600000000, -0.0009356800000000 ] - [ 0.0150923800000000, 0.0101520300000000, -0.0009013700000000 ] - [ 0.0152875200000000, 0.0102590200000000, -0.0008685800000000 ] - [ 0.0062164100000000, -0.0304239200000000, -0.0243489200000000 ] - [ -0.0149688700000000, 0.0107223300000000, 0.0007847600000000 ] - [ -0.0152054600000000, 0.0103179800000000, 0.0008225900000000 ] - [ -0.0152523200000000, 0.0105393700000000, 0.0013159000000000 ] - [ 0.0125641500000000, -0.0033550700000000, 0.0087531300000000 ] - [ 0.0128239700000000, -0.0034824500000000, 0.0087126200000000 ] - [ 0.0126390000000000, -0.0023109700000000, 0.0093639400000000 ] - [ 0.0123596100000000, -0.0026374600000000, 0.0088045500000000 ] - [ -0.0151646300000000, -0.0034704800000000, -0.0140119300000000 ] - [ -0.0152432000000000, 0.0002234200000000, -0.0071770500000000 ] - [ -0.0117032200000000, -0.0054840100000000, -0.0119177100000000 ] - [ -0.0131965300000000, -0.0047447800000000, -0.0093406500000000 ] - [ -0.0121242300000000, 0.0036067900000000, -0.0077815000000000 ] - [ -0.0120978700000000, 0.0020517300000000, -0.0070719200000000 ] - [ -0.0124177000000000, 0.0033732000000000, -0.0095923900000000 ] - [ -0.0127684600000000, 0.0035791900000000, -0.0089336600000000 ] - [ 0.0126787100000000, 0.0065750100000000, 0.0059860800000000 ] - [ 0.0128360600000000, 0.0036415400000000, 0.0071769900000000 ] - [ 0.0127151200000000, 0.0034575600000000, 0.0090756400000000 ] - [ 0.0128198600000000, 0.0037303300000000, 0.0089458000000000 ] - [ -0.0000307700000000, 0.0009552700000000, -0.0000652900000000 ] - [ 0.0000757700000000, 0.0010313300000000, 0.0001013900000000 ] - [ -0.0000161400000000, 0.0002644900000000, 0.0000700400000000 ] - [ -0.0000733600000000, 0.0006127200000000, 0.0000305300000000 ] - [ -0.0000400600000000, -0.0000367500000000, -0.0004331100000000 ] - [ -0.0000622500000000, -0.0007042200000000, 0.0002755400000000 ] - [ -0.0007346500000000, -0.0004964800000000, 0.0002509600000000 ] - [ -0.0028299700000000, -0.0302823900000000, -0.0063423100000000 ]- atom: 57 displacement: [ -0.0019892822674104, 0.0000000000000000, 0.0098001406143262 ] forces: - [ 0.0010581100000000, 0.0097336800000000, -0.0185222900000000 ] - [ 0.0008730300000000, 0.0097526100000000, -0.0184023800000000 ] - [ 0.0010258700000000, 0.0102606800000000, -0.0181266800000000 ] - [ 0.0013073200000000, 0.0102229200000000, -0.0180773400000000 ] - [ 0.0015929800000000, 0.0127622800000000, 0.0234350700000000 ] - [ -0.0012474600000000, 0.0096405600000000, 0.0187657400000000 ] - [ -0.0011050300000000, 0.0100654300000000, 0.0183040600000000 ] - [ -0.0008233400000000, 0.0095403700000000, 0.0184575800000000 ] - [ -0.0154080800000000, -0.0252087800000000, 0.0435563800000000 ] - [ -0.0016597900000000, -0.0105039200000000, 0.0167703200000000 ] - [ -0.0010496700000000, -0.0098594000000000, 0.0184196500000000 ] - [ -0.0010127500000000, -0.0097614000000000, 0.0184573200000000 ] - [ 0.0008243400000000, -0.0097375100000000, -0.0185298900000000 ] - [ 0.0007653200000000, -0.0100129800000000, -0.0187029100000000 ] - [ 0.0008872300000000, -0.0096763700000000, -0.0183886100000000 ] - [ 0.0013049300000000, -0.0096329200000000, -0.0183014000000000 ] - [ 0.0151687700000000, -0.0108051900000000, -0.0003199900000000 ] - [ 0.0153646000000000, -0.0100434200000000, -0.0009308000000000 ] - [ 0.0153274100000000, -0.0101646600000000, -0.0007768100000000 ] - [ 0.0151497200000000, -0.0103354900000000, -0.0012007800000000 ] - [ -0.0154469300000000, -0.0103922800000000, 0.0008784700000000 ] - [ -0.0154663700000000, -0.0100900000000000, 0.0006234800000000 ] - [ -0.0141613600000000, -0.0160310200000000, 0.0050815600000000 ] - [ -0.0158221800000000, -0.0101192100000000, 0.0015926300000000 ] - [ -0.0006482000000000, 0.0145298900000000, 0.0060421600000000 ] - [ -0.0001745200000000, 0.0142676100000000, 0.0067661100000000 ] - [ -0.0004627400000000, 0.0156535000000000, 0.0143441600000000 ] - [ -0.0005884400000000, 0.0144909900000000, 0.0057002000000000 ] - [ 0.0006807500000000, 0.0143220400000000, -0.0057792500000000 ] - [ 0.0006652100000000, 0.0143761500000000, -0.0057738000000000 ] - [ 0.0005911900000000, 0.0143844400000000, -0.0056281800000000 ] - [ 0.0013529300000000, 0.0144165500000000, -0.0059269000000000 ] - [ -0.0004802600000000, -0.0151889300000000, -0.0137965200000000 ] - [ -0.0011156900000000, -0.0168894300000000, -0.0072081600000000 ] - [ 0.0006593200000000, -0.0140216400000000, -0.0058194700000000 ] - [ 0.0006722500000000, -0.0143047800000000, -0.0055819300000000 ] - [ -0.0003731400000000, -0.0131455400000000, 0.0059652200000000 ] - [ 0.0001428700000000, -0.0142559100000000, 0.0054859700000000 ] - [ -0.0006795400000000, -0.0142859700000000, 0.0059322300000000 ] - [ -0.0006778200000000, -0.0142722100000000, 0.0057963200000000 ] - [ -0.0010009900000000, 0.0047984200000000, -0.0017798700000000 ] - [ -0.0006430400000000, 0.0022681300000000, 0.0005178400000000 ] - [ -0.0003330500000000, 0.0023409100000000, 0.0009313300000000 ] - [ -0.0004027900000000, 0.0022716200000000, 0.0008631400000000 ] - [ 0.0003346900000000, 0.0015414600000000, -0.0019568100000000 ] - [ -0.0006089000000000, 0.0035599000000000, -0.0004676800000000 ] - [ 0.0003596100000000, 0.0023096600000000, -0.0006130700000000 ] - [ 0.0004406100000000, 0.0022605600000000, -0.0007160900000000 ] - [ 0.0004012500000000, -0.0021225000000000, 0.0001573600000000 ] - [ 0.0005114500000000, -0.0025450700000000, -0.0011236500000000 ] - [ -0.0056335100000000, -0.0034088600000000, 0.0045978300000000 ] - [ 0.0043146600000000, -0.0030830500000000, 0.0024642800000000 ] - [ -0.0004330800000000, -0.0022557900000000, 0.0007852300000000 ] - [ -0.0005889600000000, -0.0022461500000000, 0.0007986200000000 ] - [ -0.0004845400000000, -0.0023196200000000, 0.0007304200000000 ] - [ -0.0007363500000000, -0.0024215800000000, 0.0008960300000000 ] - [ 0.0130487100000000, 0.0015449200000000, -0.1697436400000000 ] - [ -0.0076100300000000, 0.0126108700000000, -0.0207187100000000 ] - [ -0.0076140100000000, 0.0124028500000000, -0.0202590700000000 ] - [ -0.0077751800000000, 0.0122622300000000, -0.0202764900000000 ] - [ 0.0079075700000000, 0.0121848300000000, 0.0204746600000000 ] - [ 0.0080144500000000, 0.0124992600000000, 0.0200041600000000 ] - [ 0.0078286500000000, 0.0123920800000000, 0.0203990800000000 ] - [ 0.0078616700000000, 0.0123498100000000, 0.0202368900000000 ] - [ 0.0073794900000000, -0.0125480900000000, 0.0205836200000000 ] - [ 0.0078057600000000, -0.0124629700000000, 0.0205047600000000 ] - [ 0.0074963400000000, -0.0119844900000000, 0.0201261600000000 ] - [ 0.0114380800000000, -0.0068293400000000, 0.0237880900000000 ] - [ -0.0077260000000000, -0.0120382700000000, -0.0199999300000000 ] - [ -0.0076294500000000, -0.0122161800000000, -0.0203283400000000 ] - [ -0.0070553000000000, -0.0124512600000000, -0.0198458000000000 ] - [ -0.0077416700000000, -0.0128802500000000, -0.0203487500000000 ] - [ -0.0067385100000000, -0.0053239800000000, -0.0224070900000000 ] - [ -0.0069262100000000, -0.0053587200000000, -0.0214076600000000 ] - [ -0.0068401700000000, -0.0052274400000000, -0.0222140100000000 ] - [ -0.0066834000000000, -0.0053086300000000, -0.0221424700000000 ] - [ 0.0250665200000000, -0.0141854000000000, 0.0606811300000000 ] - [ 0.0056224100000000, -0.0054597700000000, 0.0233567700000000 ] - [ 0.0068900700000000, -0.0058193900000000, 0.0218575700000000 ] - [ 0.0069204400000000, -0.0051318600000000, 0.0226969300000000 ] - [ 0.0069804300000000, 0.0052985100000000, 0.0222588100000000 ] - [ 0.0065634000000000, 0.0052694500000000, 0.0221656200000000 ] - [ 0.0070070200000000, 0.0045785300000000, 0.0222746900000000 ] - [ 0.0060859700000000, 0.0058858600000000, 0.0225247700000000 ] - [ -0.0067209100000000, 0.0007358400000000, -0.0179720500000000 ] - [ -0.0060218800000000, 0.0057611900000000, -0.0216396100000000 ] - [ -0.0070532300000000, 0.0063569000000000, -0.0217165100000000 ] - [ -0.0068985300000000, 0.0051315400000000, -0.0224533000000000 ] - [ 0.0153531400000000, 0.0100339800000000, -0.0010646200000000 ] - [ 0.0151353600000000, 0.0102835400000000, -0.0006609200000000 ] - [ 0.0152794700000000, 0.0103499000000000, -0.0008411800000000 ] - [ 0.0152922800000000, 0.0102739200000000, -0.0007172700000000 ] - [ -0.0395004100000000, 0.0388780800000000, 0.0326782400000000 ] - [ -0.0155796600000000, 0.0107967500000000, 0.0001009200000000 ] - [ -0.0155063400000000, 0.0101204800000000, 0.0010977300000000 ] - [ -0.0152695400000000, 0.0101066400000000, 0.0009877100000000 ] - [ 0.0124658300000000, -0.0036629300000000, 0.0087095700000000 ] - [ 0.0126545100000000, -0.0036254600000000, 0.0086511400000000 ] - [ 0.0125717200000000, -0.0036543300000000, 0.0092411600000000 ] - [ 0.0129081000000000, -0.0039414100000000, 0.0088309400000000 ] - [ -0.0115752300000000, -0.0037530200000000, -0.0080741800000000 ] - [ -0.0149354600000000, -0.0019871400000000, -0.0072145800000000 ] - [ -0.0129195800000000, -0.0021429900000000, -0.0086454400000000 ] - [ -0.0130303200000000, -0.0017671000000000, -0.0101559500000000 ] - [ -0.0125555500000000, 0.0033969200000000, -0.0130741700000000 ] - [ -0.0100103500000000, -0.0011281900000000, -0.0090875900000000 ] - [ -0.0128249100000000, 0.0034446700000000, -0.0090113500000000 ] - [ -0.0125669400000000, 0.0037107500000000, -0.0090591600000000 ] - [ 0.0129583900000000, 0.0039703300000000, 0.0093179600000000 ] - [ 0.0121453800000000, 0.0056722000000000, 0.0110430400000000 ] - [ 0.0127387900000000, 0.0032341900000000, 0.0084311300000000 ] - [ 0.0124280500000000, 0.0031998400000000, 0.0085596100000000 ] - [ -0.0005645600000000, -0.0001582300000000, 0.0008114300000000 ] - [ 0.0001553200000000, -0.0007740500000000, -0.0002746300000000 ] - [ 0.0002336500000000, 0.0001344400000000, 0.0000912800000000 ] - [ -0.0003661400000000, -0.0000071500000000, 0.0000294300000000 ] - [ -0.0001233500000000, 0.0001200200000000, -0.0009597900000000 ] - [ -0.0001370700000000, -0.0001084500000000, -0.0005798300000000 ] - [ 0.0006732200000000, -0.0004701900000000, 0.0009063100000000 ] - [ -0.0009182300000000, 0.0067865800000000, 0.0288073300000000 ]- atom: 57 displacement: [ 0.0019892822674104, 0.0000000000000000, -0.0098001406143262 ] forces: - [ 0.0008163500000000, 0.0097745400000000, -0.0183209900000000 ] - [ 0.0010154700000000, 0.0097534300000000, -0.0184353900000000 ] - [ 0.0008718400000000, 0.0092462400000000, -0.0187183100000000 ] - [ 0.0005871400000000, 0.0092858700000000, -0.0187586200000000 ] - [ -0.0034477800000000, 0.0066664400000000, 0.0133455800000000 ] - [ -0.0006465600000000, 0.0098651500000000, 0.0180794300000000 ] - [ -0.0007925300000000, 0.0094429800000000, 0.0185384800000000 ] - [ -0.0010641400000000, 0.0099655500000000, 0.0183785900000000 ] - [ 0.0129426300000000, 0.0050711700000000, -0.0063341000000000 ] - [ -0.0002299000000000, -0.0089996100000000, 0.0200621100000000 ] - [ -0.0008475700000000, -0.0096541300000000, 0.0184202100000000 ] - [ -0.0008738800000000, -0.0097418700000000, 0.0183856700000000 ] - [ 0.0010661300000000, -0.0097683400000000, -0.0183131800000000 ] - [ 0.0011232700000000, -0.0094940600000000, -0.0181339700000000 ] - [ 0.0010008000000000, -0.0098300800000000, -0.0184494400000000 ] - [ 0.0005812900000000, -0.0098675000000000, -0.0185446200000000 ] - [ 0.0154684000000000, -0.0097316700000000, -0.0014280900000000 ] - [ 0.0152664300000000, -0.0104906500000000, -0.0008183200000000 ] - [ 0.0153103000000000, -0.0103680000000000, -0.0009745300000000 ] - [ 0.0154827600000000, -0.0101928500000000, -0.0005515200000000 ] - [ -0.0151895100000000, -0.0101465800000000, 0.0008696400000000 ] - [ -0.0151589600000000, -0.0104504300000000, 0.0011267600000000 ] - [ -0.0164185400000000, -0.0045664300000000, -0.0033070900000000 ] - [ -0.0148240200000000, -0.0104136500000000, 0.0001597800000000 ] - [ -0.0007122600000000, 0.0140834900000000, 0.0055707100000000 ] - [ -0.0011766500000000, 0.0143345700000000, 0.0048674100000000 ] - [ -0.0008885800000000, 0.0129566600000000, -0.0025925400000000 ] - [ -0.0007594900000000, 0.0140996400000000, 0.0059293400000000 ] - [ 0.0006778400000000, 0.0142766200000000, -0.0058517900000000 ] - [ 0.0006848500000000, 0.0142217600000000, -0.0058523500000000 ] - [ 0.0007628000000000, 0.0142155900000000, -0.0059961200000000 ] - [ -0.0000025400000000, 0.0141767000000000, -0.0056987300000000 ] - [ 0.0018563700000000, -0.0134374400000000, 0.0022050500000000 ] - [ 0.0024748000000000, -0.0117197000000000, -0.0044306900000000 ] - [ 0.0006995800000000, -0.0145754800000000, -0.0058045200000000 ] - [ 0.0006822000000000, -0.0142948500000000, -0.0060384500000000 ] - [ -0.0009794100000000, -0.0154408100000000, 0.0056553800000000 ] - [ -0.0015065800000000, -0.0143584700000000, 0.0061350900000000 ] - [ -0.0006749700000000, -0.0143182600000000, 0.0056945600000000 ] - [ -0.0006719500000000, -0.0143235300000000, 0.0058337000000000 ] - [ 0.0000937400000000, -0.0002324500000000, 0.0032735500000000 ] - [ -0.0002798800000000, 0.0023113800000000, 0.0009834600000000 ] - [ -0.0005884900000000, 0.0022369600000000, 0.0005920800000000 ] - [ -0.0005220300000000, 0.0022992800000000, 0.0006594400000000 ] - [ 0.0006085300000000, 0.0030279000000000, 0.0004195900000000 ] - [ 0.0015119600000000, 0.0010325400000000, -0.0010512900000000 ] - [ 0.0005605600000000, 0.0022708100000000, -0.0008994400000000 ] - [ 0.0004823500000000, 0.0023078500000000, -0.0007957600000000 ] - [ 0.0005200800000000, -0.0024453300000000, -0.0016564700000000 ] - [ 0.0004221900000000, -0.0020278500000000, -0.0004006400000000 ] - [ 0.0064534100000000, -0.0011940300000000, -0.0060315300000000 ] - [ -0.0033344300000000, -0.0014921800000000, -0.0039608600000000 ] - [ -0.0004867700000000, -0.0023159200000000, 0.0007323300000000 ] - [ -0.0003369900000000, -0.0023303600000000, 0.0007180800000000 ] - [ -0.0004293500000000, -0.0022530900000000, 0.0007813600000000 ] - [ -0.0001895200000000, -0.0021563000000000, 0.0006231300000000 ] - [ -0.0283791400000000, 0.0240764700000000, 0.1292936200000000 ] - [ -0.0080626900000000, 0.0121222400000000, -0.0199917500000000 ] - [ -0.0080551700000000, 0.0123266700000000, -0.0204515800000000 ] - [ -0.0078942600000000, 0.0124687800000000, -0.0204315300000000 ] - [ 0.0077693800000000, 0.0125408300000000, 0.0202344300000000 ] - [ 0.0076572400000000, 0.0122363500000000, 0.0206988800000000 ] - [ 0.0078443600000000, 0.0123394600000000, 0.0203123800000000 ] - [ 0.0078057200000000, 0.0123854500000000, 0.0204722800000000 ] - [ 0.0083215200000000, -0.0121725600000000, 0.0201203800000000 ] - [ 0.0078653900000000, -0.0122679500000000, 0.0202087400000000 ] - [ 0.0081758200000000, -0.0127426500000000, 0.0205802500000000 ] - [ 0.0042254100000000, -0.0179094200000000, 0.0169089300000000 ] - [ -0.0079872600000000, -0.0127046200000000, -0.0207225400000000 ] - [ -0.0080394200000000, -0.0125149200000000, -0.0203899000000000 ] - [ -0.0086257400000000, -0.0123050900000000, -0.0208322100000000 ] - [ -0.0079263100000000, -0.0118499700000000, -0.0203619300000000 ] - [ -0.0067351200000000, -0.0052588500000000, -0.0220087300000000 ] - [ -0.0065501600000000, -0.0052190000000000, -0.0230027800000000 ] - [ -0.0066475400000000, -0.0053494400000000, -0.0222041300000000 ] - [ -0.0067935100000000, -0.0052664700000000, -0.0222700800000000 ] - [ -0.0123287700000000, 0.0039374800000000, -0.0169408100000000 ] - [ 0.0078743900000000, -0.0051088300000000, 0.0210638400000000 ] - [ 0.0065863500000000, -0.0047772700000000, 0.0225462500000000 ] - [ 0.0065625700000000, -0.0054422900000000, 0.0217265000000000 ] - [ 0.0065193400000000, 0.0052716500000000, 0.0221533300000000 ] - [ 0.0069127300000000, 0.0053015300000000, 0.0222578500000000 ] - [ 0.0064788800000000, 0.0059908700000000, 0.0221371200000000 ] - [ 0.0073743800000000, 0.0047032600000000, 0.0218782100000000 ] - [ -0.0068217400000000, 0.0098738500000000, -0.0265006100000000 ] - [ -0.0074559100000000, 0.0048117900000000, -0.0227796300000000 ] - [ -0.0064358000000000, 0.0042494900000000, -0.0226971300000000 ] - [ -0.0065769600000000, 0.0054381900000000, -0.0219665400000000 ] - [ 0.0152825000000000, 0.0104999600000000, -0.0006807700000000 ] - [ 0.0154910600000000, 0.0102481000000000, -0.0010808000000000 ] - [ 0.0153666700000000, 0.0101928000000000, -0.0009022600000000 ] - [ 0.0153396900000000, 0.0102645600000000, -0.0010252700000000 ] - [ 0.0094448100000000, -0.0194002000000000, -0.0314509600000000 ] - [ -0.0150542600000000, 0.0097571800000000, 0.0016245500000000 ] - [ -0.0151337700000000, 0.0104178000000000, 0.0006497400000000 ] - [ -0.0153627100000000, 0.0104286200000000, 0.0007664800000000 ] - [ 0.0128087200000000, -0.0034863100000000, 0.0090545400000000 ] - [ 0.0126125200000000, -0.0035206300000000, 0.0091096200000000 ] - [ 0.0126940100000000, -0.0034863000000000, 0.0085293900000000 ] - [ 0.0123592300000000, -0.0032072500000000, 0.0089291900000000 ] - [ -0.0137724400000000, -0.0034277100000000, -0.0097648000000000 ] - [ -0.0103006800000000, -0.0051660300000000, -0.0106003300000000 ] - [ -0.0123603900000000, -0.0049863500000000, -0.0091037400000000 ] - [ -0.0122414100000000, -0.0053726700000000, -0.0076054400000000 ] - [ -0.0126850600000000, 0.0037884400000000, -0.0047018800000000 ] - [ -0.0152351300000000, 0.0082312200000000, -0.0086506700000000 ] - [ -0.0124441200000000, 0.0037055800000000, -0.0087530100000000 ] - [ -0.0127055900000000, 0.0034382800000000, -0.0087091900000000 ] - [ 0.0123192400000000, 0.0031972000000000, 0.0084420600000000 ] - [ 0.0131339000000000, 0.0014828500000000, 0.0067232300000000 ] - [ 0.0125279200000000, 0.0039069400000000, 0.0093244500000000 ] - [ 0.0128389100000000, 0.0039428800000000, 0.0092051000000000 ] - [ 0.0005603300000000, 0.0001720000000000, -0.0007935700000000 ] - [ -0.0001469200000000, 0.0007652600000000, 0.0002760100000000 ] - [ -0.0002313000000000, -0.0001269000000000, -0.0000887900000000 ] - [ 0.0003646900000000, 0.0000149400000000, -0.0000393600000000 ] - [ 0.0001254600000000, -0.0001222900000000, 0.0009572500000000 ] - [ 0.0001388600000000, 0.0001074600000000, 0.0005735300000000 ] - [ -0.0006478800000000, 0.0004610600000000, -0.0009282200000000 ] - [ 0.0012643700000000, -0.0061966800000000, -0.0282183200000000 ]- atom: 73 displacement: [ 0.0099999991596329, 0.0000000000000000, 0.0000040996757033 ] forces: - [ 0.0009100200000000, 0.0098461200000000, -0.0182576500000000 ] - [ 0.0010613000000000, 0.0097705600000000, -0.0185092100000000 ] - [ -0.0017159300000000, 0.0114380500000000, -0.0189921200000000 ] - [ 0.0020708300000000, 0.0094540800000000, -0.0179581400000000 ] - [ 0.0023004300000000, 0.0094637400000000, 0.0185538900000000 ] - [ -0.0008898600000000, 0.0097856000000000, 0.0183593900000000 ] - [ 0.0029278700000000, 0.0093083400000000, 0.0190537600000000 ] - [ -0.0011910800000000, 0.0099122000000000, 0.0184140000000000 ] - [ -0.0009131300000000, -0.0100241500000000, 0.0187865400000000 ] - [ -0.0010717100000000, -0.0099464800000000, 0.0187040400000000 ] - [ -0.0008841500000000, -0.0098228400000000, 0.0183103800000000 ] - [ -0.0008824100000000, -0.0097343200000000, 0.0184563100000000 ] - [ -0.0074017600000000, -0.0082954300000000, -0.0199466400000000 ] - [ 0.0005078300000000, -0.0105394600000000, -0.0184985400000000 ] - [ 0.0012988000000000, -0.0095827600000000, -0.0185761300000000 ] - [ 0.0002661800000000, -0.0090779000000000, -0.0186448100000000 ] - [ 0.0190568400000000, -0.0116767400000000, -0.0023185700000000 ] - [ 0.0150967400000000, -0.0101484100000000, -0.0008961500000000 ] - [ 0.0156987100000000, -0.0100430500000000, -0.0010316900000000 ] - [ 0.0148718800000000, -0.0136771100000000, 0.0030062100000000 ] - [ -0.0152845100000000, -0.0102052800000000, 0.0008149200000000 ] - [ -0.0155897200000000, -0.0103021800000000, 0.0004451100000000 ] - [ -0.0156759300000000, -0.0109903500000000, 0.0011616200000000 ] - [ -0.0147578100000000, -0.0104826700000000, 0.0003645600000000 ] - [ -0.0006746200000000, 0.0142812900000000, 0.0059261400000000 ] - [ -0.0001876300000000, 0.0146234700000000, 0.0053864100000000 ] - [ -0.0007218900000000, 0.0141272000000000, 0.0058987800000000 ] - [ -0.0007323900000000, 0.0143701400000000, 0.0056730600000000 ] - [ 0.0008626300000000, 0.0139168300000000, -0.0053753900000000 ] - [ 0.0005486200000000, 0.0139325000000000, -0.0056077900000000 ] - [ 0.0070487800000000, 0.0129845100000000, -0.0134031000000000 ] - [ 0.0036575600000000, 0.0156600300000000, 0.0019363300000000 ] - [ 0.0005867100000000, -0.0141739200000000, -0.0056301400000000 ] - [ 0.0006115300000000, -0.0142519000000000, -0.0060233000000000 ] - [ 0.0006710100000000, -0.0143523700000000, -0.0055863100000000 ] - [ 0.0006191800000000, -0.0143234500000000, -0.0058040200000000 ] - [ 0.0277908200000000, 0.0087019200000000, -0.0111995200000000 ] - [ -0.0005585600000000, -0.0144157900000000, 0.0060771800000000 ] - [ -0.0008144500000000, -0.0142012800000000, 0.0056765200000000 ] - [ -0.0006335100000000, -0.0142355400000000, 0.0058996400000000 ] - [ -0.0002192500000000, 0.0021448900000000, 0.0004740200000000 ] - [ -0.0006261200000000, 0.0021713000000000, 0.0006975700000000 ] - [ -0.0003943200000000, 0.0024087500000000, 0.0007054700000000 ] - [ -0.0003929600000000, 0.0022566700000000, 0.0011686200000000 ] - [ -0.0052021200000000, -0.0038127800000000, 0.0039342200000000 ] - [ 0.0013242200000000, 0.0025046800000000, -0.0009642800000000 ] - [ 0.0007295000000000, 0.0029912300000000, -0.0005431000000000 ] - [ 0.0003815400000000, 0.0024233100000000, -0.0008936200000000 ] - [ 0.0006321100000000, -0.0021587600000000, -0.0009688200000000 ] - [ 0.0002383000000000, -0.0024133500000000, -0.0009168200000000 ] - [ 0.0004984600000000, -0.0024152200000000, -0.0007297700000000 ] - [ 0.0004786500000000, -0.0023842900000000, -0.0007085900000000 ] - [ -0.0008417900000000, -0.0029795200000000, 0.0010365600000000 ] - [ -0.0001596600000000, -0.0019732500000000, 0.0008129100000000 ] - [ -0.0039437200000000, -0.0012910500000000, -0.0011629000000000 ] - [ 0.0012403800000000, -0.0032473700000000, 0.0006636900000000 ] - [ -0.0079613200000000, 0.0122596200000000, -0.0203775500000000 ] - [ -0.0078118900000000, 0.0124414900000000, -0.0205365300000000 ] - [ -0.0069280000000000, 0.0121946400000000, -0.0202654300000000 ] - [ -0.0079540000000000, 0.0124942300000000, -0.0203175200000000 ] - [ 0.0437421600000000, 0.0214713600000000, 0.0463043600000000 ] - [ 0.0085541400000000, 0.0132182300000000, 0.0193261400000000 ] - [ 0.0080589000000000, 0.0121784300000000, 0.0205505600000000 ] - [ 0.0076887300000000, 0.0125123000000000, 0.0205047000000000 ] - [ 0.0060767900000000, -0.0120708200000000, 0.0202237800000000 ] - [ 0.0079188000000000, -0.0124121600000000, 0.0201890000000000 ] - [ 0.0078537200000000, -0.0122304800000000, 0.0206188900000000 ] - [ 0.0078761900000000, -0.0127276700000000, 0.0196994400000000 ] - [ -0.0074085600000000, -0.0126213000000000, -0.0205777000000000 ] - [ -0.0080265400000000, -0.0123893200000000, -0.0205524700000000 ] - [ -0.0172705800000000, -0.0098978900000000, -0.0222237500000000 ] - [ -0.0083796300000000, -0.0123347400000000, -0.0197326900000000 ] - [ -0.1434135800000000, -0.0001189900000000, -0.0342833800000000 ] - [ -0.0054433800000000, -0.0058435500000000, -0.0219462400000000 ] - [ -0.0067323700000000, -0.0054265500000000, -0.0220034200000000 ] - [ -0.0066680900000000, -0.0055349800000000, -0.0221436500000000 ] - [ 0.0071075600000000, -0.0050395000000000, 0.0222987400000000 ] - [ 0.0066405600000000, -0.0053218200000000, 0.0223012700000000 ] - [ 0.0067392900000000, -0.0053060800000000, 0.0221951300000000 ] - [ 0.0065361500000000, -0.0055720500000000, 0.0222454400000000 ] - [ 0.0067069600000000, 0.0053177600000000, 0.0221453700000000 ] - [ 0.0068858100000000, 0.0054901000000000, 0.0222334200000000 ] - [ 0.0403352300000000, -0.0143847000000000, 0.0158346000000000 ] - [ 0.0074557000000000, 0.0071766900000000, 0.0208512800000000 ] - [ -0.0066765900000000, 0.0053086400000000, -0.0224595000000000 ] - [ -0.0067613000000000, 0.0054270400000000, -0.0219016500000000 ] - [ -0.0066766000000000, 0.0052712300000000, -0.0221057800000000 ] - [ -0.0067619800000000, 0.0054928200000000, -0.0219925800000000 ] - [ 0.0197527200000000, 0.0156193700000000, 0.0012770500000000 ] - [ 0.0198080200000000, 0.0037300400000000, -0.0032870900000000 ] - [ 0.0154267200000000, 0.0103285800000000, -0.0006556800000000 ] - [ 0.0152424600000000, 0.0101171100000000, -0.0008195400000000 ] - [ -0.0148506900000000, 0.0104868800000000, 0.0008305700000000 ] - [ -0.0159455600000000, 0.0103419200000000, 0.0010302400000000 ] - [ -0.0170293000000000, 0.0110648500000000, 0.0011454500000000 ] - [ -0.0151759700000000, 0.0102820700000000, 0.0009409800000000 ] - [ 0.0131559800000000, -0.0032416100000000, 0.0086266700000000 ] - [ 0.0120207300000000, -0.0032365500000000, 0.0089631600000000 ] - [ 0.0433291100000000, -0.0175460100000000, 0.0200333400000000 ] - [ 0.0102180000000000, -0.0039326000000000, 0.0098163100000000 ] - [ -0.0130608500000000, -0.0053862800000000, -0.0073327500000000 ] - [ -0.0127257300000000, -0.0035903000000000, -0.0087184800000000 ] - [ -0.0135888600000000, -0.0034587600000000, -0.0090741800000000 ] - [ -0.0119448600000000, -0.0029957400000000, -0.0090002500000000 ] - [ -0.0121605900000000, 0.0030389700000000, -0.0103157200000000 ] - [ -0.0106691100000000, 0.0050664600000000, -0.0105304300000000 ] - [ -0.0127673500000000, 0.0033095900000000, -0.0088518500000000 ] - [ -0.0124473100000000, 0.0032774600000000, -0.0087495800000000 ] - [ 0.0136207600000000, 0.0033600700000000, 0.0100728700000000 ] - [ 0.0129191400000000, 0.0041728600000000, 0.0086980400000000 ] - [ 0.0128907900000000, 0.0029993000000000, 0.0091278000000000 ] - [ 0.0122168500000000, 0.0037340200000000, 0.0081822500000000 ] - [ 0.0009648700000000, 0.0012905400000000, 0.0009094100000000 ] - [ 0.0025629000000000, 0.0022324700000000, -0.0032554900000000 ] - [ -0.0004562100000000, 0.0009046600000000, 0.0002600000000000 ] - [ 0.0014868600000000, -0.0022716800000000, -0.0008492700000000 ] - [ 0.0004058800000000, -0.0010289700000000, -0.0003605700000000 ] - [ -0.0002019200000000, 0.0003665900000000, 0.0003238900000000 ] - [ 0.0000511200000000, 0.0004472400000000, 0.0001551300000000 ] - [ 0.0000226700000000, 0.0001970200000000, 0.0000547600000000 ]- atom: 73 displacement: [ -0.0099999991596329, 0.0000000000000000, -0.0000040996757033 ] forces: - [ 0.0009758300000000, 0.0096550000000000, -0.0185836400000000 ] - [ 0.0008279800000000, 0.0097343100000000, -0.0183298300000000 ] - [ 0.0035811100000000, 0.0080645200000000, -0.0178406000000000 ] - [ -0.0001655000000000, 0.0100494000000000, -0.0188737400000000 ] - [ -0.0041890500000000, 0.0100431000000000, 0.0182830200000000 ] - [ -0.0010020300000000, 0.0097255000000000, 0.0184784600000000 ] - [ -0.0048138700000000, 0.0102116200000000, 0.0178007400000000 ] - [ -0.0006993300000000, 0.0095964900000000, 0.0184235600000000 ] - [ -0.0009839100000000, -0.0094929300000000, 0.0180588700000000 ] - [ -0.0008129500000000, -0.0095505500000000, 0.0181366800000000 ] - [ -0.0010092000000000, -0.0096828300000000, 0.0185298700000000 ] - [ -0.0010068400000000, -0.0097715200000000, 0.0183856200000000 ] - [ 0.0093045700000000, -0.0112290900000000, -0.0169018900000000 ] - [ 0.0013863400000000, -0.0089709300000000, -0.0183347200000000 ] - [ 0.0005921800000000, -0.0099134000000000, -0.0182663400000000 ] - [ 0.0016163500000000, -0.0104322700000000, -0.0181958400000000 ] - [ 0.0115770700000000, -0.0088588600000000, 0.0005739600000000 ] - [ 0.0155399000000000, -0.0103847100000000, -0.0008489300000000 ] - [ 0.0149363400000000, -0.0104923500000000, -0.0007184600000000 ] - [ 0.0157425300000000, -0.0068215700000000, -0.0047810800000000 ] - [ -0.0153464600000000, -0.0103334900000000, 0.0009339300000000 ] - [ -0.0150456400000000, -0.0102323900000000, 0.0013037600000000 ] - [ -0.0149683700000000, -0.0095546300000000, 0.0005836000000000 ] - [ -0.0158688100000000, -0.0100433700000000, 0.0013734200000000 ] - [ -0.0006757400000000, 0.0143189500000000, 0.0056965500000000 ] - [ -0.0011641400000000, 0.0139793500000000, 0.0062369200000000 ] - [ -0.0006335500000000, 0.0144720100000000, 0.0057269700000000 ] - [ -0.0006155500000000, 0.0142237800000000, 0.0059528100000000 ] - [ 0.0004880500000000, 0.0146773900000000, -0.0062334200000000 ] - [ 0.0008114300000000, 0.0146705600000000, -0.0060272600000000 ] - [ -0.0057419000000000, 0.0156701600000000, 0.0018251700000000 ] - [ -0.0023181600000000, 0.0129759300000000, -0.0134938200000000 ] - [ 0.0007615200000000, -0.0144203500000000, -0.0059952600000000 ] - [ 0.0007427500000000, -0.0143520800000000, -0.0056035500000000 ] - [ 0.0006807400000000, -0.0142512000000000, -0.0060358700000000 ] - [ 0.0007314700000000, -0.0142775500000000, -0.0058168600000000 ] - [ -0.0289387100000000, -0.0367211900000000, 0.0223934000000000 ] - [ -0.0007874200000000, -0.0141799400000000, 0.0055497200000000 ] - [ -0.0005371000000000, -0.0143971900000000, 0.0059464100000000 ] - [ -0.0007229200000000, -0.0143636900000000, 0.0057282300000000 ] - [ -0.0007069400000000, 0.0024226300000000, 0.0010475600000000 ] - [ -0.0002834600000000, 0.0024123900000000, 0.0008132900000000 ] - [ -0.0005227400000000, 0.0021633000000000, 0.0008177700000000 ] - [ -0.0005291900000000, 0.0023139100000000, 0.0003541300000000 ] - [ 0.0060647600000000, 0.0083937600000000, -0.0054644400000000 ] - [ -0.0004221100000000, 0.0020603400000000, -0.0005436300000000 ] - [ 0.0001942000000000, 0.0015851300000000, -0.0009800500000000 ] - [ 0.0005401000000000, 0.0021516600000000, -0.0006210700000000 ] - [ 0.0002841200000000, -0.0024129100000000, -0.0005481600000000 ] - [ 0.0006798500000000, -0.0021575500000000, -0.0006028900000000 ] - [ 0.0004164800000000, -0.0021621200000000, -0.0007854200000000 ] - [ 0.0004423100000000, -0.0021887300000000, -0.0008114300000000 ] - [ -0.0000917300000000, -0.0015965000000000, 0.0004905100000000 ] - [ -0.0007607200000000, -0.0025946400000000, 0.0007046500000000 ] - [ 0.0030157000000000, -0.0032832400000000, 0.0026596900000000 ] - [ -0.0021226300000000, -0.0013407200000000, 0.0008528800000000 ] - [ -0.0077125400000000, 0.0124734100000000, -0.0203328100000000 ] - [ -0.0078598200000000, 0.0122896000000000, -0.0201701100000000 ] - [ -0.0087349600000000, 0.0125423200000000, -0.0204397100000000 ] - [ -0.0077153300000000, 0.0122411400000000, -0.0203901600000000 ] - [ -0.0286736500000000, 0.0028985200000000, -0.0065813100000000 ] - [ 0.0071619700000000, 0.0115000600000000, 0.0213459700000000 ] - [ 0.0076092600000000, 0.0125551700000000, 0.0201571700000000 ] - [ 0.0079793200000000, 0.0122237000000000, 0.0202060100000000 ] - [ 0.0095891300000000, -0.0126697100000000, 0.0204764400000000 ] - [ 0.0077492100000000, -0.0123248900000000, 0.0205170700000000 ] - [ 0.0078182000000000, -0.0124999400000000, 0.0200808000000000 ] - [ 0.0077876300000000, -0.0120049100000000, 0.0210042000000000 ] - [ -0.0082646500000000, -0.0121115700000000, -0.0201267500000000 ] - [ -0.0076351400000000, -0.0123447900000000, -0.0201514700000000 ] - [ 0.0016078100000000, -0.0148576800000000, -0.0185006100000000 ] - [ -0.0072864700000000, -0.0124007400000000, -0.0209775500000000 ] - [ 0.1309080200000000, -0.0111303100000000, -0.0093779700000000 ] - [ -0.0080209500000000, -0.0047370700000000, -0.0224676100000000 ] - [ -0.0067449900000000, -0.0051512000000000, -0.0224158500000000 ] - [ -0.0068079400000000, -0.0050403000000000, -0.0222734200000000 ] - [ 0.0063666000000000, -0.0055399700000000, 0.0221180400000000 ] - [ 0.0068370000000000, -0.0052556400000000, 0.0221154000000000 ] - [ 0.0067336400000000, -0.0052769800000000, 0.0222127100000000 ] - [ 0.0069398600000000, -0.0050088300000000, 0.0221673700000000 ] - [ 0.0067690100000000, 0.0052616700000000, 0.0222712500000000 ] - [ 0.0065870900000000, 0.0050863900000000, 0.0221846100000000 ] - [ -0.0274443000000000, 0.0257864200000000, 0.0290162000000000 ] - [ 0.0060555800000000, 0.0034443700000000, 0.0235712700000000 ] - [ -0.0068041100000000, 0.0052659000000000, -0.0219568300000000 ] - [ -0.0067130700000000, 0.0051566600000000, -0.0225089300000000 ] - [ -0.0068024300000000, 0.0053061100000000, -0.0223123500000000 ] - [ -0.0067139700000000, 0.0050822300000000, -0.0224253700000000 ] - [ 0.0108200500000000, 0.0048602100000000, -0.0030574000000000 ] - [ 0.0108376700000000, 0.0167488500000000, 0.0015116300000000 ] - [ 0.0152090700000000, 0.0102110400000000, -0.0010869500000000 ] - [ 0.0153931600000000, 0.0104180700000000, -0.0009305200000000 ] - [ -0.0157857500000000, 0.0100439300000000, 0.0009161400000000 ] - [ -0.0146797600000000, 0.0101816400000000, 0.0007176800000000 ] - [ -0.0136168400000000, 0.0094738200000000, 0.0006022100000000 ] - [ -0.0154542700000000, 0.0102538400000000, 0.0008012100000000 ] - [ 0.0121158300000000, -0.0039027300000000, 0.0091437100000000 ] - [ 0.0132457000000000, -0.0039112500000000, 0.0088003900000000 ] - [ -0.0179246900000000, 0.0099521500000000, -0.0019290500000000 ] - [ 0.0150590500000000, -0.0032163000000000, 0.0079387300000000 ] - [ -0.0122035500000000, -0.0017415800000000, -0.0104417200000000 ] - [ -0.0125325800000000, -0.0035531700000000, -0.0090435900000000 ] - [ -0.0116675400000000, -0.0036838500000000, -0.0086993800000000 ] - [ -0.0133170800000000, -0.0041532000000000, -0.0087631000000000 ] - [ -0.0131306100000000, 0.0041716000000000, -0.0074609200000000 ] - [ -0.0145703400000000, 0.0020907600000000, -0.0072525200000000 ] - [ -0.0124934900000000, 0.0038330900000000, -0.0089055300000000 ] - [ -0.0128214800000000, 0.0038654900000000, -0.0090118900000000 ] - [ 0.0116323000000000, 0.0038077300000000, 0.0076935700000000 ] - [ 0.0123429100000000, 0.0029489500000000, 0.0090600800000000 ] - [ 0.0123720700000000, 0.0041467500000000, 0.0086332300000000 ] - [ 0.0130508400000000, 0.0034188200000000, 0.0095819900000000 ] - [ -0.0009876800000000, -0.0012822800000000, -0.0009635000000000 ] - [ -0.0025637300000000, -0.0022248100000000, 0.0032506900000000 ] - [ 0.0004294500000000, -0.0009133900000000, -0.0002289000000000 ] - [ -0.0014930500000000, 0.0022670000000000, 0.0008300300000000 ] - [ -0.0004004700000000, 0.0010299200000000, 0.0003621500000000 ] - [ 0.0001983900000000, -0.0003597200000000, -0.0003217400000000 ] - [ -0.0000541900000000, -0.0004535100000000, -0.0001500700000000 ] - [ -0.0000213900000000, -0.0001937300000000, -0.0000563300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008865800000000, 0.0096214600000000, -0.0186588700000000 ] - [ 0.0009616000000000, 0.0095963400000000, -0.0184424300000000 ] - [ 0.0040145600000000, 0.0179280700000000, -0.0197001900000000 ] - [ -0.0000707000000000, 0.0100049100000000, -0.0190555400000000 ] - [ -0.0018185500000000, 0.0110937400000000, 0.0183497100000000 ] - [ -0.0009708400000000, 0.0099046800000000, 0.0180994900000000 ] - [ -0.0014747400000000, 0.0097487800000000, 0.0180046400000000 ] - [ -0.0008760100000000, 0.0097446200000000, 0.0185861000000000 ] - [ -0.0008996400000000, -0.0090723000000000, 0.0184557400000000 ] - [ -0.0007890100000000, -0.0102080800000000, 0.0188524400000000 ] - [ -0.0009609400000000, -0.0096299800000000, 0.0185026200000000 ] - [ -0.0007781600000000, -0.0095167400000000, 0.0184247400000000 ] - [ 0.0044721500000000, -0.0084622100000000, -0.0154185200000000 ] - [ 0.0007479900000000, -0.0089417700000000, -0.0188502900000000 ] - [ 0.0009585100000000, -0.0090504400000000, -0.0188242600000000 ] - [ 0.0008922300000000, -0.0094321600000000, -0.0184976100000000 ] - [ 0.0154323400000000, -0.0087958300000000, -0.0007555900000000 ] - [ 0.0154434000000000, -0.0103779300000000, -0.0004751300000000 ] - [ 0.0154483600000000, -0.0105055600000000, -0.0009524400000000 ] - [ 0.0118911200000000, -0.0052477500000000, -0.0088547600000000 ] - [ -0.0151462300000000, -0.0101003900000000, 0.0010317100000000 ] - [ -0.0155853300000000, -0.0100683700000000, 0.0008611700000000 ] - [ -0.0152085600000000, -0.0096823400000000, 0.0006843700000000 ] - [ -0.0154969800000000, -0.0098894000000000, 0.0012536300000000 ] - [ -0.0007590100000000, 0.0143927400000000, 0.0057470800000000 ] - [ -0.0006397200000000, 0.0141703000000000, 0.0059669100000000 ] - [ -0.0007291600000000, 0.0145900500000000, 0.0057565600000000 ] - [ -0.0004151800000000, 0.0141674700000000, 0.0061159900000000 ] - [ 0.0003817600000000, 0.0144817800000000, -0.0052536600000000 ] - [ 0.0002763400000000, 0.0140687200000000, -0.0058527300000000 ] - [ 0.0013761100000000, 0.0064408700000000, -0.0063033000000000 ] - [ 0.0007492500000000, 0.0113894000000000, -0.0063654700000000 ] - [ 0.0010459600000000, -0.0144628700000000, -0.0055964800000000 ] - [ 0.0005787300000000, -0.0139988400000000, -0.0057805500000000 ] - [ 0.0006176300000000, -0.0141848400000000, -0.0057736800000000 ] - [ 0.0005752600000000, -0.0142166700000000, -0.0058773100000000 ] - [ 0.0223744800000000, 0.0330772700000000, -0.0215085600000000 ] - [ -0.0002955100000000, -0.0150892100000000, 0.0049969600000000 ] - [ -0.0006068800000000, -0.0145302300000000, 0.0057571000000000 ] - [ -0.0004605700000000, -0.0143186800000000, 0.0061137800000000 ] - [ -0.0008253200000000, 0.0028907300000000, 0.0010790300000000 ] - [ -0.0001474800000000, 0.0021518700000000, 0.0016395200000000 ] - [ -0.0005598200000000, 0.0023551900000000, 0.0007071400000000 ] - [ -0.0004526500000000, 0.0023022300000000, 0.0006012600000000 ] - [ -0.0052276800000000, 0.0094956900000000, -0.0078233200000000 ] - [ 0.0022926600000000, 0.0032254200000000, -0.0009292200000000 ] - [ 0.0006990200000000, 0.0024710400000000, -0.0001902300000000 ] - [ 0.0002701300000000, 0.0022036100000000, -0.0011072900000000 ] - [ 0.0003795100000000, -0.0022300400000000, -0.0008224500000000 ] - [ 0.0004261900000000, -0.0022231100000000, -0.0009041100000000 ] - [ 0.0004184900000000, -0.0020147600000000, -0.0006570100000000 ] - [ 0.0004242600000000, -0.0019266800000000, -0.0006426300000000 ] - [ -0.0009449800000000, -0.0031880100000000, -0.0002424400000000 ] - [ 0.0002157700000000, -0.0024803100000000, 0.0015168700000000 ] - [ 0.0020236700000000, -0.0053170200000000, -0.0037288900000000 ] - [ -0.0007190600000000, -0.0019682200000000, 0.0009913200000000 ] - [ -0.0078793300000000, 0.0127696100000000, -0.0204067100000000 ] - [ -0.0076681600000000, 0.0125298000000000, -0.0203990100000000 ] - [ -0.0080395400000000, 0.0123953000000000, -0.0203368000000000 ] - [ -0.0080619200000000, 0.0123042800000000, -0.0204264900000000 ] - [ 0.0139680500000000, 0.0286211300000000, 0.0308337000000000 ] - [ 0.0091623800000000, 0.0091608000000000, 0.0208104000000000 ] - [ 0.0078557100000000, 0.0118982100000000, 0.0208964100000000 ] - [ 0.0079244700000000, 0.0122765400000000, 0.0202191000000000 ] - [ 0.0083676100000000, -0.0126532900000000, 0.0204823500000000 ] - [ 0.0077775100000000, -0.0122197900000000, 0.0203283400000000 ] - [ 0.0082533800000000, -0.0118909300000000, 0.0197342500000000 ] - [ 0.0079330800000000, -0.0123087800000000, 0.0209780100000000 ] - [ -0.0082594800000000, -0.0115978400000000, -0.0215207600000000 ] - [ -0.0074549000000000, -0.0120469000000000, -0.0201229400000000 ] - [ -0.0058749900000000, -0.0100484700000000, -0.0152844200000000 ] - [ -0.0083504200000000, -0.0116494700000000, -0.0209514900000000 ] - [ -0.0015811700000000, -0.1768835700000000, 0.0170357600000000 ] - [ -0.0072848400000000, -0.0055675900000000, -0.0225123000000000 ] - [ -0.0068740100000000, -0.0051591100000000, -0.0224722400000000 ] - [ -0.0069849700000000, -0.0059156500000000, -0.0220622200000000 ] - [ 0.0064879400000000, -0.0055265300000000, 0.0221035100000000 ] - [ 0.0067684400000000, -0.0052580700000000, 0.0222780000000000 ] - [ 0.0067459700000000, -0.0053643800000000, 0.0221723100000000 ] - [ 0.0070145900000000, -0.0050932900000000, 0.0222451800000000 ] - [ 0.0067618400000000, 0.0052401400000000, 0.0222863400000000 ] - [ 0.0069364100000000, 0.0063105600000000, 0.0220780700000000 ] - [ -0.0137544600000000, 0.0416400700000000, 0.0336213000000000 ] - [ 0.0085982200000000, 0.0059280800000000, 0.0238900100000000 ] - [ -0.0067205400000000, 0.0054445800000000, -0.0219056300000000 ] - [ -0.0069423600000000, 0.0049870500000000, -0.0219787500000000 ] - [ -0.0067570600000000, 0.0054465100000000, -0.0222978200000000 ] - [ -0.0068687300000000, 0.0049877500000000, -0.0229301200000000 ] - [ 0.0180822500000000, 0.0125609900000000, 0.0019615700000000 ] - [ 0.0085097000000000, 0.0155399700000000, 0.0014728300000000 ] - [ 0.0151587000000000, 0.0102566500000000, -0.0009942300000000 ] - [ 0.0153763500000000, 0.0102449800000000, -0.0010591300000000 ] - [ -0.0153139500000000, 0.0109334000000000, 0.0004903100000000 ] - [ -0.0149846000000000, 0.0098767100000000, 0.0005023300000000 ] - [ -0.0149576200000000, 0.0101672200000000, 0.0008794600000000 ] - [ -0.0153483200000000, 0.0104307800000000, 0.0007133300000000 ] - [ 0.0126433000000000, -0.0026248100000000, 0.0094284500000000 ] - [ 0.0126421500000000, -0.0032274200000000, 0.0086783700000000 ] - [ 0.0000781700000000, 0.0433628500000000, -0.0097557100000000 ] - [ 0.0121280400000000, -0.0026901100000000, 0.0091616100000000 ] - [ -0.0120881400000000, -0.0033873000000000, -0.0097349300000000 ] - [ -0.0127537600000000, -0.0038988700000000, -0.0086111400000000 ] - [ -0.0122647900000000, -0.0037121700000000, -0.0089643800000000 ] - [ -0.0129600800000000, -0.0043577100000000, -0.0089177200000000 ] - [ -0.0133188700000000, 0.0036335900000000, -0.0081299000000000 ] - [ -0.0128114500000000, 0.0048625700000000, -0.0106662800000000 ] - [ -0.0125519100000000, 0.0031459400000000, -0.0091663400000000 ] - [ -0.0127726700000000, 0.0034087400000000, -0.0088583400000000 ] - [ 0.0129080300000000, 0.0026552300000000, 0.0070407400000000 ] - [ 0.0135660400000000, 0.0059279600000000, 0.0079481300000000 ] - [ 0.0128393300000000, 0.0034684200000000, 0.0095185100000000 ] - [ 0.0128188800000000, 0.0035434200000000, 0.0094212700000000 ] - [ -0.0017789700000000, -0.0012386700000000, -0.0036504200000000 ] - [ -0.0023209600000000, -0.0042160700000000, 0.0031316400000000 ] - [ 0.0010704700000000, 0.0026545800000000, -0.0021739800000000 ] - [ -0.0001845500000000, 0.0018832900000000, 0.0003987900000000 ] - [ -0.0000471600000000, 0.0001776600000000, 0.0000879500000000 ] - [ 0.0000740100000000, -0.0002189000000000, 0.0000544100000000 ] - [ -0.0002147100000000, -0.0010616800000000, -0.0004295400000000 ] - [ 0.0001630200000000, -0.0012442100000000, -0.0004139200000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010024900000000, 0.0098840500000000, -0.0181805500000000 ] - [ 0.0009280000000000, 0.0099075200000000, -0.0183974400000000 ] - [ -0.0021558200000000, 0.0014611100000000, -0.0171021400000000 ] - [ 0.0019719600000000, 0.0095014200000000, -0.0177715200000000 ] - [ -0.0000924600000000, 0.0084406100000000, 0.0184745400000000 ] - [ -0.0009194600000000, 0.0096071200000000, 0.0187432100000000 ] - [ -0.0003822100000000, 0.0097653900000000, 0.0188494300000000 ] - [ -0.0010132200000000, 0.0097581200000000, 0.0182541600000000 ] - [ -0.0009961800000000, -0.0104507900000000, 0.0183858400000000 ] - [ -0.0010937400000000, -0.0093023500000000, 0.0179931500000000 ] - [ -0.0009317100000000, -0.0098765900000000, 0.0183366600000000 ] - [ -0.0011157400000000, -0.0099933500000000, 0.0184161800000000 ] - [ -0.0026133700000000, -0.0110695500000000, -0.0214865500000000 ] - [ 0.0011352300000000, -0.0105720400000000, -0.0179829000000000 ] - [ 0.0009294100000000, -0.0104534100000000, -0.0180132400000000 ] - [ 0.0010004700000000, -0.0100750900000000, -0.0183418000000000 ] - [ 0.0152182100000000, -0.0117562400000000, -0.0010112100000000 ] - [ 0.0151936200000000, -0.0101582400000000, -0.0012751100000000 ] - [ 0.0151904500000000, -0.0100272400000000, -0.0007951000000000 ] - [ 0.0187644900000000, -0.0153145800000000, 0.0071793600000000 ] - [ -0.0154872200000000, -0.0104334100000000, 0.0007131000000000 ] - [ -0.0150393300000000, -0.0104648000000000, 0.0008835600000000 ] - [ -0.0154279000000000, -0.0108611100000000, 0.0010610800000000 ] - [ -0.0151259800000000, -0.0106413200000000, 0.0004803500000000 ] - [ -0.0005911500000000, 0.0142058100000000, 0.0058777000000000 ] - [ -0.0007168900000000, 0.0144330300000000, 0.0056598200000000 ] - [ -0.0006260900000000, 0.0140055400000000, 0.0058685000000000 ] - [ -0.0009355900000000, 0.0144223200000000, 0.0055136800000000 ] - [ 0.0009726400000000, 0.0141118700000000, -0.0063763900000000 ] - [ 0.0010695700000000, 0.0145352300000000, -0.0057719500000000 ] - [ 0.0000062100000000, 0.0221379100000000, -0.0053677600000000 ] - [ 0.0006001900000000, 0.0172442800000000, -0.0052868600000000 ] - [ 0.0003020300000000, -0.0141289200000000, -0.0060345400000000 ] - [ 0.0007751500000000, -0.0146067700000000, -0.0058452000000000 ] - [ 0.0007388800000000, -0.0144197800000000, -0.0058537400000000 ] - [ 0.0007769600000000, -0.0143867300000000, -0.0057446700000000 ] - [ -0.0228432400000000, -0.0606874600000000, 0.0320864300000000 ] - [ -0.0010492900000000, -0.0134959800000000, 0.0066522500000000 ] - [ -0.0007440400000000, -0.0140661800000000, 0.0058647500000000 ] - [ -0.0008962400000000, -0.0142769300000000, 0.0055154800000000 ] - [ -0.0000853100000000, 0.0016775700000000, 0.0004368000000000 ] - [ -0.0007739400000000, 0.0024292400000000, -0.0001350000000000 ] - [ -0.0003582500000000, 0.0022160000000000, 0.0008157000000000 ] - [ -0.0004708300000000, 0.0022694100000000, 0.0009222400000000 ] - [ 0.0061124500000000, -0.0047845100000000, 0.0062284900000000 ] - [ -0.0013788100000000, 0.0013517600000000, -0.0005795500000000 ] - [ 0.0002244900000000, 0.0021145400000000, -0.0013295900000000 ] - [ 0.0006453800000000, 0.0023703700000000, -0.0004112900000000 ] - [ 0.0005391300000000, -0.0023422700000000, -0.0006963300000000 ] - [ 0.0004943900000000, -0.0023504000000000, -0.0006135500000000 ] - [ 0.0004959000000000, -0.0025673500000000, -0.0008528500000000 ] - [ 0.0004943500000000, -0.0026507300000000, -0.0008795500000000 ] - [ 0.0000173700000000, -0.0013910400000000, 0.0017689700000000 ] - [ -0.0011347700000000, -0.0020992700000000, 0.0000015600000000 ] - [ -0.0029356600000000, 0.0007982700000000, 0.0052519200000000 ] - [ -0.0002178600000000, -0.0025872400000000, 0.0005264800000000 ] - [ -0.0077941800000000, 0.0119603000000000, -0.0203069000000000 ] - [ -0.0080067100000000, 0.0121906100000000, -0.0203138900000000 ] - [ -0.0076217600000000, 0.0123361300000000, -0.0203711500000000 ] - [ -0.0076061700000000, 0.0124271200000000, -0.0202832000000000 ] - [ 0.0015843700000000, -0.0039697700000000, 0.0098272200000000 ] - [ 0.0065065900000000, 0.0155769200000000, 0.0199049300000000 ] - [ 0.0078173600000000, 0.0128339000000000, 0.0198088700000000 ] - [ 0.0077397900000000, 0.0124645100000000, 0.0204814300000000 ] - [ 0.0072932200000000, -0.0120867300000000, 0.0202219500000000 ] - [ 0.0078911200000000, -0.0125148800000000, 0.0203801700000000 ] - [ 0.0074061300000000, -0.0128548300000000, 0.0209907500000000 ] - [ 0.0077315400000000, -0.0124233100000000, 0.0197181900000000 ] - [ -0.0074109300000000, -0.0131291000000000, -0.0191879400000000 ] - [ -0.0082194600000000, -0.0126844300000000, -0.0205882200000000 ] - [ -0.0098756300000000, -0.0146512300000000, -0.0254097100000000 ] - [ -0.0073231100000000, -0.0130774000000000, -0.0197641200000000 ] - [ -0.0125727700000000, 0.1661239300000000, -0.0621437000000000 ] - [ -0.0061863800000000, -0.0050048300000000, -0.0219024600000000 ] - [ -0.0066001300000000, -0.0054167200000000, -0.0219493100000000 ] - [ -0.0064910200000000, -0.0046606100000000, -0.0223558400000000 ] - [ 0.0069919100000000, -0.0050519400000000, 0.0223138000000000 ] - [ 0.0067087900000000, -0.0053220800000000, 0.0221366200000000 ] - [ 0.0067258000000000, -0.0052220500000000, 0.0222352800000000 ] - [ 0.0064589300000000, -0.0054898400000000, 0.0221695000000000 ] - [ 0.0067134200000000, 0.0053439200000000, 0.0221263500000000 ] - [ 0.0065352400000000, 0.0042731600000000, 0.0223338200000000 ] - [ 0.0264330700000000, -0.0302707300000000, 0.0113361200000000 ] - [ 0.0048702400000000, 0.0046399800000000, 0.0205240600000000 ] - [ -0.0067610400000000, 0.0051274600000000, -0.0225173000000000 ] - [ -0.0065339900000000, 0.0055906500000000, -0.0224398000000000 ] - [ -0.0067227100000000, 0.0051295300000000, -0.0221199200000000 ] - [ -0.0066060600000000, 0.0055852600000000, -0.0214843000000000 ] - [ 0.0124778900000000, 0.0079365700000000, -0.0037285300000000 ] - [ 0.0222103200000000, 0.0049432100000000, -0.0032590900000000 ] - [ 0.0154768400000000, 0.0102832700000000, -0.0007481900000000 ] - [ 0.0152576500000000, 0.0102912100000000, -0.0006876700000000 ] - [ -0.0153167600000000, 0.0096042700000000, 0.0012563300000000 ] - [ -0.0156436500000000, 0.0106451400000000, 0.0012521200000000 ] - [ -0.0156968600000000, 0.0103708400000000, 0.0008700500000000 ] - [ -0.0152806300000000, 0.0101035600000000, 0.0010300700000000 ] - [ 0.0126311700000000, -0.0045153600000000, 0.0083446900000000 ] - [ 0.0126247500000000, -0.0039164700000000, 0.0090921400000000 ] - [ 0.0259940200000000, -0.0522331200000000, 0.0289361700000000 ] - [ 0.0131579500000000, -0.0044566400000000, 0.0085992500000000 ] - [ -0.0131692500000000, -0.0037425100000000, -0.0080408800000000 ] - [ -0.0125112800000000, -0.0032426100000000, -0.0091534500000000 ] - [ -0.0130070800000000, -0.0034181800000000, -0.0088032700000000 ] - [ -0.0122957400000000, -0.0027743200000000, -0.0088468200000000 ] - [ -0.0120759500000000, 0.0036569200000000, -0.0096742800000000 ] - [ -0.0124292600000000, 0.0023790400000000, -0.0071390500000000 ] - [ -0.0127178200000000, 0.0039952800000000, -0.0085901000000000 ] - [ -0.0124887000000000, 0.0037333200000000, -0.0088949000000000 ] - [ 0.0123579900000000, 0.0044997600000000, 0.0107418400000000 ] - [ 0.0116959000000000, 0.0012142200000000, 0.0098309700000000 ] - [ 0.0124300400000000, 0.0036771500000000, 0.0082400000000000 ] - [ 0.0124511300000000, 0.0036004600000000, 0.0083386200000000 ] - [ 0.0018403300000000, 0.0012027600000000, 0.0036932300000000 ] - [ 0.0023450000000000, 0.0042083300000000, -0.0031633900000000 ] - [ -0.0010538400000000, -0.0026605200000000, 0.0021875900000000 ] - [ 0.0001886000000000, -0.0019005000000000, -0.0003942100000000 ] - [ 0.0000522100000000, -0.0001785500000000, -0.0000884900000000 ] - [ -0.0000788200000000, 0.0002281800000000, -0.0000518700000000 ] - [ 0.0002178800000000, 0.0010750000000000, 0.0004350700000000 ] - [ -0.0001666200000000, 0.0012605900000000, 0.0004197200000000 ]- atom: 73 displacement: [ -0.0019892822674104, 0.0000000000000000, 0.0098001406143262 ] forces: - [ 0.0010615100000000, 0.0098917500000000, -0.0183273400000000 ] - [ 0.0010741900000000, 0.0098525800000000, -0.0182492300000000 ] - [ -0.0011718800000000, 0.0055606500000000, -0.0210044200000000 ] - [ 0.0006673100000000, 0.0098319100000000, -0.0180472800000000 ] - [ -0.0007997800000000, 0.0097158900000000, 0.0190581400000000 ] - [ -0.0011630200000000, 0.0094771700000000, 0.0183623100000000 ] - [ -0.0002175500000000, 0.0094905100000000, 0.0185230200000000 ] - [ -0.0010217700000000, 0.0098908300000000, 0.0182975400000000 ] - [ -0.0006547300000000, -0.0090238200000000, 0.0186979600000000 ] - [ -0.0005729200000000, -0.0097403100000000, 0.0182833800000000 ] - [ -0.0008725400000000, -0.0097636600000000, 0.0184362700000000 ] - [ -0.0009489700000000, -0.0095920300000000, 0.0184693700000000 ] - [ 0.0021362200000000, -0.0062879400000000, -0.0155179800000000 ] - [ 0.0015935300000000, -0.0102008200000000, -0.0181305100000000 ] - [ 0.0004177300000000, -0.0117517500000000, -0.0175924500000000 ] - [ 0.0005145300000000, -0.0095664600000000, -0.0188181300000000 ] - [ 0.0151063200000000, -0.0093007000000000, 0.0000759300000000 ] - [ 0.0152571600000000, -0.0101490400000000, -0.0008935100000000 ] - [ 0.0151054300000000, -0.0105366300000000, -0.0010041800000000 ] - [ 0.0180540500000000, -0.0151408500000000, 0.0029238600000000 ] - [ -0.0153318900000000, -0.0101591200000000, 0.0009701600000000 ] - [ -0.0154189300000000, -0.0102950900000000, 0.0008679900000000 ] - [ -0.0148678800000000, -0.0112250900000000, -0.0006968100000000 ] - [ -0.0156437000000000, -0.0094905900000000, 0.0011454200000000 ] - [ -0.0005968300000000, 0.0142662300000000, 0.0058279400000000 ] - [ -0.0009328000000000, 0.0142886500000000, 0.0058891800000000 ] - [ -0.0007018700000000, 0.0142620600000000, 0.0057291400000000 ] - [ -0.0007145600000000, 0.0143827800000000, 0.0060132400000000 ] - [ 0.0007100700000000, 0.0140235300000000, -0.0051071800000000 ] - [ 0.0006275900000000, 0.0147184300000000, -0.0064110700000000 ] - [ -0.0057251700000000, 0.0154467800000000, 0.0000242500000000 ] - [ 0.0056119500000000, 0.0154913600000000, -0.0015850200000000 ] - [ 0.0003398800000000, -0.0137052900000000, -0.0059305500000000 ] - [ 0.0007590500000000, -0.0143529600000000, -0.0056650300000000 ] - [ 0.0006639300000000, -0.0143505700000000, -0.0058447000000000 ] - [ 0.0006890700000000, -0.0144714000000000, -0.0056282900000000 ] - [ -0.0228177600000000, -0.0452195700000000, 0.0439105900000000 ] - [ -0.0012466900000000, -0.0148834900000000, 0.0046639100000000 ] - [ -0.0009416400000000, -0.0139055100000000, 0.0061541100000000 ] - [ -0.0007068800000000, -0.0142184700000000, 0.0059012800000000 ] - [ -0.0001803800000000, 0.0022713300000000, 0.0007639200000000 ] - [ -0.0003492500000000, 0.0022309900000000, -0.0001014400000000 ] - [ -0.0004282800000000, 0.0022078900000000, 0.0009490700000000 ] - [ -0.0005443700000000, 0.0022771600000000, 0.0008155700000000 ] - [ 0.0059554100000000, -0.0032902100000000, 0.0028733600000000 ] - [ -0.0010237200000000, 0.0021838700000000, 0.0001352100000000 ] - [ 0.0005387300000000, 0.0025893300000000, -0.0007624900000000 ] - [ 0.0006256100000000, 0.0025494900000000, -0.0003314100000000 ] - [ 0.0004162100000000, -0.0023588100000000, -0.0006786600000000 ] - [ 0.0004969200000000, -0.0024839200000000, -0.0008279000000000 ] - [ 0.0002682100000000, -0.0022959900000000, -0.0009032400000000 ] - [ 0.0011763900000000, -0.0023735700000000, -0.0007768400000000 ] - [ -0.0006030500000000, -0.0024256000000000, 0.0012372400000000 ] - [ -0.0005365300000000, -0.0021826800000000, 0.0010132700000000 ] - [ -0.0014827600000000, -0.0032839400000000, 0.0120540400000000 ] - [ 0.0003906200000000, -0.0028564300000000, 0.0010002100000000 ] - [ -0.0076230400000000, 0.0122372700000000, -0.0205048100000000 ] - [ -0.0079834900000000, 0.0123735800000000, -0.0195423700000000 ] - [ -0.0078172500000000, 0.0122770900000000, -0.0203339100000000 ] - [ -0.0080497700000000, 0.0122884200000000, -0.0203394800000000 ] - [ 0.0244086800000000, 0.0228193300000000, 0.0584659200000000 ] - [ 0.0063870800000000, 0.0129190100000000, 0.0214295300000000 ] - [ 0.0079189800000000, 0.0130278600000000, 0.0199855900000000 ] - [ 0.0080484600000000, 0.0122128900000000, 0.0208395500000000 ] - [ 0.0080413100000000, -0.0124250000000000, 0.0203931000000000 ] - [ 0.0078248500000000, -0.0126566000000000, 0.0203405300000000 ] - [ 0.0080873900000000, -0.0126233500000000, 0.0204118700000000 ] - [ 0.0080329600000000, -0.0126627000000000, 0.0208430400000000 ] - [ -0.0079462400000000, -0.0127313000000000, -0.0198151600000000 ] - [ -0.0079719500000000, -0.0122868400000000, -0.0205882000000000 ] - [ -0.0094400200000000, -0.0078912400000000, -0.0164008700000000 ] - [ -0.0079413500000000, -0.0127311700000000, -0.0199502900000000 ] - [ 0.0085140600000000, 0.0321179300000000, -0.1797588400000000 ] - [ -0.0067425600000000, -0.0054746000000000, -0.0225972000000000 ] - [ -0.0065375300000000, -0.0055170500000000, -0.0219875100000000 ] - [ -0.0066899200000000, -0.0050925900000000, -0.0220263900000000 ] - [ 0.0067524500000000, -0.0052343500000000, 0.0223768000000000 ] - [ 0.0068529200000000, -0.0053536500000000, 0.0220675600000000 ] - [ 0.0067316400000000, -0.0052583500000000, 0.0221201800000000 ] - [ 0.0068204000000000, -0.0052702100000000, 0.0221307700000000 ] - [ 0.0066843900000000, 0.0053639400000000, 0.0222250100000000 ] - [ 0.0067341700000000, 0.0051209100000000, 0.0222781000000000 ] - [ -0.0067006700000000, 0.0204473400000000, 0.0424438700000000 ] - [ 0.0052654800000000, 0.0065669200000000, 0.0193695200000000 ] - [ -0.0066538500000000, 0.0053725200000000, -0.0222327500000000 ] - [ -0.0065226400000000, 0.0059721400000000, -0.0222237200000000 ] - [ -0.0070023000000000, 0.0049913300000000, -0.0223033100000000 ] - [ -0.0064390000000000, 0.0050151300000000, -0.0222121100000000 ] - [ 0.0158467800000000, 0.0118805500000000, -0.0065651100000000 ] - [ 0.0131769600000000, 0.0129480800000000, -0.0027469100000000 ] - [ 0.0154308300000000, 0.0099844700000000, -0.0007551800000000 ] - [ 0.0152985500000000, 0.0103119000000000, -0.0005075500000000 ] - [ -0.0153261200000000, 0.0096024600000000, 0.0013550200000000 ] - [ -0.0156221700000000, 0.0107082100000000, 0.0010461900000000 ] - [ -0.0155575200000000, 0.0103675900000000, 0.0009735600000000 ] - [ -0.0152771200000000, 0.0101800100000000, 0.0008248100000000 ] - [ 0.0125529700000000, -0.0037549800000000, 0.0082800800000000 ] - [ 0.0124883700000000, -0.0035012800000000, 0.0079863200000000 ] - [ 0.0178292600000000, -0.0229791800000000, 0.0442729100000000 ] - [ 0.0130776700000000, -0.0034285600000000, 0.0096356100000000 ] - [ -0.0129836600000000, -0.0039890200000000, -0.0087323700000000 ] - [ -0.0124542100000000, -0.0033395100000000, -0.0089798600000000 ] - [ -0.0127951600000000, -0.0033548800000000, -0.0086708100000000 ] - [ -0.0128899600000000, -0.0037692900000000, -0.0086114700000000 ] - [ -0.0101695700000000, -0.0005024200000000, -0.0095498600000000 ] - [ -0.0113806400000000, 0.0066188400000000, -0.0119664800000000 ] - [ -0.0126804100000000, 0.0035299500000000, -0.0091307300000000 ] - [ -0.0126301200000000, 0.0032089900000000, -0.0092840200000000 ] - [ 0.0129935600000000, 0.0028427900000000, 0.0091146800000000 ] - [ 0.0110108200000000, -0.0004223300000000, 0.0094162900000000 ] - [ 0.0124025800000000, 0.0048268700000000, 0.0081643400000000 ] - [ 0.0126782900000000, 0.0039215600000000, 0.0087468400000000 ] - [ 0.0002929700000000, -0.0005365400000000, 0.0000551200000000 ] - [ -0.0013812600000000, -0.0024338600000000, 0.0033481000000000 ] - [ -0.0006162600000000, -0.0021289600000000, -0.0004477800000000 ] - [ -0.0003328500000000, -0.0018623100000000, -0.0023907700000000 ] - [ 0.0001432600000000, 0.0000323700000000, -0.0001483200000000 ] - [ -0.0002414100000000, 0.0002907200000000, -0.0003287300000000 ] - [ 0.0000785100000000, 0.0005912800000000, 0.0002961900000000 ] - [ -0.0000461400000000, 0.0002230000000000, 0.0001646600000000 ]- atom: 73 displacement: [ 0.0019892822674104, 0.0000000000000000, -0.0098001406143262 ] forces: - [ 0.0008260100000000, 0.0096110500000000, -0.0185102100000000 ] - [ 0.0008147700000000, 0.0096532900000000, -0.0185929200000000 ] - [ 0.0030710500000000, 0.0139126400000000, -0.0158595700000000 ] - [ 0.0012243800000000, 0.0096695700000000, -0.0188023700000000 ] - [ -0.0011167100000000, 0.0098076300000000, 0.0177682000000000 ] - [ -0.0007298200000000, 0.0100291700000000, 0.0184760400000000 ] - [ -0.0016561400000000, 0.0100343400000000, 0.0183397100000000 ] - [ -0.0008666100000000, 0.0096177000000000, 0.0185410300000000 ] - [ -0.0012354200000000, -0.0104775400000000, 0.0181482600000000 ] - [ -0.0013244700000000, -0.0097672000000000, 0.0185505400000000 ] - [ -0.0010206300000000, -0.0097436700000000, 0.0184040100000000 ] - [ -0.0009381800000000, -0.0099140500000000, 0.0183732900000000 ] - [ -0.0003065500000000, -0.0132594200000000, -0.0213694600000000 ] - [ 0.0002951400000000, -0.0092980300000000, -0.0187118100000000 ] - [ 0.0014610300000000, -0.0078067500000000, -0.0192347500000000 ] - [ 0.0013731200000000, -0.0099388400000000, -0.0180251500000000 ] - [ 0.0155531900000000, -0.0112493900000000, -0.0018419400000000 ] - [ 0.0153791100000000, -0.0103866100000000, -0.0008509100000000 ] - [ 0.0155252400000000, -0.0100012300000000, -0.0007471700000000 ] - [ 0.0125737400000000, -0.0053880200000000, -0.0046686900000000 ] - [ -0.0153026100000000, -0.0103770900000000, 0.0007790200000000 ] - [ -0.0152155400000000, -0.0102406200000000, 0.0008786200000000 ] - [ -0.0157652900000000, -0.0093210800000000, 0.0024357500000000 ] - [ -0.0149853700000000, -0.0110442200000000, 0.0006092900000000 ] - [ -0.0007560600000000, 0.0143335600000000, 0.0057959900000000 ] - [ -0.0004227800000000, 0.0143154200000000, 0.0057388200000000 ] - [ -0.0006521200000000, 0.0143369000000000, 0.0058958000000000 ] - [ -0.0006337900000000, 0.0142114800000000, 0.0056153100000000 ] - [ 0.0006433400000000, 0.0145753100000000, -0.0065012300000000 ] - [ 0.0007413400000000, 0.0138840300000000, -0.0052192500000000 ] - [ 0.0069589500000000, 0.0132072500000000, -0.0115929900000000 ] - [ -0.0042087700000000, 0.0131181500000000, -0.0100368600000000 ] - [ 0.0010125000000000, -0.0148945700000000, -0.0056952600000000 ] - [ 0.0005941800000000, -0.0142453000000000, -0.0059618000000000 ] - [ 0.0006909700000000, -0.0142532300000000, -0.0057822400000000 ] - [ 0.0006613500000000, -0.0141316300000000, -0.0059908200000000 ] - [ 0.0220955700000000, 0.0178476200000000, -0.0328625500000000 ] - [ -0.0001053000000000, -0.0137326200000000, 0.0069537700000000 ] - [ -0.0004134400000000, -0.0146959200000000, 0.0054728200000000 ] - [ -0.0006538100000000, -0.0143795400000000, 0.0057323400000000 ] - [ -0.0007430100000000, 0.0023033100000000, 0.0007553300000000 ] - [ -0.0005656300000000, 0.0023474000000000, 0.0016246100000000 ] - [ -0.0004920700000000, 0.0023639400000000, 0.0005760300000000 ] - [ -0.0003773200000000, 0.0022967600000000, 0.0007082400000000 ] - [ -0.0050462900000000, 0.0079376600000000, -0.0044815700000000 ] - [ 0.0019372400000000, 0.0023876000000000, -0.0016468700000000 ] - [ 0.0003883900000000, 0.0019915400000000, -0.0007646400000000 ] - [ 0.0002941000000000, 0.0020222200000000, -0.0011842300000000 ] - [ 0.0005025900000000, -0.0022132400000000, -0.0008406300000000 ] - [ 0.0004227100000000, -0.0020886700000000, -0.0006908100000000 ] - [ 0.0006452000000000, -0.0022814100000000, -0.0006094100000000 ] - [ -0.0002521700000000, -0.0021987400000000, -0.0007373500000000 ] - [ -0.0003254300000000, -0.0021556000000000, 0.0002711600000000 ] - [ -0.0003849900000000, -0.0023903900000000, 0.0005058800000000 ] - [ 0.0005686100000000, -0.0012802400000000, -0.0103776200000000 ] - [ -0.0013039100000000, -0.0017154000000000, 0.0005220600000000 ] - [ -0.0080482900000000, 0.0124976800000000, -0.0202060100000000 ] - [ -0.0076860300000000, 0.0123581500000000, -0.0211662500000000 ] - [ -0.0078454300000000, 0.0124568700000000, -0.0203735200000000 ] - [ -0.0076200500000000, 0.0124457400000000, -0.0203694500000000 ] - [ -0.0094910700000000, 0.0016143500000000, -0.0184429800000000 ] - [ 0.0093067900000000, 0.0117973000000000, 0.0192838200000000 ] - [ 0.0077472800000000, 0.0117244000000000, 0.0207163600000000 ] - [ 0.0076225200000000, 0.0125218300000000, 0.0198708500000000 ] - [ 0.0076165200000000, -0.0123124800000000, 0.0203118300000000 ] - [ 0.0078419300000000, -0.0120747500000000, 0.0203696200000000 ] - [ 0.0075814500000000, -0.0121093200000000, 0.0202931400000000 ] - [ 0.0076323500000000, -0.0120711200000000, 0.0198656900000000 ] - [ -0.0077254300000000, -0.0119979600000000, -0.0208889200000000 ] - [ -0.0076909700000000, -0.0124479400000000, -0.0201146700000000 ] - [ -0.0062884700000000, -0.0167928500000000, -0.0242799700000000 ] - [ -0.0077285300000000, -0.0120046300000000, -0.0207644400000000 ] - [ -0.0217757800000000, -0.0432796400000000, 0.1357422000000000 ] - [ -0.0067325400000000, -0.0050970500000000, -0.0218194800000000 ] - [ -0.0069362600000000, -0.0050582000000000, -0.0224304200000000 ] - [ -0.0067864600000000, -0.0054807900000000, -0.0223888200000000 ] - [ 0.0067213100000000, -0.0053426400000000, 0.0220400600000000 ] - [ 0.0066254800000000, -0.0052261400000000, 0.0223479900000000 ] - [ 0.0067403500000000, -0.0053249800000000, 0.0222888800000000 ] - [ 0.0066562700000000, -0.0053085400000000, 0.0222804700000000 ] - [ 0.0067888800000000, 0.0052153700000000, 0.0221883300000000 ] - [ 0.0067410400000000, 0.0054540100000000, 0.0221441600000000 ] - [ 0.0197099400000000, -0.0093813200000000, 0.0022686600000000 ] - [ 0.0082047700000000, 0.0040091900000000, 0.0250440100000000 ] - [ -0.0068259200000000, 0.0052061500000000, -0.0221855700000000 ] - [ -0.0069536000000000, 0.0046038000000000, -0.0221908500000000 ] - [ -0.0064767400000000, 0.0055823600000000, -0.0221155100000000 ] - [ -0.0070371900000000, 0.0055556100000000, -0.0222083100000000 ] - [ 0.0147820100000000, 0.0086417100000000, 0.0048395700000000 ] - [ 0.0174396400000000, 0.0076142900000000, 0.0009873900000000 ] - [ 0.0152053500000000, 0.0105455500000000, -0.0009913200000000 ] - [ 0.0153384400000000, 0.0102245000000000, -0.0012358600000000 ] - [ -0.0153066200000000, 0.0109263400000000, 0.0003909600000000 ] - [ -0.0150117800000000, 0.0098238500000000, 0.0007004900000000 ] - [ -0.0150921500000000, 0.0101734900000000, 0.0007736900000000 ] - [ -0.0153548400000000, 0.0103560000000000, 0.0009183800000000 ] - [ 0.0127186900000000, -0.0033877100000000, 0.0094802500000000 ] - [ 0.0127895100000000, -0.0036439600000000, 0.0097810500000000 ] - [ 0.0078833600000000, 0.0149270600000000, -0.0258954300000000 ] - [ 0.0122243000000000, -0.0037291700000000, 0.0081091400000000 ] - [ -0.0122737000000000, -0.0031387200000000, -0.0090454000000000 ] - [ -0.0128114900000000, -0.0038030300000000, -0.0087804600000000 ] - [ -0.0124606300000000, -0.0037846700000000, -0.0091060300000000 ] - [ -0.0123730400000000, -0.0033763400000000, -0.0091569500000000 ] - [ -0.0150384600000000, 0.0075907700000000, -0.0082090000000000 ] - [ -0.0138491500000000, 0.0005494600000000, -0.0058086200000000 ] - [ -0.0125887800000000, 0.0036068600000000, -0.0086295900000000 ] - [ -0.0126422200000000, 0.0039375100000000, -0.0084820600000000 ] - [ 0.0122858200000000, 0.0042949600000000, 0.0086444600000000 ] - [ 0.0142738600000000, 0.0075846400000000, 0.0083643100000000 ] - [ 0.0128605600000000, 0.0023463400000000, 0.0095801800000000 ] - [ 0.0125980600000000, 0.0032333000000000, 0.0090182700000000 ] - [ -0.0003513300000000, 0.0005557300000000, -0.0001038200000000 ] - [ 0.0013992800000000, 0.0024377800000000, -0.0034247800000000 ] - [ 0.0006107000000000, 0.0021155800000000, 0.0004801700000000 ] - [ 0.0003364900000000, 0.0018431600000000, 0.0023987900000000 ] - [ -0.0001409400000000, -0.0000379800000000, 0.0001432700000000 ] - [ 0.0002388400000000, -0.0002823200000000, 0.0003278900000000 ] - [ -0.0000792400000000, -0.0005976700000000, -0.0002947500000000 ] - [ 0.0000478300000000, -0.0002250700000000, -0.0001658900000000 ]- atom: 97 displacement: [ 0.0099999991596329, 0.0000000000000000, 0.0000040996757033 ] forces: - [ 0.0380003200000000, 0.0225807200000000, -0.0075437100000000 ] - [ 0.0006883900000000, 0.0075982300000000, -0.0238222000000000 ] - [ 0.0010037200000000, 0.0099266000000000, -0.0184582300000000 ] - [ 0.0008315300000000, 0.0098536200000000, -0.0183600400000000 ] - [ -0.0016041000000000, 0.0102634500000000, 0.0184618900000000 ] - [ -0.0006295200000000, 0.0097863000000000, 0.0182693400000000 ] - [ -0.0017828000000000, 0.0101089600000000, 0.0180603200000000 ] - [ -0.0007203300000000, 0.0095128400000000, 0.0186553800000000 ] - [ -0.0010365300000000, -0.0097684800000000, 0.0183757100000000 ] - [ -0.0007835300000000, -0.0097226700000000, 0.0184275100000000 ] - [ -0.0007056500000000, -0.0091677400000000, 0.0185564300000000 ] - [ -0.0011303800000000, -0.0099471200000000, 0.0182950900000000 ] - [ 0.0027018400000000, -0.0122609600000000, -0.0203692100000000 ] - [ 0.0023051700000000, -0.0132784600000000, -0.0161711500000000 ] - [ 0.0022812300000000, -0.0101097300000000, -0.0184552500000000 ] - [ 0.0006335100000000, -0.0072620700000000, -0.0187989000000000 ] - [ 0.0129542800000000, -0.0101429700000000, -0.0005360300000000 ] - [ 0.0373035900000000, -0.0114408700000000, 0.0025148000000000 ] - [ 0.0144127500000000, -0.0100826700000000, -0.0013299700000000 ] - [ 0.0158859600000000, -0.0102417000000000, -0.0006308200000000 ] - [ -0.0150244900000000, -0.0102910800000000, 0.0006449400000000 ] - [ -0.0156558200000000, -0.0101442700000000, 0.0021071800000000 ] - [ -0.0154845300000000, -0.0102833800000000, 0.0008508300000000 ] - [ -0.0151046800000000, -0.0102665600000000, 0.0010621900000000 ] - [ -0.0002603400000000, 0.0143857600000000, 0.0055645600000000 ] - [ -0.0002355000000000, 0.0139745400000000, 0.0073715900000000 ] - [ -0.0007400700000000, 0.0143001600000000, 0.0058326400000000 ] - [ -0.0004102400000000, 0.0141825900000000, 0.0059148600000000 ] - [ 0.0008793300000000, 0.0118256200000000, -0.0106044500000000 ] - [ 0.0249038200000000, 0.0212121300000000, 0.0017708600000000 ] - [ 0.0008830900000000, 0.0140885200000000, -0.0063014000000000 ] - [ 0.0007353800000000, 0.0144548700000000, -0.0055570500000000 ] - [ 0.0002844800000000, -0.0141609300000000, -0.0066334400000000 ] - [ 0.0011265700000000, -0.0145000000000000, -0.0057461900000000 ] - [ -0.0003619400000000, -0.0158563100000000, -0.0065974100000000 ] - [ 0.0014548300000000, -0.0138589700000000, -0.0052812900000000 ] - [ -0.0006839800000000, -0.0140828400000000, 0.0060534500000000 ] - [ -0.0007188400000000, -0.0143439100000000, 0.0053519600000000 ] - [ -0.0043651300000000, -0.0132954800000000, 0.0049795600000000 ] - [ -0.0015118700000000, -0.0140385200000000, 0.0056865300000000 ] - [ -0.0004105700000000, 0.0016760400000000, 0.0012544700000000 ] - [ -0.0004132100000000, 0.0025194000000000, 0.0000772900000000 ] - [ -0.0007617600000000, 0.0038136000000000, 0.0022647300000000 ] - [ 0.0001206800000000, 0.0017184200000000, 0.0047130000000000 ] - [ 0.0006939600000000, 0.0027725500000000, -0.0006801200000000 ] - [ -0.0001386900000000, 0.0018146900000000, -0.0010079400000000 ] - [ 0.0024666100000000, 0.0042196600000000, -0.0022895900000000 ] - [ 0.0003092100000000, 0.0021513800000000, -0.0006586000000000 ] - [ 0.0002945500000000, -0.0023922400000000, -0.0003754200000000 ] - [ 0.0005609600000000, -0.0017996100000000, -0.0006415400000000 ] - [ 0.0003789000000000, -0.0022573400000000, -0.0006719800000000 ] - [ 0.0003767900000000, -0.0022068900000000, -0.0006915900000000 ] - [ 0.0299512100000000, -0.0128644600000000, -0.0146215800000000 ] - [ -0.0001661500000000, 0.0027760400000000, 0.0036745400000000 ] - [ -0.0001865300000000, -0.0019157500000000, 0.0009815200000000 ] - [ -0.0008597300000000, -0.0037218100000000, 0.0001367900000000 ] - [ -0.0074174000000000, 0.0124402100000000, -0.0204441500000000 ] - [ -0.0081094500000000, 0.0121766400000000, -0.0203883800000000 ] - [ -0.0077765900000000, 0.0123509900000000, -0.0204069900000000 ] - [ -0.0079670600000000, 0.0126537200000000, -0.0200992800000000 ] - [ 0.0074767400000000, 0.0132839900000000, 0.0200099300000000 ] - [ 0.0091662300000000, 0.0118085300000000, 0.0202309000000000 ] - [ 0.0088723300000000, 0.0098080000000000, 0.0216519400000000 ] - [ 0.0107012800000000, 0.0097385200000000, 0.0185377500000000 ] - [ 0.0066640400000000, -0.0129489700000000, 0.0201688900000000 ] - [ 0.0089376600000000, -0.0129354500000000, 0.0232183000000000 ] - [ 0.0081156500000000, -0.0125786200000000, 0.0202158300000000 ] - [ 0.0077108900000000, -0.0122376600000000, 0.0203947400000000 ] - [ -0.0064753200000000, -0.0123163500000000, -0.0197509700000000 ] - [ -0.0082312000000000, -0.0121530500000000, -0.0209497800000000 ] - [ -0.0078059500000000, -0.0122899400000000, -0.0202405200000000 ] - [ -0.0082910200000000, -0.0121834900000000, -0.0206522700000000 ] - [ -0.0062150300000000, -0.0053028000000000, -0.0221747800000000 ] - [ -0.0073482900000000, -0.0052820700000000, -0.0224784300000000 ] - [ 0.0237503100000000, -0.0180411100000000, -0.0110436000000000 ] - [ -0.0091697500000000, -0.0058195600000000, -0.0222409200000000 ] - [ 0.0057750200000000, -0.0056614300000000, 0.0218363700000000 ] - [ 0.0074237100000000, -0.0049640100000000, 0.0220749000000000 ] - [ 0.0063206300000000, -0.0058336500000000, 0.0217506200000000 ] - [ 0.0066348200000000, -0.0051767900000000, 0.0223595500000000 ] - [ 0.0072063800000000, 0.0047219300000000, 0.0247721500000000 ] - [ 0.0087037000000000, 0.0051205100000000, 0.0238680200000000 ] - [ 0.0065985300000000, 0.0053849200000000, 0.0221252500000000 ] - [ 0.0069186000000000, 0.0051543600000000, 0.0222431300000000 ] - [ -0.0057588800000000, 0.0050078900000000, -0.0216476700000000 ] - [ -0.0064394900000000, 0.0043503800000000, -0.0237911000000000 ] - [ -0.0064728800000000, 0.0050827800000000, -0.0223938100000000 ] - [ -0.0071503700000000, 0.0051001600000000, -0.0222476400000000 ] - [ 0.0152811100000000, 0.0092891600000000, -0.0016321700000000 ] - [ 0.0157870000000000, 0.0105145900000000, -0.0005845700000000 ] - [ 0.0145514400000000, 0.0142540900000000, 0.0010934100000000 ] - [ 0.0425304600000000, 0.0078328400000000, -0.0047953400000000 ] - [ -0.0151483600000000, 0.0100012500000000, 0.0008886400000000 ] - [ -0.0152825100000000, 0.0105471800000000, 0.0005419200000000 ] - [ -0.0154921800000000, 0.0101326800000000, 0.0008895000000000 ] - [ -0.0152214600000000, 0.0106734600000000, 0.0004911900000000 ] - [ -0.1855052300000000, 0.0059381600000000, -0.0082175100000000 ] - [ 0.0178923300000000, -0.0035427500000000, 0.0084829600000000 ] - [ 0.0123733400000000, -0.0038450100000000, 0.0091188900000000 ] - [ 0.0136338000000000, -0.0026782200000000, 0.0086634900000000 ] - [ -0.0117785400000000, -0.0036957200000000, -0.0091413400000000 ] - [ -0.0128005600000000, -0.0038379400000000, -0.0088597600000000 ] - [ -0.0128485400000000, -0.0032621000000000, -0.0091990800000000 ] - [ -0.0124065500000000, -0.0034518600000000, -0.0090990500000000 ] - [ -0.0131184500000000, 0.0034710400000000, -0.0086215500000000 ] - [ -0.0124114800000000, 0.0036488000000000, -0.0088515800000000 ] - [ -0.0105671100000000, 0.0001068500000000, -0.0084971700000000 ] - [ -0.0124233900000000, 0.0040636300000000, -0.0092517400000000 ] - [ 0.0095723000000000, 0.0063486100000000, 0.0059932200000000 ] - [ 0.0170274900000000, 0.0032834800000000, 0.0114693400000000 ] - [ 0.0095439400000000, 0.0054512200000000, 0.0099304200000000 ] - [ 0.0170258500000000, 0.0035056400000000, 0.0109431000000000 ] - [ 0.0070943400000000, -0.0022926200000000, 0.0004766500000000 ] - [ -0.0011181200000000, 0.0034476800000000, -0.0007631500000000 ] - [ 0.0018993000000000, -0.0008842800000000, 0.0034144200000000 ] - [ -0.0000367300000000, 0.0006841000000000, -0.0003265300000000 ] - [ 0.0037246700000000, 0.0002346700000000, -0.0014041600000000 ] - [ -0.0005847300000000, -0.0003962800000000, -0.0009951300000000 ] - [ 0.0000123300000000, 0.0001555500000000, 0.0004008100000000 ] - [ -0.0000893300000000, 0.0000326200000000, -0.0001409900000000 ]- atom: 97 displacement: [ -0.0099999991596329, 0.0000000000000000, -0.0000040996757033 ] forces: - [ -0.0375758900000000, -0.0042163800000000, -0.0296300900000000 ] - [ 0.0011578500000000, 0.0119904200000000, -0.0130223400000000 ] - [ 0.0008892400000000, 0.0095876700000000, -0.0183815800000000 ] - [ 0.0010684100000000, 0.0096569500000000, -0.0184806300000000 ] - [ -0.0002729100000000, 0.0092417300000000, 0.0183945500000000 ] - [ -0.0012609000000000, 0.0097277900000000, 0.0185548900000000 ] - [ -0.0000918300000000, 0.0094016900000000, 0.0187735600000000 ] - [ -0.0011665200000000, 0.0099947200000000, 0.0181814900000000 ] - [ -0.0008541700000000, -0.0097396200000000, 0.0184615700000000 ] - [ -0.0011033600000000, -0.0097813600000000, 0.0184086100000000 ] - [ -0.0011946100000000, -0.0103467800000000, 0.0182854400000000 ] - [ -0.0007554600000000, -0.0095604000000000, 0.0185435000000000 ] - [ -0.0008494200000000, -0.0072392700000000, -0.0164594500000000 ] - [ -0.0003931400000000, -0.0062581100000000, -0.0206199900000000 ] - [ -0.0004036600000000, -0.0093843800000000, -0.0184056000000000 ] - [ 0.0012743900000000, -0.0122252300000000, -0.0180365400000000 ] - [ 0.0177135800000000, -0.0103739800000000, -0.0012381500000000 ] - [ -0.0065251900000000, -0.0092643900000000, -0.0040108600000000 ] - [ 0.0162186500000000, -0.0104450700000000, -0.0004157800000000 ] - [ 0.0147551100000000, -0.0102819500000000, -0.0011220900000000 ] - [ -0.0155962300000000, -0.0102420700000000, 0.0011050100000000 ] - [ -0.0149713000000000, -0.0103876200000000, -0.0003650600000000 ] - [ -0.0151476800000000, -0.0102538200000000, 0.0008926900000000 ] - [ -0.0155245500000000, -0.0102652200000000, 0.0006819200000000 ] - [ -0.0010939300000000, 0.0142084000000000, 0.0060684900000000 ] - [ -0.0011154000000000, 0.0146256500000000, 0.0042440400000000 ] - [ -0.0006135400000000, 0.0142951700000000, 0.0057919500000000 ] - [ -0.0009455700000000, 0.0144110800000000, 0.0057040400000000 ] - [ 0.0003942400000000, 0.0167667300000000, -0.0009641700000000 ] - [ -0.0228279700000000, 0.0080231400000000, -0.0130780200000000 ] - [ 0.0004723700000000, 0.0145048300000000, -0.0053312300000000 ] - [ 0.0006124000000000, 0.0141414300000000, -0.0060621100000000 ] - [ 0.0010662400000000, -0.0144430200000000, -0.0050010700000000 ] - [ 0.0002342400000000, -0.0141039900000000, -0.0058749900000000 ] - [ 0.0016652000000000, -0.0127059500000000, -0.0049981600000000 ] - [ -0.0000878500000000, -0.0147478000000000, -0.0063451800000000 ] - [ -0.0006751400000000, -0.0144980500000000, 0.0055893800000000 ] - [ -0.0006357500000000, -0.0142757800000000, 0.0062665200000000 ] - [ 0.0030908700000000, -0.0153039200000000, 0.0066303800000000 ] - [ 0.0001543500000000, -0.0145580900000000, 0.0059433700000000 ] - [ -0.0005063100000000, 0.0028879400000000, 0.0002677500000000 ] - [ -0.0005070300000000, 0.0020603600000000, 0.0014332800000000 ] - [ -0.0000666100000000, 0.0007546900000000, -0.0007278000000000 ] - [ -0.0009921500000000, 0.0028417200000000, -0.0031718200000000 ] - [ 0.0002274800000000, 0.0018018900000000, -0.0008565100000000 ] - [ 0.0010684900000000, 0.0027779200000000, -0.0004884000000000 ] - [ -0.0015862500000000, 0.0003518600000000, 0.0007820800000000 ] - [ 0.0006128900000000, 0.0024192100000000, -0.0008580200000000 ] - [ 0.0006253700000000, -0.0021655700000000, -0.0011448500000000 ] - [ 0.0003622500000000, -0.0027765900000000, -0.0008694400000000 ] - [ 0.0005355700000000, -0.0023208700000000, -0.0008433400000000 ] - [ 0.0005481900000000, -0.0023710100000000, -0.0008248000000000 ] - [ -0.0317606600000000, 0.0087266100000000, 0.0169603000000000 ] - [ -0.0006587700000000, -0.0072845600000000, -0.0021660000000000 ] - [ -0.0007193900000000, -0.0026575900000000, 0.0005302700000000 ] - [ -0.0000574600000000, -0.0008661500000000, 0.0013761200000000 ] - [ -0.0082571200000000, 0.0122893100000000, -0.0202665700000000 ] - [ -0.0075600400000000, 0.0125540100000000, -0.0203215300000000 ] - [ -0.0078884500000000, 0.0123657400000000, -0.0203089300000000 ] - [ -0.0076995900000000, 0.0120911200000000, -0.0206094800000000 ] - [ 0.0081712300000000, 0.0114428400000000, 0.0207146400000000 ] - [ 0.0065253300000000, 0.0129272400000000, 0.0205024600000000 ] - [ 0.0067836300000000, 0.0149213800000000, 0.0189910800000000 ] - [ 0.0050020700000000, 0.0149743500000000, 0.0221124300000000 ] - [ 0.0089583800000000, -0.0118423900000000, 0.0205066200000000 ] - [ 0.0067047400000000, -0.0117950800000000, 0.0174370000000000 ] - [ 0.0075641500000000, -0.0121477300000000, 0.0204896000000000 ] - [ 0.0079561100000000, -0.0124997600000000, 0.0203128200000000 ] - [ -0.0092222600000000, -0.0123824600000000, -0.0209668500000000 ] - [ -0.0074138400000000, -0.0125803400000000, -0.0197759400000000 ] - [ -0.0078669200000000, -0.0124472300000000, -0.0204684700000000 ] - [ -0.0073820500000000, -0.0125476500000000, -0.0200529600000000 ] - [ -0.0072616000000000, -0.0052940700000000, -0.0222365500000000 ] - [ -0.0061293100000000, -0.0052913000000000, -0.0219359200000000 ] - [ -0.0375063600000000, 0.0078876600000000, -0.0336563500000000 ] - [ -0.0043381600000000, -0.0047883200000000, -0.0221405000000000 ] - [ 0.0077110800000000, -0.0049127600000000, 0.0225862800000000 ] - [ 0.0060578700000000, -0.0056174600000000, 0.0223376200000000 ] - [ 0.0071826900000000, -0.0047395100000000, 0.0226660900000000 ] - [ 0.0068404300000000, -0.0054063100000000, 0.0220506200000000 ] - [ 0.0062548200000000, 0.0059475200000000, 0.0196297500000000 ] - [ 0.0048220400000000, 0.0054942600000000, 0.0205721400000000 ] - [ 0.0068839000000000, 0.0052018800000000, 0.0222940800000000 ] - [ 0.0065550400000000, 0.0054238000000000, 0.0221726600000000 ] - [ -0.0077512200000000, 0.0055514300000000, -0.0227846700000000 ] - [ -0.0070264400000000, 0.0062064600000000, -0.0205941500000000 ] - [ -0.0069976200000000, 0.0054853400000000, -0.0220396600000000 ] - [ -0.0063231300000000, 0.0054708400000000, -0.0221666600000000 ] - [ 0.0153452800000000, 0.0112592400000000, -0.0001068400000000 ] - [ 0.0148330400000000, 0.0100235100000000, -0.0011511100000000 ] - [ 0.0159883600000000, 0.0061909500000000, -0.0028690700000000 ] - [ -0.0111794800000000, 0.0124831800000000, 0.0023074200000000 ] - [ -0.0154857400000000, 0.0105394300000000, 0.0008574600000000 ] - [ -0.0153526500000000, 0.0099885800000000, 0.0012137800000000 ] - [ -0.0151436200000000, 0.0104061500000000, 0.0008527500000000 ] - [ -0.0154216800000000, 0.0098511200000000, 0.0012557700000000 ] - [ 0.2118507600000000, -0.0130057000000000, 0.0262095300000000 ] - [ 0.0073759600000000, -0.0035947100000000, 0.0092692800000000 ] - [ 0.0128875400000000, -0.0032991000000000, 0.0086480800000000 ] - [ 0.0116358600000000, -0.0044703800000000, 0.0090913900000000 ] - [ -0.0134942200000000, -0.0034632200000000, -0.0086194100000000 ] - [ -0.0124619000000000, -0.0033086900000000, -0.0088949000000000 ] - [ -0.0124239700000000, -0.0038745200000000, -0.0085702500000000 ] - [ -0.0128579600000000, -0.0036961100000000, -0.0086704000000000 ] - [ -0.0121429600000000, 0.0036782000000000, -0.0091364500000000 ] - [ -0.0128469100000000, 0.0034719400000000, -0.0089362300000000 ] - [ -0.0147045000000000, 0.0070489900000000, -0.0092553600000000 ] - [ -0.0128554600000000, 0.0030692400000000, -0.0085148300000000 ] - [ 0.0156909800000000, 0.0008228700000000, 0.0117652200000000 ] - [ 0.0082324600000000, 0.0038799700000000, 0.0063180200000000 ] - [ 0.0156702800000000, 0.0017291300000000, 0.0078841000000000 ] - [ 0.0082186900000000, 0.0036699900000000, 0.0067607300000000 ] - [ -0.0070958000000000, 0.0023263800000000, -0.0004322000000000 ] - [ 0.0011156300000000, -0.0036327500000000, 0.0005494400000000 ] - [ -0.0018842100000000, 0.0008845100000000, -0.0034123300000000 ] - [ 0.0000204000000000, -0.0006721600000000, 0.0003312800000000 ] - [ -0.0037374200000000, -0.0003198600000000, 0.0013984300000000 ] - [ 0.0005889300000000, 0.0003995100000000, 0.0009968200000000 ] - [ -0.0000100800000000, -0.0001629400000000, -0.0003976000000000 ] - [ 0.0000842400000000, -0.0000205700000000, 0.0001296300000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0152238000000000, 0.0450969300000000, -0.0063657000000000 ] - [ 0.0000526400000000, 0.0118700300000000, -0.0158384600000000 ] - [ 0.0011647100000000, 0.0101641000000000, -0.0182919900000000 ] - [ 0.0006136700000000, 0.0099971700000000, -0.0182229200000000 ] - [ -0.0007363800000000, 0.0090405300000000, 0.0183440700000000 ] - [ -0.0007059100000000, 0.0088925000000000, 0.0188184300000000 ] - [ -0.0020168400000000, 0.0087366800000000, 0.0185993800000000 ] - [ -0.0010688700000000, 0.0098405300000000, 0.0182698600000000 ] - [ -0.0009935000000000, -0.0101002200000000, 0.0181979200000000 ] - [ -0.0012506200000000, -0.0098659000000000, 0.0183282000000000 ] - [ -0.0011370900000000, -0.0107596900000000, 0.0180756800000000 ] - [ -0.0007610200000000, -0.0099852900000000, 0.0186144000000000 ] - [ 0.0014653700000000, -0.0125722100000000, -0.0202261900000000 ] - [ 0.0010596200000000, -0.0118938400000000, -0.0179049400000000 ] - [ -0.0008992600000000, -0.0084116300000000, -0.0199017800000000 ] - [ 0.0013872200000000, -0.0072761200000000, -0.0196346900000000 ] - [ 0.0151857300000000, -0.0088197500000000, -0.0005332900000000 ] - [ 0.0159846700000000, 0.0144180800000000, -0.0074092000000000 ] - [ 0.0157782800000000, -0.0101245300000000, -0.0013173400000000 ] - [ 0.0162085400000000, -0.0099324300000000, -0.0014387100000000 ] - [ -0.0156099000000000, -0.0108704500000000, 0.0007362100000000 ] - [ -0.0152629600000000, -0.0111154800000000, 0.0009601900000000 ] - [ -0.0150758600000000, -0.0104379400000000, 0.0006797200000000 ] - [ -0.0150969800000000, -0.0104402100000000, 0.0008778400000000 ] - [ -0.0007503000000000, 0.0136912900000000, 0.0059860200000000 ] - [ -0.0014584800000000, 0.0142024200000000, 0.0041549500000000 ] - [ -0.0003666500000000, 0.0138787700000000, 0.0058624800000000 ] - [ -0.0011539400000000, 0.0141625700000000, 0.0057823800000000 ] - [ 0.0007360000000000, 0.0179553800000000, -0.0029735100000000 ] - [ 0.0070212500000000, 0.0452594700000000, 0.0031790200000000 ] - [ 0.0005032200000000, 0.0146322200000000, -0.0053737600000000 ] - [ 0.0007084800000000, 0.0144194200000000, -0.0054796200000000 ] - [ 0.0006963300000000, -0.0142531800000000, -0.0059435000000000 ] - [ 0.0010360400000000, -0.0143787600000000, -0.0055894300000000 ] - [ -0.0023242600000000, -0.0121020000000000, -0.0055211800000000 ] - [ 0.0010412100000000, -0.0157144700000000, -0.0063796200000000 ] - [ -0.0005575200000000, -0.0147044100000000, 0.0049987100000000 ] - [ -0.0007613800000000, -0.0142049300000000, 0.0055759500000000 ] - [ -0.0061569900000000, -0.0146177300000000, 0.0058410100000000 ] - [ 0.0003434200000000, -0.0142791400000000, 0.0060023800000000 ] - [ 0.0000134600000000, 0.0018897700000000, 0.0011866000000000 ] - [ -0.0005608300000000, 0.0023765500000000, 0.0010806800000000 ] - [ 0.0050396700000000, 0.0051144200000000, 0.0032848600000000 ] - [ -0.0015896800000000, 0.0026425400000000, -0.0014851800000000 ] - [ 0.0005098700000000, 0.0018111800000000, -0.0006195700000000 ] - [ -0.0000622600000000, 0.0017118300000000, -0.0014495300000000 ] - [ 0.0029662900000000, 0.0032644000000000, 0.0002266800000000 ] - [ 0.0001571800000000, 0.0021297700000000, -0.0003908200000000 ] - [ 0.0004742500000000, -0.0029419900000000, -0.0006415000000000 ] - [ 0.0001564800000000, -0.0036574900000000, -0.0012727000000000 ] - [ 0.0003924200000000, -0.0023984700000000, -0.0008850900000000 ] - [ 0.0005307500000000, -0.0024946200000000, -0.0007064800000000 ] - [ -0.0114752700000000, 0.0268004700000000, 0.0123988800000000 ] - [ -0.0004417100000000, -0.0027060300000000, -0.0003586400000000 ] - [ -0.0003251400000000, -0.0019398400000000, 0.0007459200000000 ] - [ -0.0003716300000000, -0.0032101200000000, 0.0002950500000000 ] - [ -0.0072527600000000, 0.0121461800000000, -0.0203305500000000 ] - [ -0.0073818300000000, 0.0122762200000000, -0.0203188400000000 ] - [ -0.0076530300000000, 0.0110984200000000, -0.0204068100000000 ] - [ -0.0083176400000000, 0.0114228800000000, -0.0208340800000000 ] - [ 0.0081694600000000, 0.0143039600000000, 0.0189687200000000 ] - [ 0.0057305000000000, 0.0135381400000000, 0.0180849200000000 ] - [ 0.0091697000000000, 0.0122381800000000, 0.0207894300000000 ] - [ 0.0103743100000000, 0.0086018600000000, 0.0192594800000000 ] - [ 0.0062955100000000, -0.0124557200000000, 0.0198240100000000 ] - [ 0.0062442900000000, -0.0108001000000000, 0.0152653700000000 ] - [ 0.0074576800000000, -0.0121624200000000, 0.0201461000000000 ] - [ 0.0078616000000000, -0.0123716800000000, 0.0205020900000000 ] - [ -0.0075265800000000, -0.0153530000000000, -0.0206925500000000 ] - [ -0.0079201300000000, -0.0124175100000000, -0.0225408000000000 ] - [ -0.0078456400000000, -0.0122472300000000, -0.0200131200000000 ] - [ -0.0076657100000000, -0.0125164600000000, -0.0199462800000000 ] - [ -0.0064049100000000, -0.0043358100000000, -0.0223354700000000 ] - [ -0.0064062400000000, -0.0049386000000000, -0.0220741000000000 ] - [ -0.0208422700000000, 0.0434791300000000, -0.0449699800000000 ] - [ -0.0070991200000000, -0.0043940600000000, -0.0221285000000000 ] - [ 0.0066301100000000, -0.0054267600000000, 0.0219738500000000 ] - [ 0.0061681500000000, -0.0060693600000000, 0.0222957400000000 ] - [ 0.0085481900000000, -0.0051092300000000, 0.0230094000000000 ] - [ 0.0067641800000000, -0.0056113800000000, 0.0219825000000000 ] - [ 0.0061378000000000, 0.0053140200000000, 0.0179164200000000 ] - [ 0.0082729500000000, 0.0065596800000000, 0.0256550500000000 ] - [ 0.0064763800000000, 0.0048594400000000, 0.0221209200000000 ] - [ 0.0064487000000000, 0.0051197600000000, 0.0217808400000000 ] - [ -0.0065137800000000, 0.0043650500000000, -0.0214382200000000 ] - [ -0.0073358000000000, 0.0076035700000000, -0.0182682600000000 ] - [ -0.0061702500000000, 0.0051760800000000, -0.0233591400000000 ] - [ -0.0069002300000000, 0.0052505400000000, -0.0226009200000000 ] - [ 0.0156126800000000, 0.0099217800000000, -0.0012643700000000 ] - [ 0.0161487100000000, 0.0106923000000000, -0.0003067100000000 ] - [ 0.0151017100000000, 0.0096262400000000, -0.0024356000000000 ] - [ 0.0154955200000000, 0.0380216300000000, 0.0025830000000000 ] - [ -0.0153585100000000, 0.0099452200000000, 0.0009846500000000 ] - [ -0.0154601300000000, 0.0096594600000000, 0.0008078900000000 ] - [ -0.0152770600000000, 0.0098842500000000, 0.0009772700000000 ] - [ -0.0150674300000000, 0.0093493900000000, 0.0013918400000000 ] - [ 0.0227420500000000, -0.2169210100000000, -0.0021593900000000 ] - [ 0.0126626500000000, -0.0068717500000000, 0.0077802900000000 ] - [ 0.0123593600000000, -0.0044491300000000, 0.0089339900000000 ] - [ 0.0135350000000000, -0.0034493500000000, 0.0082935700000000 ] - [ -0.0125087100000000, -0.0009064900000000, -0.0083341600000000 ] - [ -0.0123689000000000, -0.0017930300000000, -0.0089903900000000 ] - [ -0.0129308700000000, -0.0013123900000000, -0.0090456600000000 ] - [ -0.0127560900000000, -0.0027143600000000, -0.0088363800000000 ] - [ -0.0127413700000000, 0.0046857600000000, -0.0082538700000000 ] - [ -0.0125403500000000, 0.0048695300000000, -0.0078347400000000 ] - [ -0.0161305400000000, 0.0089752500000000, -0.0099911900000000 ] - [ -0.0121386100000000, 0.0060334100000000, -0.0096707200000000 ] - [ 0.0107973100000000, 0.0036300600000000, 0.0065710000000000 ] - [ 0.0127097400000000, 0.0020955400000000, 0.0068302700000000 ] - [ 0.0098782900000000, 0.0036185000000000, 0.0139455000000000 ] - [ 0.0129393400000000, 0.0020933800000000, 0.0106051500000000 ] - [ -0.0023360600000000, -0.0007598600000000, 0.0015964400000000 ] - [ 0.0023305100000000, 0.0063652300000000, 0.0132422100000000 ] - [ -0.0010676500000000, -0.0007188800000000, -0.0013248600000000 ] - [ 0.0006513500000000, -0.0007118100000000, -0.0008649600000000 ] - [ 0.0008886400000000, 0.0032234400000000, 0.0022013200000000 ] - [ -0.0003564800000000, 0.0021145600000000, 0.0006615000000000 ] - [ 0.0003554500000000, 0.0003037100000000, 0.0000632400000000 ] - [ -0.0001624500000000, 0.0005654600000000, -0.0004215100000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0145271800000000, -0.0270239700000000, -0.0308151600000000 ] - [ 0.0018605200000000, 0.0076564900000000, -0.0209809000000000 ] - [ 0.0007306000000000, 0.0093362800000000, -0.0185494000000000 ] - [ 0.0012768000000000, 0.0095044700000000, -0.0186249700000000 ] - [ -0.0011472300000000, 0.0104512500000000, 0.0184831000000000 ] - [ -0.0011855300000000, 0.0106102100000000, 0.0180151900000000 ] - [ 0.0001092300000000, 0.0107770500000000, 0.0182334100000000 ] - [ -0.0008211200000000, 0.0096704400000000, 0.0185653900000000 ] - [ -0.0008995000000000, -0.0094020800000000, 0.0186433800000000 ] - [ -0.0006333500000000, -0.0096382900000000, 0.0185121800000000 ] - [ -0.0007538300000000, -0.0087553700000000, 0.0187633000000000 ] - [ -0.0011268100000000, -0.0095193800000000, 0.0182283400000000 ] - [ 0.0004593500000000, -0.0070138800000000, -0.0166726400000000 ] - [ 0.0008487900000000, -0.0075797800000000, -0.0189260000000000 ] - [ 0.0027829200000000, -0.0110985200000000, -0.0169398200000000 ] - [ 0.0004976400000000, -0.0122581500000000, -0.0172136800000000 ] - [ 0.0154502000000000, -0.0117499900000000, -0.0012100000000000 ] - [ 0.0147731000000000, -0.0358210700000000, 0.0064422900000000 ] - [ 0.0148575800000000, -0.0104170800000000, -0.0004349800000000 ] - [ 0.0144232300000000, -0.0106061800000000, -0.0003144400000000 ] - [ -0.0150302200000000, -0.0096655800000000, 0.0010130100000000 ] - [ -0.0153617500000000, -0.0094101800000000, 0.0008012000000000 ] - [ -0.0155567000000000, -0.0100960700000000, 0.0010673500000000 ] - [ -0.0155404700000000, -0.0100928200000000, 0.0008734100000000 ] - [ -0.0006043900000000, 0.0149150500000000, 0.0056374400000000 ] - [ 0.0001206700000000, 0.0143851600000000, 0.0075060200000000 ] - [ -0.0009863600000000, 0.0147194000000000, 0.0057616100000000 ] - [ -0.0001883000000000, 0.0144287500000000, 0.0058500700000000 ] - [ 0.0005877300000000, 0.0106748900000000, -0.0086539600000000 ] - [ -0.0049366400000000, -0.0154203400000000, -0.0143429100000000 ] - [ 0.0008569400000000, 0.0139717300000000, -0.0062578200000000 ] - [ 0.0006388800000000, 0.0141795500000000, -0.0061488500000000 ] - [ 0.0006593900000000, -0.0143483400000000, -0.0056834500000000 ] - [ 0.0003133000000000, -0.0142222400000000, -0.0060305900000000 ] - [ 0.0036919300000000, -0.0165483300000000, -0.0061217100000000 ] - [ 0.0003023100000000, -0.0128820600000000, -0.0052410400000000 ] - [ -0.0008061900000000, -0.0138929900000000, 0.0066302500000000 ] - [ -0.0005936100000000, -0.0143935900000000, 0.0060517300000000 ] - [ 0.0047423600000000, -0.0139344400000000, 0.0056974300000000 ] - [ -0.0016985900000000, -0.0143135800000000, 0.0056312300000000 ] - [ -0.0009424600000000, 0.0026775000000000, 0.0003360200000000 ] - [ -0.0003593200000000, 0.0021994300000000, 0.0004321400000000 ] - [ -0.0060016400000000, -0.0005931300000000, -0.0017799800000000 ] - [ 0.0006834200000000, 0.0019246400000000, 0.0029858300000000 ] - [ 0.0004207600000000, 0.0027695800000000, -0.0008909500000000 ] - [ 0.0009671300000000, 0.0028712500000000, -0.0000690600000000 ] - [ -0.0020050100000000, 0.0013517700000000, -0.0017477800000000 ] - [ 0.0007581800000000, 0.0024431100000000, -0.0011237300000000 ] - [ 0.0004415600000000, -0.0016211000000000, -0.0008768500000000 ] - [ 0.0007648700000000, -0.0008993500000000, -0.0002426500000000 ] - [ 0.0005228500000000, -0.0021806700000000, -0.0006200400000000 ] - [ 0.0003903700000000, -0.0020777100000000, -0.0008089000000000 ] - [ 0.0101326600000000, -0.0310722800000000, -0.0104970300000000 ] - [ -0.0004675600000000, -0.0018967900000000, 0.0018519600000000 ] - [ -0.0005919300000000, -0.0026281300000000, 0.0007697500000000 ] - [ -0.0005553100000000, -0.0013514600000000, 0.0012295100000000 ] - [ -0.0084203100000000, 0.0125885200000000, -0.0203812100000000 ] - [ -0.0082989400000000, 0.0124555800000000, -0.0203926900000000 ] - [ -0.0080225700000000, 0.0136468100000000, -0.0203056200000000 ] - [ -0.0073434000000000, 0.0133100100000000, -0.0198767900000000 ] - [ 0.0074993300000000, 0.0104603100000000, 0.0217432900000000 ] - [ 0.0099466000000000, 0.0112016200000000, 0.0226186400000000 ] - [ 0.0065040400000000, 0.0124259000000000, 0.0199145400000000 ] - [ 0.0052408400000000, 0.0161977900000000, 0.0214605500000000 ] - [ 0.0093208500000000, -0.0123110500000000, 0.0208342200000000 ] - [ 0.0093699400000000, -0.0138985200000000, 0.0254486800000000 ] - [ 0.0082172000000000, -0.0125709300000000, 0.0205639600000000 ] - [ 0.0078097400000000, -0.0123592100000000, 0.0202049000000000 ] - [ -0.0081465800000000, -0.0093516300000000, -0.0200250000000000 ] - [ -0.0077345800000000, -0.0122880900000000, -0.0182324000000000 ] - [ -0.0078278200000000, -0.0124823100000000, -0.0206903200000000 ] - [ -0.0080112000000000, -0.0122027200000000, -0.0207724900000000 ] - [ -0.0070593400000000, -0.0062358600000000, -0.0220822400000000 ] - [ -0.0070791300000000, -0.0056331500000000, -0.0223442100000000 ] - [ 0.0066536900000000, -0.0521318500000000, -0.0006909900000000 ] - [ -0.0063830000000000, -0.0061590900000000, -0.0222850600000000 ] - [ 0.0068355800000000, -0.0051497300000000, 0.0224351800000000 ] - [ 0.0073203100000000, -0.0044994400000000, 0.0221158700000000 ] - [ 0.0048946800000000, -0.0054820800000000, 0.0213819800000000 ] - [ 0.0067149300000000, -0.0049715900000000, 0.0224304200000000 ] - [ 0.0072627900000000, 0.0053481300000000, 0.0263912300000000 ] - [ 0.0052885500000000, 0.0040888800000000, 0.0188425800000000 ] - [ 0.0069988800000000, 0.0057189300000000, 0.0222938600000000 ] - [ 0.0070284100000000, 0.0054581800000000, 0.0226318400000000 ] - [ -0.0069560100000000, 0.0062246300000000, -0.0229955000000000 ] - [ -0.0060922400000000, 0.0029120700000000, -0.0261641000000000 ] - [ -0.0073132300000000, 0.0053941600000000, -0.0210539900000000 ] - [ -0.0065752100000000, 0.0053188500000000, -0.0218212800000000 ] - [ 0.0150301700000000, 0.0106062500000000, -0.0004910300000000 ] - [ 0.0144811600000000, 0.0098408900000000, -0.0014393600000000 ] - [ 0.0155120300000000, 0.0109628400000000, 0.0006947200000000 ] - [ 0.0154107900000000, -0.0178231300000000, -0.0047184200000000 ] - [ -0.0152741600000000, 0.0105897500000000, 0.0007609900000000 ] - [ -0.0151695000000000, 0.0108809300000000, 0.0009304000000000 ] - [ -0.0153611400000000, 0.0106537200000000, 0.0007637500000000 ] - [ -0.0155649200000000, 0.0111893500000000, 0.0003475000000000 ] - [ 0.0037905200000000, 0.2088434800000000, 0.0205901300000000 ] - [ 0.0126107300000000, -0.0003004400000000, 0.0099808000000000 ] - [ 0.0129102400000000, -0.0026921500000000, 0.0088294000000000 ] - [ 0.0117394000000000, -0.0036996900000000, 0.0094675800000000 ] - [ -0.0127396300000000, -0.0062518200000000, -0.0094319400000000 ] - [ -0.0128930500000000, -0.0053528700000000, -0.0087714200000000 ] - [ -0.0123257200000000, -0.0058372500000000, -0.0087491900000000 ] - [ -0.0125149700000000, -0.0044315400000000, -0.0089335000000000 ] - [ -0.0125310600000000, 0.0024588600000000, -0.0095132900000000 ] - [ -0.0127201400000000, 0.0022667700000000, -0.0099330200000000 ] - [ -0.0091929500000000, -0.0017767400000000, -0.0077593900000000 ] - [ -0.0131407500000000, 0.0010876400000000, -0.0080857000000000 ] - [ 0.0145174200000000, 0.0035505900000000, 0.0112337700000000 ] - [ 0.0125357700000000, 0.0050694300000000, 0.0109492000000000 ] - [ 0.0154082600000000, 0.0035401800000000, 0.0037440300000000 ] - [ 0.0123590000000000, 0.0050822700000000, 0.0071817600000000 ] - [ 0.0023179100000000, 0.0007372600000000, -0.0015885700000000 ] - [ -0.0022618300000000, -0.0064668100000000, -0.0131532200000000 ] - [ 0.0010927000000000, 0.0007075200000000, 0.0013591800000000 ] - [ -0.0006364200000000, 0.0006982200000000, 0.0008618500000000 ] - [ -0.0009463700000000, -0.0032514800000000, -0.0021995900000000 ] - [ 0.0003647200000000, -0.0021395600000000, -0.0006731200000000 ] - [ -0.0003602200000000, -0.0003011500000000, -0.0000657800000000 ] - [ 0.0001649300000000, -0.0005575900000000, 0.0004203700000000 ]- atom: 97 displacement: [ -0.0019892822674104, 0.0000000000000000, 0.0098001406143262 ] forces: - [ 0.0011181200000000, 0.0153200500000000, 0.0074095900000000 ] - [ -0.0006827900000000, 0.0113152800000000, -0.0174348500000000 ] - [ 0.0006774900000000, 0.0092418800000000, -0.0188189900000000 ] - [ 0.0005604900000000, 0.0094937900000000, -0.0187016800000000 ] - [ -0.0013102400000000, 0.0096948400000000, 0.0183348300000000 ] - [ -0.0012306400000000, 0.0096339200000000, 0.0193333000000000 ] - [ 0.0001227900000000, 0.0094397100000000, 0.0179873600000000 ] - [ -0.0008153200000000, 0.0095267000000000, 0.0183647300000000 ] - [ -0.0008972000000000, -0.0099208900000000, 0.0183714200000000 ] - [ -0.0010556800000000, -0.0098836300000000, 0.0183562400000000 ] - [ -0.0008085000000000, -0.0096273600000000, 0.0185523000000000 ] - [ -0.0009321500000000, -0.0095998300000000, 0.0182712200000000 ] - [ -0.0011627200000000, -0.0056563900000000, -0.0130467200000000 ] - [ 0.0017916600000000, -0.0116639700000000, -0.0165660200000000 ] - [ 0.0001399000000000, -0.0093761300000000, -0.0202393300000000 ] - [ 0.0007566400000000, -0.0109493900000000, -0.0187684900000000 ] - [ 0.0166211400000000, -0.0098771100000000, -0.0000020000000000 ] - [ 0.0122698800000000, -0.0152163000000000, 0.0253484100000000 ] - [ 0.0150333800000000, -0.0105518700000000, -0.0017264200000000 ] - [ 0.0155007700000000, -0.0102141800000000, -0.0016336600000000 ] - [ -0.0159940700000000, -0.0100464100000000, 0.0012830400000000 ] - [ -0.0154476400000000, -0.0102802700000000, 0.0000443200000000 ] - [ -0.0150911900000000, -0.0103154300000000, 0.0005995200000000 ] - [ -0.0149687000000000, -0.0105016100000000, 0.0005039300000000 ] - [ -0.0009493600000000, 0.0141247900000000, 0.0062802100000000 ] - [ -0.0008288600000000, 0.0145412100000000, 0.0052505400000000 ] - [ -0.0002179600000000, 0.0142593700000000, 0.0054792000000000 ] - [ -0.0007362700000000, 0.0146888800000000, 0.0052985200000000 ] - [ 0.0005033700000000, 0.0139217200000000, -0.0057794600000000 ] - [ 0.0047815300000000, 0.0206612100000000, 0.0175626900000000 ] - [ 0.0004604000000000, 0.0143633400000000, -0.0066507700000000 ] - [ 0.0006454200000000, 0.0144136500000000, -0.0062139300000000 ] - [ 0.0006572500000000, -0.0139175500000000, -0.0057308100000000 ] - [ 0.0003982500000000, -0.0135718400000000, -0.0064201000000000 ] - [ -0.0014480100000000, -0.0135086600000000, -0.0032663400000000 ] - [ 0.0010526900000000, -0.0154995400000000, -0.0058062800000000 ] - [ 0.0000774300000000, -0.0152601600000000, 0.0051981500000000 ] - [ -0.0006240600000000, -0.0139466200000000, 0.0058515500000000 ] - [ 0.0041775300000000, -0.0148733200000000, 0.0059916800000000 ] - [ -0.0012515900000000, -0.0138398500000000, 0.0057895500000000 ] - [ -0.0010301700000000, 0.0035519800000000, -0.0003932900000000 ] - [ -0.0003836200000000, 0.0024242900000000, 0.0002227000000000 ] - [ 0.0035263100000000, 0.0036346700000000, 0.0024687100000000 ] - [ -0.0007697800000000, 0.0022988900000000, 0.0003534800000000 ] - [ 0.0004545500000000, 0.0017317600000000, -0.0006497700000000 ] - [ 0.0004283100000000, 0.0012349800000000, -0.0013489600000000 ] - [ -0.0018756200000000, 0.0027291400000000, 0.0003484400000000 ] - [ 0.0008592400000000, 0.0026153500000000, -0.0008896100000000 ] - [ 0.0004666700000000, -0.0020969200000000, -0.0008878500000000 ] - [ 0.0004926900000000, -0.0025265300000000, -0.0004808600000000 ] - [ 0.0005523600000000, -0.0020482700000000, -0.0012020900000000 ] - [ 0.0003927200000000, -0.0020905600000000, -0.0008402800000000 ] - [ -0.0225443100000000, 0.0128676800000000, 0.0472788400000000 ] - [ -0.0012630100000000, -0.0015864400000000, 0.0030836800000000 ] - [ -0.0003647100000000, -0.0022934300000000, 0.0003092000000000 ] - [ -0.0007273300000000, -0.0019233100000000, 0.0002778300000000 ] - [ -0.0077581400000000, 0.0124816200000000, -0.0204776900000000 ] - [ -0.0074950200000000, 0.0125768400000000, -0.0205235600000000 ] - [ -0.0079987900000000, 0.0118894900000000, -0.0200195600000000 ] - [ -0.0078250900000000, 0.0123760700000000, -0.0204653200000000 ] - [ 0.0082348900000000, 0.0091806900000000, 0.0207274300000000 ] - [ 0.0068957100000000, 0.0120311000000000, 0.0189849800000000 ] - [ 0.0093270200000000, 0.0078494300000000, 0.0212687200000000 ] - [ 0.0057479400000000, 0.0145500400000000, 0.0220503600000000 ] - [ 0.0066677000000000, -0.0133148200000000, 0.0159260900000000 ] - [ 0.0089143300000000, -0.0140197300000000, 0.0197727500000000 ] - [ 0.0078603200000000, -0.0116276500000000, 0.0202696300000000 ] - [ 0.0082161200000000, -0.0123401000000000, 0.0202437900000000 ] - [ -0.0060058600000000, -0.0152310200000000, -0.0196106700000000 ] - [ -0.0081966400000000, -0.0140993300000000, -0.0181574100000000 ] - [ -0.0079530400000000, -0.0121931400000000, -0.0208455600000000 ] - [ -0.0083865200000000, -0.0123362700000000, -0.0207514700000000 ] - [ -0.0071018400000000, -0.0047579700000000, -0.0228735100000000 ] - [ -0.0065395300000000, -0.0054968600000000, -0.0230487000000000 ] - [ -0.0022532600000000, -0.0212703300000000, 0.0124239000000000 ] - [ -0.0053383800000000, -0.0049027900000000, -0.0212651400000000 ] - [ 0.0067512300000000, -0.0051248800000000, 0.0224736100000000 ] - [ 0.0064878200000000, -0.0053154600000000, 0.0224868700000000 ] - [ 0.0083560600000000, -0.0043498700000000, 0.0227617700000000 ] - [ 0.0069227900000000, -0.0055739600000000, 0.0221143200000000 ] - [ 0.0052396400000000, 0.0061749600000000, 0.0207744000000000 ] - [ 0.0047367800000000, 0.0035775000000000, 0.0184611400000000 ] - [ 0.0067948600000000, 0.0049813800000000, 0.0219797900000000 ] - [ 0.0068306100000000, 0.0053292900000000, 0.0218275700000000 ] - [ -0.0057645800000000, 0.0071596700000000, -0.0218540300000000 ] - [ -0.0069911100000000, 0.0064085400000000, -0.0213788300000000 ] - [ -0.0065523200000000, 0.0047004700000000, -0.0228439700000000 ] - [ -0.0073484100000000, 0.0047884500000000, -0.0224870600000000 ] - [ 0.0146282700000000, 0.0111555500000000, -0.0008624200000000 ] - [ 0.0157732100000000, 0.0102816100000000, -0.0023271300000000 ] - [ 0.0155486900000000, 0.0118339500000000, 0.0009971700000000 ] - [ 0.0121753500000000, 0.0145515200000000, 0.0208071100000000 ] - [ -0.0150889900000000, 0.0098822500000000, 0.0007909200000000 ] - [ -0.0152861500000000, 0.0101042500000000, 0.0009884900000000 ] - [ -0.0151813100000000, 0.0106174400000000, 0.0007309200000000 ] - [ -0.0158742200000000, 0.0101892300000000, 0.0009858000000000 ] - [ 0.0356999700000000, -0.0170208800000000, -0.1905152900000000 ] - [ 0.0112092500000000, -0.0046633600000000, 0.0052410800000000 ] - [ 0.0129160700000000, -0.0034620200000000, 0.0104966300000000 ] - [ 0.0122223000000000, -0.0043266500000000, 0.0108673800000000 ] - [ -0.0130694600000000, -0.0040886100000000, -0.0091004500000000 ] - [ -0.0125833400000000, -0.0034123100000000, -0.0093240300000000 ] - [ -0.0128972800000000, -0.0034833500000000, -0.0076494300000000 ] - [ -0.0128852200000000, -0.0036443500000000, -0.0085339400000000 ] - [ -0.0122761400000000, 0.0042069900000000, -0.0080311200000000 ] - [ -0.0126363200000000, 0.0045799700000000, -0.0076765200000000 ] - [ -0.0126547100000000, 0.0031555800000000, -0.0100683100000000 ] - [ -0.0130404200000000, 0.0026922700000000, -0.0087014600000000 ] - [ 0.0142558900000000, -0.0020497700000000, 0.0125354900000000 ] - [ 0.0138195100000000, 0.0019437000000000, 0.0100292400000000 ] - [ 0.0104426500000000, 0.0054433000000000, 0.0116901200000000 ] - [ 0.0142821200000000, 0.0055924100000000, 0.0101496300000000 ] - [ 0.0000980700000000, 0.0016643000000000, -0.0006296500000000 ] - [ -0.0020482700000000, 0.0133746400000000, 0.0078721200000000 ] - [ 0.0026953800000000, -0.0003116200000000, 0.0033648400000000 ] - [ -0.0004945600000000, -0.0004721300000000, 0.0008408300000000 ] - [ -0.0031476100000000, -0.0027815300000000, -0.0003173100000000 ] - [ -0.0003493800000000, 0.0004674300000000, -0.0011121900000000 ] - [ -0.0000233200000000, -0.0004396000000000, 0.0010619700000000 ] - [ 0.0001872800000000, -0.0007469100000000, 0.0011482400000000 ]- atom: 97 displacement: [ 0.0019892822674104, 0.0000000000000000, -0.0098001406143262 ] forces: - [ 0.0006431200000000, 0.0041501700000000, -0.0441775600000000 ] - [ 0.0026233600000000, 0.0081839700000000, -0.0193391700000000 ] - [ 0.0012064200000000, 0.0102485100000000, -0.0180354700000000 ] - [ 0.0013316300000000, 0.0100089400000000, -0.0181462300000000 ] - [ -0.0005720300000000, 0.0098032400000000, 0.0185077500000000 ] - [ -0.0006607500000000, 0.0098626200000000, 0.0175123500000000 ] - [ -0.0020168200000000, 0.0100711300000000, 0.0188529200000000 ] - [ -0.0010703700000000, 0.0099709000000000, 0.0184778600000000 ] - [ -0.0009969500000000, -0.0095735000000000, 0.0184719900000000 ] - [ -0.0008300500000000, -0.0096166900000000, 0.0184891800000000 ] - [ -0.0010768000000000, -0.0098690500000000, 0.0182913000000000 ] - [ -0.0009495500000000, -0.0098952600000000, 0.0185748200000000 ] - [ 0.0029206800000000, -0.0137816900000000, -0.0236838600000000 ] - [ 0.0001371100000000, -0.0078954500000000, -0.0202431200000000 ] - [ 0.0017666500000000, -0.0101259400000000, -0.0165936800000000 ] - [ 0.0011590800000000, -0.0084851200000000, -0.0180923000000000 ] - [ 0.0140438300000000, -0.0106431500000000, -0.0017337600000000 ] - [ 0.0185197700000000, -0.0058604100000000, -0.0259744000000000 ] - [ 0.0156155200000000, -0.0099722500000000, -0.0000223100000000 ] - [ 0.0151347600000000, -0.0103268600000000, -0.0001028300000000 ] - [ -0.0146502200000000, -0.0104889400000000, 0.0004656000000000 ] - [ -0.0151877500000000, -0.0102601500000000, 0.0016888900000000 ] - [ -0.0155495800000000, -0.0102238800000000, 0.0011407700000000 ] - [ -0.0156760700000000, -0.0100329900000000, 0.0012373600000000 ] - [ -0.0004159100000000, 0.0144731400000000, 0.0053475300000000 ] - [ -0.0005478100000000, 0.0140685100000000, 0.0063554200000000 ] - [ -0.0011592500000000, 0.0143494100000000, 0.0061474600000000 ] - [ -0.0006193000000000, 0.0139191000000000, 0.0063222200000000 ] - [ 0.0008270000000000, 0.0146674300000000, -0.0058609600000000 ] - [ -0.0030942700000000, 0.0081736700000000, -0.0290875500000000 ] - [ 0.0009002200000000, 0.0142325700000000, -0.0049798300000000 ] - [ 0.0007187300000000, 0.0141879200000000, -0.0054098400000000 ] - [ 0.0007080200000000, -0.0146864900000000, -0.0058875600000000 ] - [ 0.0009626600000000, -0.0150300600000000, -0.0052094000000000 ] - [ 0.0027844200000000, -0.0150971900000000, -0.0083748700000000 ] - [ 0.0002966000000000, -0.0130791100000000, -0.0058284000000000 ] - [ -0.0014162700000000, -0.0133453100000000, 0.0064264500000000 ] - [ -0.0007425000000000, -0.0146501100000000, 0.0057749500000000 ] - [ -0.0055537100000000, -0.0136775100000000, 0.0056063100000000 ] - [ -0.0001127200000000, -0.0147671400000000, 0.0058441300000000 ] - [ 0.0000876800000000, 0.0010390200000000, 0.0019182000000000 ] - [ -0.0005425200000000, 0.0021573000000000, 0.0013016700000000 ] - [ -0.0043958800000000, 0.0009397100000000, -0.0009482900000000 ] - [ -0.0001720500000000, 0.0022643100000000, 0.0011249400000000 ] - [ 0.0004699600000000, 0.0028439500000000, -0.0008821000000000 ] - [ 0.0005165300000000, 0.0033446500000000, -0.0001699800000000 ] - [ 0.0028155100000000, 0.0018547500000000, -0.0019007300000000 ] - [ 0.0000759200000000, 0.0019509800000000, -0.0006436200000000 ] - [ 0.0004734800000000, -0.0024815600000000, -0.0006413600000000 ] - [ 0.0004316100000000, -0.0020613700000000, -0.0010489300000000 ] - [ 0.0003750700000000, -0.0025244900000000, -0.0003297300000000 ] - [ 0.0005415500000000, -0.0024815700000000, -0.0006904400000000 ] - [ 0.0201806800000000, -0.0164920100000000, -0.0439137600000000 ] - [ 0.0003347000000000, -0.0029944600000000, -0.0015457900000000 ] - [ -0.0005697400000000, -0.0022862200000000, 0.0012145700000000 ] - [ -0.0001912200000000, -0.0026835000000000, 0.0012409500000000 ] - [ -0.0079085200000000, 0.0122477400000000, -0.0202370800000000 ] - [ -0.0081659900000000, 0.0121623600000000, -0.0201911000000000 ] - [ -0.0076748800000000, 0.0128385600000000, -0.0206932500000000 ] - [ -0.0078509000000000, 0.0123476600000000, -0.0202599300000000 ] - [ 0.0074318600000000, 0.0154814000000000, 0.0200009900000000 ] - [ 0.0087780300000000, 0.0126894100000000, 0.0217601100000000 ] - [ 0.0063035900000000, 0.0169155800000000, 0.0194166100000000 ] - [ 0.0100182700000000, 0.0101109000000000, 0.0185922900000000 ] - [ 0.0089509200000000, -0.0114610900000000, 0.0247920800000000 ] - [ 0.0067670200000000, -0.0107253900000000, 0.0208421700000000 ] - [ 0.0078110400000000, -0.0131073700000000, 0.0204406700000000 ] - [ 0.0074523300000000, -0.0123785700000000, 0.0204700700000000 ] - [ -0.0096798700000000, -0.0094996400000000, -0.0211023900000000 ] - [ -0.0074774500000000, -0.0106275900000000, -0.0225363500000000 ] - [ -0.0077192800000000, -0.0125403000000000, -0.0198636600000000 ] - [ -0.0072835100000000, -0.0123900500000000, -0.0199657200000000 ] - [ -0.0063831800000000, -0.0058200800000000, -0.0215538500000000 ] - [ -0.0069369000000000, -0.0050922100000000, -0.0213869900000000 ] - [ -0.0115633000000000, 0.0114814200000000, -0.0576101500000000 ] - [ -0.0081392500000000, -0.0056573800000000, -0.0231846700000000 ] - [ 0.0067215800000000, -0.0054387200000000, 0.0219520000000000 ] - [ 0.0069902500000000, -0.0052576700000000, 0.0219347300000000 ] - [ 0.0051349300000000, -0.0062261700000000, 0.0216470800000000 ] - [ 0.0065601400000000, -0.0049967500000000, 0.0223084800000000 ] - [ 0.0082182500000000, 0.0044194800000000, 0.0237013500000000 ] - [ 0.0087108400000000, 0.0069646300000000, 0.0259193600000000 ] - [ 0.0066869300000000, 0.0055871100000000, 0.0224371200000000 ] - [ 0.0066457300000000, 0.0052412000000000, 0.0225941200000000 ] - [ -0.0076955700000000, 0.0034293600000000, -0.0225663800000000 ] - [ -0.0065135300000000, 0.0041993500000000, -0.0229866300000000 ] - [ -0.0069289100000000, 0.0058756300000000, -0.0215919300000000 ] - [ -0.0061340000000000, 0.0057775200000000, -0.0219474000000000 ] - [ 0.0159966700000000, 0.0094008500000000, -0.0008696400000000 ] - [ 0.0148675300000000, 0.0102605300000000, 0.0005592600000000 ] - [ 0.0150560500000000, 0.0087122400000000, -0.0027417000000000 ] - [ 0.0192657600000000, 0.0055580900000000, -0.0243606000000000 ] - [ -0.0155507100000000, 0.0106583100000000, 0.0009510400000000 ] - [ -0.0153537900000000, 0.0104349100000000, 0.0007665000000000 ] - [ -0.0154637700000000, 0.0099238600000000, 0.0010058100000000 ] - [ -0.0147671400000000, 0.0103507400000000, 0.0007534500000000 ] - [ -0.0097459800000000, 0.0090605500000000, 0.2079423800000000 ] - [ 0.0140668800000000, -0.0025046600000000, 0.0124946700000000 ] - [ 0.0123584700000000, -0.0036810400000000, 0.0072652600000000 ] - [ 0.0130455400000000, -0.0028193800000000, 0.0068809400000000 ] - [ -0.0122226000000000, -0.0030632500000000, -0.0086608800000000 ] - [ -0.0126866200000000, -0.0037356000000000, -0.0084453100000000 ] - [ -0.0123768700000000, -0.0036702200000000, -0.0101097800000000 ] - [ -0.0123813500000000, -0.0035053800000000, -0.0092248500000000 ] - [ -0.0129781800000000, 0.0029372700000000, -0.0097340100000000 ] - [ -0.0126370400000000, 0.0025653400000000, -0.0101004300000000 ] - [ -0.0125850500000000, 0.0039665700000000, -0.0076872400000000 ] - [ -0.0122381800000000, 0.0044491100000000, -0.0090468200000000 ] - [ 0.0110377900000000, 0.0090561700000000, 0.0052930800000000 ] - [ 0.0114746600000000, 0.0051880500000000, 0.0077169100000000 ] - [ 0.0148938800000000, 0.0016232300000000, 0.0060056400000000 ] - [ 0.0110001600000000, 0.0015448200000000, 0.0076451800000000 ] - [ -0.0001049800000000, -0.0016333100000000, 0.0006144700000000 ] - [ 0.0019574300000000, -0.0133220900000000, -0.0079357600000000 ] - [ -0.0027039600000000, 0.0003067500000000, -0.0033748700000000 ] - [ 0.0004796200000000, 0.0004814500000000, -0.0008233500000000 ] - [ 0.0031630700000000, 0.0028284200000000, 0.0003471000000000 ] - [ 0.0003435300000000, -0.0004655500000000, 0.0011234400000000 ] - [ 0.0000121200000000, 0.0004284700000000, -0.0010676300000000 ] - [ -0.0001818200000000, 0.0007379700000000, -0.0011517700000000 ]- atom: 113 displacement: [ 0.0099999991596329, 0.0000000000000000, 0.0000040996757033 ] forces: - [ 0.0009028400000000, 0.0105021100000000, -0.0176662200000000 ] - [ 0.0007452600000000, 0.0092092600000000, -0.0187502200000000 ] - [ 0.0023425500000000, 0.0117971900000000, -0.0192391700000000 ] - [ 0.0009229500000000, 0.0094207500000000, -0.0183621000000000 ] - [ 0.0024926700000000, 0.0109863300000000, 0.0207441800000000 ] - [ 0.0000167900000000, 0.0076640800000000, 0.0225667300000000 ] - [ -0.0007621600000000, 0.0096900800000000, 0.0184118000000000 ] - [ -0.0010835300000000, 0.0098315200000000, 0.0183690900000000 ] - [ -0.0011168000000000, -0.0102814600000000, 0.0180974600000000 ] - [ -0.0009882100000000, -0.0090135000000000, 0.0191465100000000 ] - [ -0.0009793100000000, -0.0100996300000000, 0.0184722200000000 ] - [ 0.0004243500000000, -0.0077255700000000, 0.0175946700000000 ] - [ 0.0019330700000000, -0.0119341500000000, -0.0142317500000000 ] - [ 0.0043612400000000, -0.0085582800000000, -0.0161099000000000 ] - [ 0.0008091800000000, -0.0096926000000000, -0.0184694400000000 ] - [ 0.0011327100000000, -0.0098214200000000, -0.0184348200000000 ] - [ 0.0169937600000000, -0.0107543400000000, -0.0011331100000000 ] - [ 0.0131390000000000, -0.0096638300000000, -0.0016963400000000 ] - [ 0.0154180200000000, -0.0102501200000000, -0.0008179000000000 ] - [ 0.0151440800000000, -0.0101567900000000, -0.0013697100000000 ] - [ -0.0167365400000000, -0.0102319900000000, 0.0012261600000000 ] - [ -0.0184844600000000, -0.0096508400000000, 0.0000770500000000 ] - [ -0.0156287700000000, -0.0105382600000000, 0.0002953600000000 ] - [ -0.0154564900000000, -0.0098377000000000, 0.0012901100000000 ] - [ -0.0008492000000000, 0.0143199600000000, 0.0060939400000000 ] - [ -0.0006954600000000, 0.0142016000000000, 0.0058791600000000 ] - [ -0.0007010300000000, 0.0143323300000000, 0.0056715900000000 ] - [ -0.0006407300000000, 0.0141964100000000, 0.0060125500000000 ] - [ 0.0295942300000000, 0.0064590500000000, -0.0180816400000000 ] - [ 0.0001644900000000, 0.0175516700000000, -0.0028823100000000 ] - [ 0.0008673900000000, 0.0145980100000000, -0.0056520500000000 ] - [ 0.0006258200000000, 0.0127978400000000, -0.0066533800000000 ] - [ 0.0006398000000000, -0.0143927700000000, -0.0057464000000000 ] - [ 0.0005010500000000, -0.0142750700000000, -0.0055304600000000 ] - [ 0.0006922500000000, -0.0143950200000000, -0.0056141100000000 ] - [ 0.0006363500000000, -0.0142581000000000, -0.0059520200000000 ] - [ -0.0010876500000000, -0.0109733500000000, 0.0087383800000000 ] - [ 0.0274833100000000, -0.0218243100000000, -0.0056821200000000 ] - [ -0.0007064800000000, -0.0158053900000000, 0.0049651200000000 ] - [ -0.0004586900000000, -0.0139905200000000, 0.0059733600000000 ] - [ -0.0003656900000000, 0.0027596500000000, 0.0001199200000000 ] - [ -0.0005774700000000, 0.0021062700000000, 0.0010519300000000 ] - [ -0.0003301500000000, 0.0025822500000000, 0.0004689100000000 ] - [ -0.0005671300000000, 0.0021890500000000, 0.0009055200000000 ] - [ 0.0286488200000000, 0.0127143000000000, 0.0080103900000000 ] - [ 0.0004641100000000, 0.0014454600000000, -0.0068501700000000 ] - [ 0.0003970200000000, 0.0024397900000000, -0.0003751000000000 ] - [ 0.0006316000000000, 0.0021070500000000, -0.0012196200000000 ] - [ 0.0003260200000000, -0.0024642900000000, -0.0004559300000000 ] - [ 0.0005505100000000, -0.0018173200000000, -0.0013846700000000 ] - [ 0.0003261700000000, -0.0023849500000000, -0.0006022800000000 ] - [ 0.0005788400000000, -0.0019957200000000, -0.0010354300000000 ] - [ -0.0003883500000000, -0.0030829800000000, -0.0053639200000000 ] - [ 0.0267119200000000, 0.0074207100000000, 0.0090226900000000 ] - [ -0.0002685700000000, -0.0024580400000000, 0.0002816100000000 ] - [ -0.0005107300000000, -0.0021370800000000, 0.0011262100000000 ] - [ -0.0068843200000000, 0.0123998000000000, -0.0207321200000000 ] - [ -0.0084063000000000, 0.0123015500000000, -0.0203064900000000 ] - [ -0.0075688500000000, 0.0123827200000000, -0.0200645700000000 ] - [ -0.0088123500000000, 0.0124430900000000, -0.0209219900000000 ] - [ 0.0338451900000000, 0.0090556200000000, 0.0246427100000000 ] - [ 0.0051717700000000, 0.0116480200000000, 0.0204695800000000 ] - [ 0.0084680800000000, 0.0123070300000000, 0.0203377100000000 ] - [ 0.0071361800000000, 0.0123278500000000, 0.0200773200000000 ] - [ 0.0072600300000000, -0.0124481200000000, 0.0203787800000000 ] - [ 0.0087802600000000, -0.0123411200000000, 0.0199710800000000 ] - [ 0.0068467600000000, -0.0122955400000000, 0.0197795700000000 ] - [ 0.0081042200000000, -0.0123537800000000, 0.0206444100000000 ] - [ -0.0105270400000000, -0.0131253200000000, -0.0202089100000000 ] - [ 0.0177165400000000, -0.0153508200000000, -0.0163799300000000 ] - [ -0.0085373900000000, -0.0124038500000000, -0.0206155900000000 ] - [ -0.0072000600000000, -0.0124354300000000, -0.0203640400000000 ] - [ -0.0057598100000000, -0.0071241100000000, -0.0216400600000000 ] - [ -0.0041779500000000, -0.0076260800000000, -0.0230832500000000 ] - [ -0.0071573500000000, -0.0042281400000000, -0.0229272400000000 ] - [ -0.0052664600000000, -0.0054686800000000, -0.0222649900000000 ] - [ 0.0067604200000000, -0.0054544100000000, 0.0221629800000000 ] - [ 0.0067920800000000, -0.0050801500000000, 0.0222958600000000 ] - [ 0.0065317600000000, -0.0053781500000000, 0.0219094600000000 ] - [ 0.0071376500000000, -0.0052479300000000, 0.0224261900000000 ] - [ 0.0093036100000000, 0.0029634000000000, 0.0212897400000000 ] - [ 0.0077152200000000, 0.0034975400000000, 0.0226976700000000 ] - [ 0.0082471100000000, 0.0050988900000000, 0.0221823300000000 ] - [ 0.0062756800000000, 0.0063535800000000, 0.0214903300000000 ] - [ -0.0066842300000000, 0.0055142900000000, -0.0221085500000000 ] - [ -0.0067110000000000, 0.0051316700000000, -0.0222415600000000 ] - [ -0.0063335000000000, 0.0053436300000000, -0.0219803900000000 ] - [ -0.0069325800000000, 0.0052152600000000, -0.0224910800000000 ] - [ 0.0120695200000000, 0.0108759600000000, -0.0016777800000000 ] - [ 0.0138939600000000, 0.0103142500000000, -0.0005217300000000 ] - [ 0.0151891600000000, 0.0106754500000000, -0.0004726700000000 ] - [ 0.0149924600000000, 0.0100126900000000, -0.0014469200000000 ] - [ -0.0174559400000000, 0.0108747300000000, 0.0000563900000000 ] - [ -0.0136560800000000, 0.0098228300000000, 0.0006040800000000 ] - [ -0.0154825900000000, 0.0103758800000000, 0.0003754800000000 ] - [ -0.0152057700000000, 0.0102788600000000, 0.0009303600000000 ] - [ 0.0197327500000000, -0.0059142700000000, 0.0104144600000000 ] - [ 0.0115403500000000, -0.0011725500000000, 0.0067329400000000 ] - [ 0.0145276900000000, -0.0046455000000000, 0.0120320300000000 ] - [ 0.0126135700000000, -0.0029386800000000, 0.0083737900000000 ] - [ -0.0132200900000000, -0.0032110700000000, -0.0093577400000000 ] - [ -0.0088965700000000, -0.0044832000000000, -0.0113362000000000 ] - [ -0.0127095700000000, -0.0033978800000000, -0.0087280400000000 ] - [ -0.0126209900000000, -0.0039238000000000, -0.0089036300000000 ] - [ -0.0137649600000000, 0.0057735100000000, -0.0112623000000000 ] - [ -0.0055339700000000, 0.0012596900000000, -0.0073272700000000 ] - [ -0.0126607200000000, 0.0042220700000000, -0.0093789000000000 ] - [ -0.0107450600000000, 0.0024848400000000, -0.0057494700000000 ] - [ 0.0163648500000000, 0.0026464700000000, 0.0064148500000000 ] - [ 0.0120433100000000, 0.0039240400000000, 0.0084209800000000 ] - [ 0.0126462200000000, 0.0032109000000000, 0.0088676500000000 ] - [ 0.0125503500000000, 0.0037364200000000, 0.0090583300000000 ] - [ -0.1928265000000000, 0.0045259800000000, 0.0031304300000000 ] - [ 0.0033716900000000, -0.0000968700000000, -0.0003942100000000 ] - [ -0.0004161000000000, -0.0002312800000000, 0.0001882000000000 ] - [ 0.0010415000000000, 0.0014291600000000, 0.0001175900000000 ] - [ 0.0004721800000000, -0.0003347800000000, -0.0001856300000000 ] - [ -0.0003410100000000, -0.0001237500000000, 0.0007732100000000 ] - [ 0.0004718100000000, -0.0003291000000000, -0.0001901200000000 ] - [ -0.0003533500000000, -0.0001206400000000, 0.0007665700000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009087200000000, 0.0093192000000000, -0.0184053000000000 ] - [ -0.0004217800000000, 0.0088259900000000, -0.0191587300000000 ] - [ 0.0041726900000000, 0.0110888600000000, -0.0177644400000000 ] - [ 0.0006425400000000, 0.0096945700000000, -0.0184780400000000 ] - [ 0.0016533700000000, 0.0116446000000000, 0.0229183700000000 ] - [ -0.0036687800000000, 0.0126623800000000, 0.0123270100000000 ] - [ -0.0013189700000000, 0.0096423800000000, 0.0181380100000000 ] - [ -0.0010049900000000, 0.0094729300000000, 0.0185285900000000 ] - [ -0.0023323700000000, -0.0106959200000000, 0.0176718800000000 ] - [ -0.0009764400000000, -0.0101768300000000, 0.0184439300000000 ] - [ -0.0012555800000000, -0.0098153300000000, 0.0183606000000000 ] - [ 0.0023245700000000, -0.0083846300000000, 0.0190694700000000 ] - [ -0.0016907000000000, -0.0069362000000000, -0.0244181600000000 ] - [ 0.0035123100000000, -0.0079107700000000, -0.0139638900000000 ] - [ 0.0008904200000000, -0.0100408100000000, -0.0183107900000000 ] - [ 0.0005789000000000, -0.0098759300000000, -0.0186988900000000 ] - [ 0.0157683600000000, -0.0133319100000000, -0.0008632800000000 ] - [ 0.0145230900000000, -0.0097775200000000, -0.0033594600000000 ] - [ 0.0153681000000000, -0.0102178200000000, -0.0007700900000000 ] - [ 0.0154288400000000, -0.0103064200000000, -0.0007083600000000 ] - [ -0.0142862800000000, -0.0097185900000000, 0.0018545600000000 ] - [ -0.0203499900000000, -0.0088228700000000, -0.0009244000000000 ] - [ -0.0152029300000000, -0.0098510500000000, 0.0007409800000000 ] - [ -0.0148699600000000, -0.0106372200000000, 0.0002883000000000 ] - [ -0.0004831200000000, 0.0133711400000000, 0.0056538600000000 ] - [ -0.0005685100000000, 0.0131844300000000, 0.0055939100000000 ] - [ -0.0007689100000000, 0.0141048600000000, 0.0057037800000000 ] - [ -0.0007033900000000, 0.0140715100000000, 0.0058161900000000 ] - [ -0.0073607800000000, 0.0410511300000000, 0.0023991300000000 ] - [ 0.0011121100000000, 0.0130312000000000, -0.0063551000000000 ] - [ 0.0012430500000000, 0.0146101200000000, -0.0057226800000000 ] - [ 0.0012262900000000, 0.0129802200000000, -0.0065093700000000 ] - [ 0.0007724400000000, -0.0154022900000000, -0.0060240100000000 ] - [ 0.0008714800000000, -0.0152294800000000, -0.0059736700000000 ] - [ 0.0006345800000000, -0.0145215300000000, -0.0058052400000000 ] - [ 0.0005796900000000, -0.0144929900000000, -0.0059215800000000 ] - [ -0.0001937900000000, -0.0156091400000000, 0.0052293600000000 ] - [ -0.0090492800000000, 0.0126499700000000, 0.0143602400000000 ] - [ -0.0001188200000000, -0.0156059400000000, 0.0051235700000000 ] - [ -0.0001025900000000, -0.0139791100000000, 0.0059082000000000 ] - [ -0.0010180500000000, 0.0014445700000000, 0.0011771000000000 ] - [ -0.0007973600000000, 0.0021057000000000, 0.0011360100000000 ] - [ -0.0005688800000000, 0.0019559700000000, 0.0004139100000000 ] - [ -0.0003259900000000, 0.0018214500000000, 0.0007092900000000 ] - [ 0.0104344200000000, 0.0398450800000000, 0.0083046900000000 ] - [ 0.0005048900000000, 0.0043834100000000, 0.0019898800000000 ] - [ 0.0005612800000000, 0.0022829100000000, -0.0004021500000000 ] - [ 0.0001275400000000, 0.0025017400000000, -0.0001821300000000 ] - [ 0.0001037000000000, -0.0024689600000000, -0.0003699600000000 ] - [ -0.0000936500000000, -0.0031443500000000, -0.0003345900000000 ] - [ 0.0005812500000000, -0.0027502600000000, -0.0007958500000000 ] - [ 0.0003433200000000, -0.0026207000000000, -0.0010992500000000 ] - [ -0.0003869500000000, -0.0001804400000000, 0.0035200500000000 ] - [ 0.0086647000000000, 0.0340982600000000, 0.0091995100000000 ] - [ -0.0007856800000000, -0.0020722400000000, 0.0013299700000000 ] - [ -0.0003480300000000, -0.0022984800000000, 0.0011087400000000 ] - [ -0.0078304300000000, 0.0114085100000000, -0.0205274800000000 ] - [ -0.0074162400000000, 0.0113312000000000, -0.0210647700000000 ] - [ -0.0075604200000000, 0.0121077400000000, -0.0201607500000000 ] - [ -0.0093426300000000, 0.0117584200000000, -0.0206691600000000 ] - [ 0.0038664100000000, 0.0425877100000000, 0.0132599600000000 ] - [ 0.0064227800000000, 0.0128582800000000, 0.0205400800000000 ] - [ 0.0080158100000000, 0.0130669400000000, 0.0204978600000000 ] - [ 0.0082420700000000, 0.0124055800000000, 0.0203103000000000 ] - [ 0.0082459200000000, -0.0134046800000000, 0.0196625200000000 ] - [ 0.0078380000000000, -0.0133246700000000, 0.0201926900000000 ] - [ 0.0063524900000000, -0.0129829500000000, 0.0200357300000000 ] - [ 0.0081123200000000, -0.0126279700000000, 0.0205409200000000 ] - [ -0.0092411900000000, -0.0118720100000000, -0.0201608700000000 ] - [ -0.0123597700000000, 0.0191737400000000, -0.0282389200000000 ] - [ -0.0074255900000000, -0.0123333900000000, -0.0203911300000000 ] - [ -0.0076544400000000, -0.0116591000000000, -0.0202073600000000 ] - [ -0.0054465300000000, -0.0065014700000000, -0.0224790100000000 ] - [ -0.0044755700000000, -0.0095409400000000, -0.0242659800000000 ] - [ -0.0058273700000000, -0.0026455600000000, -0.0241956900000000 ] - [ -0.0090075500000000, -0.0034023500000000, -0.0245618700000000 ] - [ 0.0065418300000000, -0.0065436600000000, 0.0219385900000000 ] - [ 0.0062862500000000, -0.0063618800000000, 0.0215095700000000 ] - [ 0.0063764900000000, -0.0055197400000000, 0.0218318900000000 ] - [ 0.0077733000000000, -0.0051126300000000, 0.0223735700000000 ] - [ 0.0089321100000000, 0.0011230500000000, 0.0201968900000000 ] - [ 0.0080202500000000, 0.0040569600000000, 0.0218898200000000 ] - [ 0.0044711600000000, 0.0071882400000000, 0.0198619000000000 ] - [ 0.0076424700000000, 0.0079704400000000, 0.0202247600000000 ] - [ -0.0071868200000000, 0.0042284700000000, -0.0229034600000000 ] - [ -0.0069290200000000, 0.0040491900000000, -0.0224650900000000 ] - [ -0.0057175100000000, 0.0054650200000000, -0.0220354400000000 ] - [ -0.0071036800000000, 0.0050670700000000, -0.0225713800000000 ] - [ 0.0103123000000000, 0.0116401800000000, -0.0026011100000000 ] - [ 0.0163291000000000, 0.0108026500000000, 0.0000991000000000 ] - [ 0.0157665500000000, 0.0098891200000000, -0.0014641100000000 ] - [ 0.0154242000000000, 0.0106779200000000, -0.0010190100000000 ] - [ -0.0160714600000000, 0.0107931500000000, -0.0016402100000000 ] - [ -0.0148560400000000, 0.0072042500000000, 0.0008478300000000 ] - [ -0.0152006800000000, 0.0102302900000000, 0.0010281300000000 ] - [ -0.0152559000000000, 0.0103139100000000, 0.0009783700000000 ] - [ 0.0103469800000000, -0.0043056800000000, 0.0101027300000000 ] - [ 0.0161314000000000, 0.0028773900000000, 0.0231857900000000 ] - [ 0.0117319600000000, -0.0042686100000000, 0.0083767500000000 ] - [ 0.0133111700000000, -0.0042716100000000, 0.0085295000000000 ] - [ -0.0122276500000000, -0.0014291700000000, -0.0092880300000000 ] - [ -0.0129226700000000, -0.0003250900000000, -0.0060551400000000 ] - [ -0.0126575100000000, -0.0030023000000000, -0.0081376900000000 ] - [ -0.0127954600000000, -0.0032726400000000, -0.0084748300000000 ] - [ -0.0090651800000000, 0.0099630900000000, 0.0054900800000000 ] - [ -0.0149618500000000, 0.0028098200000000, -0.0076772000000000 ] - [ -0.0119451900000000, 0.0028630400000000, -0.0092285100000000 ] - [ -0.0135124200000000, 0.0028524100000000, -0.0093606900000000 ] - [ 0.0123644100000000, 0.0068037400000000, 0.0116660900000000 ] - [ 0.0130217800000000, 0.0056776400000000, 0.0085038900000000 ] - [ 0.0124755400000000, 0.0038791000000000, 0.0092967400000000 ] - [ 0.0126128100000000, 0.0041375800000000, 0.0096359000000000 ] - [ 0.0045426200000000, -0.2035623200000000, -0.0319644000000000 ] - [ -0.0000972400000000, -0.0026918800000000, -0.0006740200000000 ] - [ -0.0002351500000000, -0.0008394500000000, -0.0001537400000000 ] - [ 0.0014306600000000, 0.0008891700000000, -0.0004540000000000 ] - [ 0.0003308400000000, 0.0015267500000000, 0.0003201000000000 ] - [ 0.0001186600000000, 0.0018212900000000, 0.0000629500000000 ] - [ 0.0003303900000000, 0.0015176300000000, 0.0003251800000000 ] - [ 0.0001280200000000, 0.0018162400000000, 0.0000751300000000 ]- atom: 113 displacement: [ -0.0019892822674104, 0.0000000000000000, 0.0098001406143262 ] forces: - [ 0.0008050900000000, 0.0091406100000000, -0.0179291000000000 ] - [ 0.0001041200000000, 0.0091485700000000, -0.0185536200000000 ] - [ -0.0003737200000000, 0.0095461400000000, -0.0185609700000000 ] - [ 0.0010573200000000, 0.0101301100000000, -0.0185375200000000 ] - [ -0.0031902600000000, 0.0093374100000000, 0.0137243700000000 ] - [ -0.0021976300000000, 0.0107869300000000, 0.0157170300000000 ] - [ -0.0009791000000000, 0.0097383200000000, 0.0181413200000000 ] - [ -0.0006076900000000, 0.0094474100000000, 0.0183367700000000 ] - [ -0.0017782300000000, -0.0103403900000000, 0.0182840800000000 ] - [ -0.0010857500000000, -0.0103559300000000, 0.0189140500000000 ] - [ -0.0008345600000000, -0.0093790600000000, 0.0183042000000000 ] - [ -0.0022421000000000, -0.0099397800000000, 0.0182744700000000 ] - [ -0.0003112600000000, -0.0087040600000000, -0.0212107300000000 ] - [ -0.0012425700000000, -0.0101302100000000, -0.0230447000000000 ] - [ 0.0012855100000000, -0.0100581600000000, -0.0185032800000000 ] - [ 0.0009136900000000, -0.0097644700000000, -0.0186966400000000 ] - [ 0.0164341600000000, -0.0122536000000000, 0.0004905600000000 ] - [ 0.0155575700000000, -0.0121267400000000, 0.0005476400000000 ] - [ 0.0152741100000000, -0.0101681500000000, -0.0012589800000000 ] - [ 0.0150404400000000, -0.0100996000000000, -0.0014723700000000 ] - [ -0.0155229300000000, -0.0098230600000000, 0.0003836400000000 ] - [ -0.0107722200000000, -0.0101150200000000, 0.0017307500000000 ] - [ -0.0150785000000000, -0.0101002700000000, 0.0005696400000000 ] - [ -0.0143621900000000, -0.0109786000000000, 0.0004887900000000 ] - [ -0.0010362700000000, 0.0146928500000000, 0.0057345900000000 ] - [ -0.0006697400000000, 0.0147578200000000, 0.0060114100000000 ] - [ -0.0007183400000000, 0.0144924900000000, 0.0056781100000000 ] - [ -0.0005473700000000, 0.0141190700000000, 0.0057399900000000 ] - [ -0.0167046100000000, 0.0257333600000000, 0.0339680700000000 ] - [ 0.0005022400000000, 0.0138289500000000, -0.0029517400000000 ] - [ 0.0012938200000000, 0.0143187900000000, -0.0062131100000000 ] - [ 0.0001239100000000, 0.0149568400000000, -0.0058886600000000 ] - [ 0.0006851200000000, -0.0138385100000000, -0.0056115300000000 ] - [ 0.0003217800000000, -0.0139209000000000, -0.0058895200000000 ] - [ 0.0008042900000000, -0.0144821200000000, -0.0058897700000000 ] - [ 0.0006395600000000, -0.0141069000000000, -0.0059530800000000 ] - [ -0.0008328400000000, -0.0147757000000000, 0.0086700500000000 ] - [ -0.0193573100000000, -0.0021105900000000, 0.0477580200000000 ] - [ -0.0012197800000000, -0.0136732400000000, 0.0057328600000000 ] - [ -0.0000647300000000, -0.0142857300000000, 0.0054163400000000 ] - [ -0.0002048600000000, 0.0021317600000000, 0.0012816600000000 ] - [ -0.0000260900000000, 0.0023065400000000, 0.0008061500000000 ] - [ -0.0005101700000000, 0.0025004000000000, 0.0003963000000000 ] - [ -0.0001296700000000, 0.0023685600000000, 0.0006935500000000 ] - [ 0.0018533600000000, 0.0073290700000000, 0.0257983000000000 ] - [ 0.0002770300000000, 0.0022446800000000, 0.0008900100000000 ] - [ 0.0002647500000000, 0.0025279500000000, -0.0012615900000000 ] - [ 0.0001346400000000, 0.0022574100000000, -0.0016512400000000 ] - [ 0.0008887700000000, -0.0022725000000000, -0.0007171500000000 ] - [ 0.0007309000000000, -0.0024281700000000, -0.0002563800000000 ] - [ 0.0007959100000000, -0.0022051100000000, -0.0008277500000000 ] - [ 0.0004162000000000, -0.0020756300000000, -0.0011193600000000 ] - [ -0.0005866900000000, -0.0023188800000000, 0.0024576300000000 ] - [ 0.0005437000000000, 0.0025478500000000, 0.0270888300000000 ] - [ -0.0007867500000000, -0.0023084100000000, -0.0001249000000000 ] - [ -0.0006609300000000, -0.0020370800000000, 0.0002523000000000 ] - [ -0.0086106400000000, 0.0124300900000000, -0.0195866100000000 ] - [ -0.0078736500000000, 0.0122887500000000, -0.0206648100000000 ] - [ -0.0081710500000000, 0.0122945300000000, -0.0203798600000000 ] - [ -0.0068958900000000, 0.0123294600000000, -0.0200568000000000 ] - [ 0.0072657700000000, 0.0060654300000000, 0.0493569400000000 ] - [ 0.0091830400000000, 0.0127466700000000, 0.0214213700000000 ] - [ 0.0072548200000000, 0.0126511300000000, 0.0196931700000000 ] - [ 0.0078341600000000, 0.0119556700000000, 0.0194277800000000 ] - [ 0.0077984700000000, -0.0124500200000000, 0.0200403400000000 ] - [ 0.0070543400000000, -0.0123128400000000, 0.0211033900000000 ] - [ 0.0087882200000000, -0.0124118100000000, 0.0206577500000000 ] - [ 0.0075021600000000, -0.0124347500000000, 0.0203397100000000 ] - [ -0.0064758600000000, -0.0119863700000000, -0.0193010100000000 ] - [ -0.0086433400000000, -0.0181913600000000, 0.0078379800000000 ] - [ -0.0078329700000000, -0.0127963800000000, -0.0212909600000000 ] - [ -0.0084172900000000, -0.0120913900000000, -0.0210237100000000 ] - [ -0.0059884700000000, -0.0085556700000000, -0.0220389800000000 ] - [ -0.0104974100000000, -0.0017112900000000, -0.0192399700000000 ] - [ -0.0064008900000000, -0.0076006200000000, -0.0224982400000000 ] - [ -0.0078542600000000, -0.0048524700000000, -0.0247770500000000 ] - [ 0.0067883400000000, -0.0048442200000000, 0.0223995800000000 ] - [ 0.0068811000000000, -0.0049054000000000, 0.0225165400000000 ] - [ 0.0070948400000000, -0.0053279300000000, 0.0219990200000000 ] - [ 0.0063059500000000, -0.0053828200000000, 0.0219434300000000 ] - [ 0.0030981400000000, 0.0088129600000000, 0.0250782700000000 ] - [ 0.0074363900000000, 0.0020772100000000, 0.0223638700000000 ] - [ 0.0056152200000000, 0.0057058000000000, 0.0196698200000000 ] - [ 0.0070512500000000, 0.0029081600000000, 0.0219464200000000 ] - [ -0.0066021600000000, 0.0056649500000000, -0.0219014000000000 ] - [ -0.0066868100000000, 0.0057318900000000, -0.0220194900000000 ] - [ -0.0071782600000000, 0.0051893000000000, -0.0224725000000000 ] - [ -0.0063843200000000, 0.0052477400000000, -0.0224217400000000 ] - [ 0.0199010700000000, 0.0103668200000000, 0.0000034800000000 ] - [ 0.0151233600000000, 0.0107384600000000, -0.0013488000000000 ] - [ 0.0162556100000000, 0.0095576600000000, -0.0012616700000000 ] - [ 0.0155544200000000, 0.0104250700000000, -0.0011837000000000 ] - [ -0.0150665400000000, 0.0084089700000000, 0.0023232900000000 ] - [ -0.0142066400000000, 0.0083119100000000, 0.0022374000000000 ] - [ -0.0155901100000000, 0.0104396500000000, 0.0002702700000000 ] - [ -0.0153617700000000, 0.0103707600000000, 0.0004870300000000 ] - [ 0.0116646800000000, -0.0015545400000000, 0.0080511900000000 ] - [ 0.0122553100000000, 0.0088612900000000, 0.0171282000000000 ] - [ 0.0156124900000000, -0.0046699500000000, 0.0123133700000000 ] - [ 0.0123290500000000, -0.0045518500000000, 0.0097283300000000 ] - [ -0.0134897400000000, -0.0043008100000000, -0.0100931300000000 ] - [ -0.0147499400000000, -0.0055591000000000, -0.0090185800000000 ] - [ -0.0127504600000000, -0.0031933600000000, -0.0077952800000000 ] - [ -0.0122477100000000, -0.0035697100000000, -0.0077324200000000 ] - [ -0.0131066500000000, 0.0160941900000000, -0.0006819300000000 ] - [ -0.0135932400000000, 0.0056039500000000, -0.0097269600000000 ] - [ -0.0129571200000000, 0.0026030800000000, -0.0079931700000000 ] - [ -0.0096828900000000, 0.0024726600000000, -0.0054581600000000 ] - [ 0.0105174600000000, 0.0016116300000000, 0.0087775600000000 ] - [ 0.0117717900000000, 0.0028449100000000, 0.0076548800000000 ] - [ 0.0130196900000000, 0.0035780200000000, 0.0100332200000000 ] - [ 0.0125240500000000, 0.0039569300000000, 0.0099750700000000 ] - [ 0.0415121500000000, -0.0322365400000000, -0.2102159600000000 ] - [ -0.0010553500000000, -0.0006420200000000, -0.0036415700000000 ] - [ 0.0002690100000000, -0.0001068200000000, 0.0015325900000000 ] - [ -0.0000913700000000, -0.0007300900000000, 0.0018416700000000 ] - [ -0.0002768400000000, -0.0002458000000000, 0.0000878000000000 ] - [ 0.0008202400000000, -0.0000535100000000, -0.0003137600000000 ] - [ -0.0002832400000000, -0.0002552700000000, 0.0000768400000000 ] - [ 0.0008271800000000, -0.0000342700000000, -0.0003371400000000 ]