# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fdcdc65b-ff81-434c-b33d-f9fddf2c62a6/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 ZnS / P3m1 (156) / materials id 556152](https://mdr.nims.go.jp/datasets/5d1454a8-0269-41ad-ad1d-9dedce5cf05f) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P3m1" number: 156 Hall_symbol: "P 3 -2\""supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 3.785884210000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.892942100000000, 3.278671900000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 55.686226439999999 ] # c points: - symbol: Zn # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.833348730000000 ] mass: 65.380000 - symbol: Zn # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.722222730000000 ] mass: 65.380000 - symbol: Zn # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.611094550000000 ] mass: 65.380000 - symbol: Zn # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.666600840000000 ] mass: 65.380000 - symbol: Zn # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.944406240000000 ] mass: 65.380000 - symbol: Zn # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.388838630000000 ] mass: 65.380000 - symbol: Zn # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.888876610000000 ] mass: 65.380000 - symbol: Zn # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.999920540000000 ] mass: 65.380000 - symbol: Zn # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.555567980000000 ] mass: 65.380000 - symbol: Zn # 10 coordinates: [ 0.333333330000000, 0.666666670000000, 0.777826570000000 ] mass: 65.380000 - symbol: Zn # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.444453720000000 ] mass: 65.380000 - symbol: Zn # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.277758490000000 ] mass: 65.380000 - symbol: Zn # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.222157060000000 ] mass: 65.380000 - symbol: Zn # 14 coordinates: [ 0.666666670000000, 0.333333330000000, 0.055547010000000 ] mass: 65.380000 - symbol: Zn # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.166663710000000 ] mass: 65.380000 - symbol: Zn # 16 coordinates: [ 0.666666670000000, 0.333333330000000, 0.333346240000000 ] mass: 65.380000 - symbol: Zn # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500050580000000 ] mass: 65.380000 - symbol: Zn # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.111148300000000 ] mass: 65.380000 - symbol: S # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.291718220000000 ] mass: 32.065000 - symbol: S # 20 coordinates: [ 0.333333330000000, 0.666666670000000, 0.125027680000000 ] mass: 32.065000 - symbol: S # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.458417830000000 ] mass: 32.065000 - symbol: S # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.958296440000000 ] mass: 32.065000 - symbol: S # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.513930140000000 ] mass: 32.065000 - symbol: S # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.069513690000000 ] mass: 32.065000 - symbol: S # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.402742960000000 ] mass: 32.065000 - symbol: S # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.847236860000000 ] mass: 32.065000 - symbol: S # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.902766580000000 ] mass: 32.065000 - symbol: S # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.013832220000000 ] mass: 32.065000 - symbol: S # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.180541140000000 ] mass: 32.065000 - symbol: S # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.569455460000000 ] mass: 32.065000 - symbol: S # 31 coordinates: [ 0.333333330000000, 0.666666670000000, 0.736190580000000 ] mass: 32.065000 - symbol: S # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.347221610000000 ] mass: 32.065000 - symbol: S # 33 coordinates: [ 0.333333330000000, 0.666666670000000, 0.624978800000000 ] mass: 32.065000 - symbol: S # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.236053030000000 ] mass: 32.065000 - symbol: S # 35 coordinates: [ 0.666666670000000, 0.333333330000000, 0.680508290000000 ] mass: 32.065000 - symbol: S # 36 coordinates: [ 0.000000000000000, 0.000000000000000, 0.791709930000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.264139087338860, 0.152500772852357, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.305001546510342, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.017957761980469 ] # c*unit_cell: lattice: - [ 3.785884210000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.892942100000000, 3.278671900000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 55.686226439999999 ] # c points: - symbol: Zn # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.833348730000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.722222730000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.611094550000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.666600840000000 ] mass: 65.380000 reduced_to: 4 - symbol: Zn # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.944406240000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.388838630000000 ] mass: 65.380000 reduced_to: 6 - symbol: Zn # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.888876610000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.999920540000000 ] mass: 65.380000 reduced_to: 8 - symbol: Zn # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.555567980000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.333333330000000, 0.666666670000000, 0.777826570000000 ] mass: 65.380000 reduced_to: 10 - symbol: Zn # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.444453720000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.277758490000000 ] mass: 65.380000 reduced_to: 12 - symbol: Zn # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.222157060000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 14 coordinates: [ 0.666666670000000, 0.333333330000000, 0.055547010000000 ] mass: 65.380000 reduced_to: 14 - symbol: Zn # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.166663710000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 16 coordinates: [ 0.666666670000000, 0.333333330000000, 0.333346240000000 ] mass: 65.380000 reduced_to: 16 - symbol: Zn # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500050580000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.111148300000000 ] mass: 65.380000 reduced_to: 18 - symbol: S # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.291718220000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.333333330000000, 0.666666670000000, 0.125027680000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.458417830000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.958296440000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.513930140000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.069513690000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.402742960000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.847236860000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.902766580000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.013832220000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.180541140000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.569455460000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.333333330000000, 0.666666670000000, 0.736190580000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.347221610000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.333333330000000, 0.666666670000000, 0.624978800000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.236053030000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.666666670000000, 0.333333330000000, 0.680508290000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.000000000000000, 0.000000000000000, 0.791709930000000 ] mass: 32.065000 reduced_to: 36supercell: lattice: - [ 7.571768420000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.785884200000000, 6.557343800000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 55.686226439999999 ] # c points: - symbol: Zn # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.833348730000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.833348730000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.833348730000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.833348730000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 5 coordinates: [ 0.333333335000000, 0.166666665000000, 0.722222730000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.833333335000000, 0.166666665000000, 0.722222730000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 7 coordinates: [ 0.333333335000000, 0.666666665000000, 0.722222730000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 8 coordinates: [ 0.833333335000000, 0.666666665000000, 0.722222730000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.611094550000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.611094550000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.611094550000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.611094550000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 13 coordinates: [ 0.166666665000000, 0.333333335000000, 0.666600840000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 14 coordinates: [ 0.666666665000000, 0.333333335000000, 0.666600840000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 15 coordinates: [ 0.166666665000000, 0.833333335000000, 0.666600840000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 16 coordinates: [ 0.666666665000000, 0.833333335000000, 0.666600840000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 17 coordinates: [ 0.166666665000000, 0.333333335000000, 0.944406240000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 18 coordinates: [ 0.666666665000000, 0.333333335000000, 0.944406240000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 19 coordinates: [ 0.166666665000000, 0.833333335000000, 0.944406240000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 20 coordinates: [ 0.666666665000000, 0.833333335000000, 0.944406240000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 21 coordinates: [ 0.166666665000000, 0.333333335000000, 0.388838630000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 22 coordinates: [ 0.666666665000000, 0.333333335000000, 0.388838630000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 23 coordinates: [ 0.166666665000000, 0.833333335000000, 0.388838630000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 24 coordinates: [ 0.666666665000000, 0.833333335000000, 0.388838630000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 25 coordinates: [ 0.333333335000000, 0.166666665000000, 0.888876610000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 26 coordinates: [ 0.833333335000000, 0.166666665000000, 0.888876610000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 27 coordinates: [ 0.333333335000000, 0.666666665000000, 0.888876610000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 28 coordinates: [ 0.833333335000000, 0.666666665000000, 0.888876610000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.999920540000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.999920540000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.999920540000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.999920540000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 33 coordinates: [ 0.333333335000000, 0.166666665000000, 0.555567980000000 ] mass: 65.380000 reduced_to: 33 - symbol: Zn # 34 coordinates: [ 0.833333335000000, 0.166666665000000, 0.555567980000000 ] mass: 65.380000 reduced_to: 33 - symbol: Zn # 35 coordinates: [ 0.333333335000000, 0.666666665000000, 0.555567980000000 ] mass: 65.380000 reduced_to: 33 - symbol: Zn # 36 coordinates: [ 0.833333335000000, 0.666666665000000, 0.555567980000000 ] mass: 65.380000 reduced_to: 33 - symbol: Zn # 37 coordinates: [ 0.166666665000000, 0.333333335000000, 0.777826570000000 ] mass: 65.380000 reduced_to: 37 - symbol: Zn # 38 coordinates: [ 0.666666665000000, 0.333333335000000, 0.777826570000000 ] mass: 65.380000 reduced_to: 37 - symbol: Zn # 39 coordinates: [ 0.166666665000000, 0.833333335000000, 0.777826570000000 ] mass: 65.380000 reduced_to: 37 - symbol: Zn # 40 coordinates: [ 0.666666665000000, 0.833333335000000, 0.777826570000000 ] mass: 65.380000 reduced_to: 37 - symbol: Zn # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.444453720000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 42 coordinates: [ 0.500000000000000, 0.000000000000000, 0.444453720000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 43 coordinates: [ 0.000000000000000, 0.500000000000000, 0.444453720000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 44 coordinates: [ 0.500000000000000, 0.500000000000000, 0.444453720000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.277758490000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 46 coordinates: [ 0.500000000000000, 0.000000000000000, 0.277758490000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 47 coordinates: [ 0.000000000000000, 0.500000000000000, 0.277758490000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 48 coordinates: [ 0.500000000000000, 0.500000000000000, 0.277758490000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 49 coordinates: [ 0.333333335000000, 0.166666665000000, 0.222157060000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 50 coordinates: [ 0.833333335000000, 0.166666665000000, 0.222157060000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 51 coordinates: [ 0.333333335000000, 0.666666665000000, 0.222157060000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 52 coordinates: [ 0.833333335000000, 0.666666665000000, 0.222157060000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 53 coordinates: [ 0.333333335000000, 0.166666665000000, 0.055547010000000 ] mass: 65.380000 reduced_to: 53 - symbol: Zn # 54 coordinates: [ 0.833333335000000, 0.166666665000000, 0.055547010000000 ] mass: 65.380000 reduced_to: 53 - symbol: Zn # 55 coordinates: [ 0.333333335000000, 0.666666665000000, 0.055547010000000 ] mass: 65.380000 reduced_to: 53 - symbol: Zn # 56 coordinates: [ 0.833333335000000, 0.666666665000000, 0.055547010000000 ] mass: 65.380000 reduced_to: 53 - symbol: Zn # 57 coordinates: [ 0.166666665000000, 0.333333335000000, 0.166663710000000 ] mass: 65.380000 reduced_to: 57 - symbol: Zn # 58 coordinates: [ 0.666666665000000, 0.333333335000000, 0.166663710000000 ] mass: 65.380000 reduced_to: 57 - symbol: Zn # 59 coordinates: [ 0.166666665000000, 0.833333335000000, 0.166663710000000 ] mass: 65.380000 reduced_to: 57 - symbol: Zn # 60 coordinates: [ 0.666666665000000, 0.833333335000000, 0.166663710000000 ] mass: 65.380000 reduced_to: 57 - symbol: Zn # 61 coordinates: [ 0.333333335000000, 0.166666665000000, 0.333346240000000 ] mass: 65.380000 reduced_to: 61 - symbol: Zn # 62 coordinates: [ 0.833333335000000, 0.166666665000000, 0.333346240000000 ] mass: 65.380000 reduced_to: 61 - symbol: Zn # 63 coordinates: [ 0.333333335000000, 0.666666665000000, 0.333346240000000 ] mass: 65.380000 reduced_to: 61 - symbol: Zn # 64 coordinates: [ 0.833333335000000, 0.666666665000000, 0.333346240000000 ] mass: 65.380000 reduced_to: 61 - symbol: Zn # 65 coordinates: [ 0.166666665000000, 0.333333335000000, 0.500050580000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 66 coordinates: [ 0.666666665000000, 0.333333335000000, 0.500050580000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 67 coordinates: [ 0.166666665000000, 0.833333335000000, 0.500050580000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 68 coordinates: [ 0.666666665000000, 0.833333335000000, 0.500050580000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 69 coordinates: [ 0.000000000000000, 0.000000000000000, 0.111148300000000 ] mass: 65.380000 reduced_to: 69 - symbol: Zn # 70 coordinates: [ 0.500000000000000, 0.000000000000000, 0.111148300000000 ] mass: 65.380000 reduced_to: 69 - symbol: Zn # 71 coordinates: [ 0.000000000000000, 0.500000000000000, 0.111148300000000 ] mass: 65.380000 reduced_to: 69 - symbol: Zn # 72 coordinates: [ 0.500000000000000, 0.500000000000000, 0.111148300000000 ] mass: 65.380000 reduced_to: 69 - symbol: S # 73 coordinates: [ 0.333333335000000, 0.166666665000000, 0.291718220000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 74 coordinates: [ 0.833333335000000, 0.166666665000000, 0.291718220000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 75 coordinates: [ 0.333333335000000, 0.666666665000000, 0.291718220000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 76 coordinates: [ 0.833333335000000, 0.666666665000000, 0.291718220000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 77 coordinates: [ 0.166666665000000, 0.333333335000000, 0.125027680000000 ] mass: 32.065000 reduced_to: 77 - symbol: S # 78 coordinates: [ 0.666666665000000, 0.333333335000000, 0.125027680000000 ] mass: 32.065000 reduced_to: 77 - symbol: S # 79 coordinates: [ 0.166666665000000, 0.833333335000000, 0.125027680000000 ] mass: 32.065000 reduced_to: 77 - symbol: S # 80 coordinates: [ 0.666666665000000, 0.833333335000000, 0.125027680000000 ] mass: 32.065000 reduced_to: 77 - symbol: S # 81 coordinates: [ 0.166666665000000, 0.333333335000000, 0.458417830000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 82 coordinates: [ 0.666666665000000, 0.333333335000000, 0.458417830000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 83 coordinates: [ 0.166666665000000, 0.833333335000000, 0.458417830000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 84 coordinates: [ 0.666666665000000, 0.833333335000000, 0.458417830000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.958296440000000 ] mass: 32.065000 reduced_to: 85 - symbol: S # 86 coordinates: [ 0.500000000000000, 0.000000000000000, 0.958296440000000 ] mass: 32.065000 reduced_to: 85 - symbol: S # 87 coordinates: [ 0.000000000000000, 0.500000000000000, 0.958296440000000 ] mass: 32.065000 reduced_to: 85 - symbol: S # 88 coordinates: [ 0.500000000000000, 0.500000000000000, 0.958296440000000 ] mass: 32.065000 reduced_to: 85 - symbol: S # 89 coordinates: [ 0.333333335000000, 0.166666665000000, 0.513930140000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 90 coordinates: [ 0.833333335000000, 0.166666665000000, 0.513930140000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 91 coordinates: [ 0.333333335000000, 0.666666665000000, 0.513930140000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 92 coordinates: [ 0.833333335000000, 0.666666665000000, 0.513930140000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.069513690000000 ] mass: 32.065000 reduced_to: 93 - symbol: S # 94 coordinates: [ 0.500000000000000, 0.000000000000000, 0.069513690000000 ] mass: 32.065000 reduced_to: 93 - symbol: S # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.069513690000000 ] mass: 32.065000 reduced_to: 93 - symbol: S # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.069513690000000 ] mass: 32.065000 reduced_to: 93 - symbol: S # 97 coordinates: [ 0.000000000000000, 0.000000000000000, 0.402742960000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 98 coordinates: [ 0.500000000000000, 0.000000000000000, 0.402742960000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 99 coordinates: [ 0.000000000000000, 0.500000000000000, 0.402742960000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 100 coordinates: [ 0.500000000000000, 0.500000000000000, 0.402742960000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 101 coordinates: [ 0.333333335000000, 0.166666665000000, 0.847236860000000 ] mass: 32.065000 reduced_to: 101 - symbol: S # 102 coordinates: [ 0.833333335000000, 0.166666665000000, 0.847236860000000 ] mass: 32.065000 reduced_to: 101 - symbol: S # 103 coordinates: [ 0.333333335000000, 0.666666665000000, 0.847236860000000 ] mass: 32.065000 reduced_to: 101 - symbol: S # 104 coordinates: [ 0.833333335000000, 0.666666665000000, 0.847236860000000 ] mass: 32.065000 reduced_to: 101 - symbol: S # 105 coordinates: [ 0.166666665000000, 0.333333335000000, 0.902766580000000 ] mass: 32.065000 reduced_to: 105 - symbol: S # 106 coordinates: [ 0.666666665000000, 0.333333335000000, 0.902766580000000 ] mass: 32.065000 reduced_to: 105 - symbol: S # 107 coordinates: [ 0.166666665000000, 0.833333335000000, 0.902766580000000 ] mass: 32.065000 reduced_to: 105 - symbol: S # 108 coordinates: [ 0.666666665000000, 0.833333335000000, 0.902766580000000 ] mass: 32.065000 reduced_to: 105 - symbol: S # 109 coordinates: [ 0.333333335000000, 0.166666665000000, 0.013832220000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 110 coordinates: [ 0.833333335000000, 0.166666665000000, 0.013832220000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 111 coordinates: [ 0.333333335000000, 0.666666665000000, 0.013832220000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 112 coordinates: [ 0.833333335000000, 0.666666665000000, 0.013832220000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 113 coordinates: [ 0.333333335000000, 0.166666665000000, 0.180541140000000 ] mass: 32.065000 reduced_to: 113 - symbol: S # 114 coordinates: [ 0.833333335000000, 0.166666665000000, 0.180541140000000 ] mass: 32.065000 reduced_to: 113 - symbol: S # 115 coordinates: [ 0.333333335000000, 0.666666665000000, 0.180541140000000 ] mass: 32.065000 reduced_to: 113 - symbol: S # 116 coordinates: [ 0.833333335000000, 0.666666665000000, 0.180541140000000 ] mass: 32.065000 reduced_to: 113 - symbol: S # 117 coordinates: [ 0.000000000000000, 0.000000000000000, 0.569455460000000 ] mass: 32.065000 reduced_to: 117 - symbol: S # 118 coordinates: [ 0.500000000000000, 0.000000000000000, 0.569455460000000 ] mass: 32.065000 reduced_to: 117 - symbol: S # 119 coordinates: [ 0.000000000000000, 0.500000000000000, 0.569455460000000 ] mass: 32.065000 reduced_to: 117 - symbol: S # 120 coordinates: [ 0.500000000000000, 0.500000000000000, 0.569455460000000 ] mass: 32.065000 reduced_to: 117 - symbol: S # 121 coordinates: [ 0.166666665000000, 0.333333335000000, 0.736190580000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 122 coordinates: [ 0.666666665000000, 0.333333335000000, 0.736190580000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 123 coordinates: [ 0.166666665000000, 0.833333335000000, 0.736190580000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 124 coordinates: [ 0.666666665000000, 0.833333335000000, 0.736190580000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 125 coordinates: [ 0.166666665000000, 0.333333335000000, 0.347221610000000 ] mass: 32.065000 reduced_to: 125 - symbol: S # 126 coordinates: [ 0.666666665000000, 0.333333335000000, 0.347221610000000 ] mass: 32.065000 reduced_to: 125 - symbol: S # 127 coordinates: [ 0.166666665000000, 0.833333335000000, 0.347221610000000 ] mass: 32.065000 reduced_to: 125 - symbol: S # 128 coordinates: [ 0.666666665000000, 0.833333335000000, 0.347221610000000 ] mass: 32.065000 reduced_to: 125 - symbol: S # 129 coordinates: [ 0.166666665000000, 0.333333335000000, 0.624978800000000 ] mass: 32.065000 reduced_to: 129 - symbol: S # 130 coordinates: [ 0.666666665000000, 0.333333335000000, 0.624978800000000 ] mass: 32.065000 reduced_to: 129 - symbol: S # 131 coordinates: [ 0.166666665000000, 0.833333335000000, 0.624978800000000 ] mass: 32.065000 reduced_to: 129 - symbol: S # 132 coordinates: [ 0.666666665000000, 0.833333335000000, 0.624978800000000 ] mass: 32.065000 reduced_to: 129 - symbol: S # 133 coordinates: [ 0.000000000000000, 0.000000000000000, 0.236053030000000 ] mass: 32.065000 reduced_to: 133 - symbol: S # 134 coordinates: [ 0.500000000000000, 0.000000000000000, 0.236053030000000 ] mass: 32.065000 reduced_to: 133 - symbol: S # 135 coordinates: [ 0.000000000000000, 0.500000000000000, 0.236053030000000 ] mass: 32.065000 reduced_to: 133 - symbol: S # 136 coordinates: [ 0.500000000000000, 0.500000000000000, 0.236053030000000 ] mass: 32.065000 reduced_to: 133 - symbol: S # 137 coordinates: [ 0.333333335000000, 0.166666665000000, 0.680508290000000 ] mass: 32.065000 reduced_to: 137 - symbol: S # 138 coordinates: [ 0.833333335000000, 0.166666665000000, 0.680508290000000 ] mass: 32.065000 reduced_to: 137 - symbol: S # 139 coordinates: [ 0.333333335000000, 0.666666665000000, 0.680508290000000 ] mass: 32.065000 reduced_to: 137 - symbol: S # 140 coordinates: [ 0.833333335000000, 0.666666665000000, 0.680508290000000 ] mass: 32.065000 reduced_to: 137 - symbol: S # 141 coordinates: [ 0.000000000000000, 0.000000000000000, 0.791709930000000 ] mass: 32.065000 reduced_to: 141 - symbol: S # 142 coordinates: [ 0.500000000000000, 0.000000000000000, 0.791709930000000 ] mass: 32.065000 reduced_to: 141 - symbol: S # 143 coordinates: [ 0.000000000000000, 0.500000000000000, 0.791709930000000 ] mass: 32.065000 reduced_to: 141 - symbol: S # 144 coordinates: [ 0.500000000000000, 0.500000000000000, 0.791709930000000 ] mass: 32.065000 reduced_to: 141displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0718638700000000, -0.0010338200000000, -0.0009816200000000 ] - [ 0.0113370700000000, 0.0000472100000000, -0.0004044200000000 ] - [ -0.0006145900000000, -0.0068867100000000, 0.0027687900000000 ] - [ -0.0005987700000000, 0.0068865900000000, -0.0035906700000000 ] - [ -0.0000182400000000, -0.0002159900000000, 0.0004165200000000 ] - [ -0.0000174200000000, 0.0002336300000000, 0.0002639800000000 ] - [ -0.0005134300000000, 0.0000088200000000, 0.0003402900000000 ] - [ 0.0003715500000000, 0.0000093100000000, 0.0003404500000000 ] - [ 0.0000144300000000, -0.0000089000000000, 0.0000055100000000 ] - [ 0.0000177000000000, -0.0000088800000000, 0.0000058400000000 ] - [ 0.0000156900000000, -0.0000098800000000, 0.0000022100000000 ] - [ 0.0000158100000000, -0.0000076300000000, 0.0000093600000000 ] - [ 0.0000729000000000, -0.0000082800000000, 0.0004525900000000 ] - [ -0.0000375400000000, -0.0000083300000000, 0.0004526000000000 ] - [ 0.0000144900000000, 0.0000256100000000, 0.0004911400000000 ] - [ 0.0000143500000000, -0.0000419200000000, 0.0004138200000000 ] - [ 0.0003727600000000, 0.0000096400000000, 0.0004000100000000 ] - [ -0.0005176700000000, 0.0000092000000000, 0.0003963200000000 ] - [ -0.0000185500000000, 0.0002355300000000, 0.0008958800000000 ] - [ -0.0000198200000000, -0.0002170500000000, -0.0000976000000000 ] - [ -0.0000140100000000, 0.0000104800000000, 0.0001946600000000 ] - [ -0.0000142500000000, 0.0000099600000000, 0.0001949300000000 ] - [ -0.0000137300000000, 0.0000100900000000, 0.0001947500000000 ] - [ -0.0000146300000000, 0.0000098800000000, 0.0001947800000000 ] - [ -0.0003029800000000, -0.0000764500000000, 0.0060151300000000 ] - [ -0.0003146400000000, 0.0000938000000000, -0.0063318000000000 ] - [ 0.0005413400000000, 0.0000107300000000, -0.0001567400000000 ] - [ -0.0001613300000000, 0.0000087500000000, -0.0001649200000000 ] - [ 0.0000277300000000, 0.0000101300000000, -0.0001857600000000 ] - [ -0.0000560900000000, 0.0000095500000000, -0.0001871800000000 ] - [ -0.0000182400000000, 0.0000314600000000, -0.0000235200000000 ] - [ -0.0000196200000000, -0.0000114600000000, -0.0003502700000000 ] - [ 0.0000163900000000, -0.0000094900000000, 0.0003622100000000 ] - [ 0.0000169200000000, -0.0000080400000000, 0.0003624800000000 ] - [ 0.0000151300000000, -0.0000085200000000, 0.0003623300000000 ] - [ 0.0000179200000000, -0.0000082200000000, 0.0003624500000000 ] - [ -0.0001608900000000, 0.0000059800000000, -0.0003243700000000 ] - [ 0.0005420300000000, 0.0000110700000000, -0.0003270900000000 ] - [ -0.0003104400000000, 0.0000895500000000, -0.0018037200000000 ] - [ -0.0003053100000000, -0.0000801300000000, 0.0011425200000000 ] - [ 0.0000143800000000, -0.0000085200000000, 0.0000117200000000 ] - [ 0.0000161000000000, -0.0000086600000000, 0.0000113800000000 ] - [ 0.0000160600000000, -0.0000083500000000, 0.0000113900000000 ] - [ 0.0000156600000000, -0.0000080700000000, 0.0000112900000000 ] - [ -0.0000121100000000, 0.0000089700000000, 0.0004640600000000 ] - [ -0.0000134500000000, 0.0000083800000000, 0.0004642800000000 ] - [ -0.0000130400000000, 0.0000083100000000, 0.0004641600000000 ] - [ -0.0000139300000000, 0.0000083600000000, 0.0004642400000000 ] - [ 0.0000153900000000, -0.0000080800000000, -0.0007308400000000 ] - [ 0.0000155200000000, -0.0000078600000000, -0.0007310300000000 ] - [ 0.0000151700000000, -0.0000077800000000, -0.0007306300000000 ] - [ 0.0000156400000000, -0.0000077100000000, -0.0007303800000000 ] - [ 0.0000161500000000, -0.0000133200000000, -0.0005347100000000 ] - [ 0.0000160100000000, -0.0000037500000000, -0.0004823200000000 ] - [ 0.0000068100000000, -0.0000084200000000, -0.0005089500000000 ] - [ 0.0000243800000000, -0.0000085000000000, -0.0005083600000000 ] - [ 0.0000157200000000, -0.0000088200000000, -0.0002809000000000 ] - [ 0.0000166300000000, -0.0000090300000000, -0.0002814000000000 ] - [ 0.0000162200000000, -0.0000082400000000, -0.0002804100000000 ] - [ 0.0000158400000000, -0.0000078800000000, -0.0002818500000000 ] - [ -0.0000145200000000, 0.0000090300000000, 0.0000572100000000 ] - [ -0.0000145800000000, 0.0000088400000000, 0.0000569100000000 ] - [ -0.0000151700000000, 0.0000086100000000, 0.0000570100000000 ] - [ -0.0000147200000000, 0.0000085800000000, 0.0000572400000000 ] - [ 0.0000166300000000, -0.0000091800000000, -0.0000793600000000 ] - [ 0.0000171500000000, -0.0000091400000000, -0.0000793000000000 ] - [ 0.0000167300000000, -0.0000088200000000, -0.0000793600000000 ] - [ 0.0000167700000000, -0.0000086900000000, -0.0000795900000000 ] - [ 0.0000137200000000, -0.0000090800000000, -0.0004983400000000 ] - [ 0.0000185000000000, -0.0000084900000000, -0.0004982900000000 ] - [ 0.0000155300000000, -0.0000106200000000, -0.0004981600000000 ] - [ 0.0000164500000000, -0.0000077200000000, -0.0004986300000000 ] - [ 0.0000031600000000, -0.0000015800000000, 0.0000389200000000 ] - [ 0.0000085500000000, -0.0000001600000000, 0.0000379900000000 ] - [ 0.0000044200000000, -0.0000076100000000, 0.0000392700000000 ] - [ 0.0000069200000000, -0.0000045700000000, 0.0000348700000000 ] - [ -0.0000060600000000, 0.0000013100000000, -0.0003698500000000 ] - [ -0.0000046500000000, 0.0000020100000000, -0.0003687600000000 ] - [ -0.0000055700000000, 0.0000046000000000, -0.0003711800000000 ] - [ -0.0000044700000000, 0.0000057200000000, -0.0003682800000000 ] - [ -0.0000076400000000, 0.0000048000000000, 0.0003272100000000 ] - [ -0.0000028500000000, 0.0000028000000000, 0.0003251400000000 ] - [ -0.0000034200000000, 0.0000008000000000, 0.0003276100000000 ] - [ -0.0000069700000000, 0.0000034000000000, 0.0003296200000000 ] - [ 0.0000414200000000, -0.0000020900000000, -0.0000253200000000 ] - [ -0.0000275400000000, -0.0000035300000000, -0.0000262900000000 ] - [ -0.0000219600000000, -0.0000010700000000, -0.0004793000000000 ] - [ -0.0000252800000000, -0.0000055100000000, 0.0004281400000000 ] - [ -0.0000068900000000, 0.0000019500000000, 0.0007791000000000 ] - [ -0.0000042100000000, 0.0000009800000000, 0.0007775500000000 ] - [ -0.0000047200000000, 0.0000051600000000, 0.0007770800000000 ] - [ -0.0000065200000000, 0.0000065600000000, 0.0007770700000000 ] - [ -0.0000112000000000, 0.0000003100000000, 0.0001244200000000 ] - [ 0.0000011500000000, 0.0000037900000000, 0.0001256700000000 ] - [ -0.0000085700000000, -0.0000000400000000, 0.0001260400000000 ] - [ -0.0000023900000000, 0.0000074200000000, 0.0001195900000000 ] - [ 0.0000074500000000, -0.0000035400000000, -0.0001524900000000 ] - [ 0.0000048500000000, -0.0000041800000000, -0.0001506500000000 ] - [ 0.0000066000000000, -0.0000019900000000, -0.0001495000000000 ] - [ 0.0000056100000000, -0.0000032700000000, -0.0001515600000000 ] - [ 0.0304788600000000, 0.0167731500000000, 0.0119236200000000 ] - [ 0.0292302300000000, -0.0158992500000000, -0.0108768900000000 ] - [ -0.0004651700000000, -0.0000051200000000, 0.0002111400000000 ] - [ 0.0015653800000000, 0.0001307800000000, 0.0001654200000000 ] - [ 0.0007009800000000, -0.0000035300000000, -0.0001999600000000 ] - [ -0.0015417800000000, -0.0000021800000000, -0.0001915900000000 ] - [ 0.0000009300000000, 0.0004009100000000, -0.0011251800000000 ] - [ 0.0000003200000000, -0.0004078000000000, 0.0007291900000000 ] - [ 0.0000036300000000, -0.0000167900000000, -0.0007373600000000 ] - [ 0.0000081300000000, 0.0000099300000000, -0.0008551800000000 ] - [ -0.0000231500000000, -0.0000045100000000, -0.0007965300000000 ] - [ 0.0000290800000000, -0.0000014800000000, -0.0007936900000000 ] - [ -0.0000045400000000, 0.0000022600000000, -0.0004775600000000 ] - [ -0.0000065000000000, 0.0000044500000000, -0.0004745900000000 ] - [ -0.0000075300000000, 0.0000044300000000, -0.0004737200000000 ] - [ -0.0000036500000000, 0.0000033600000000, -0.0004766200000000 ] - [ -0.0000028600000000, 0.0000040600000000, 0.0001498500000000 ] - [ -0.0000074300000000, 0.0000035300000000, 0.0001492800000000 ] - [ -0.0000048500000000, 0.0000040600000000, 0.0001484500000000 ] - [ -0.0000056200000000, 0.0000013900000000, 0.0001530300000000 ] - [ 0.0000162200000000, -0.0000049200000000, 0.0005001100000000 ] - [ -0.0000856300000000, -0.0000056200000000, 0.0004979700000000 ] - [ 0.0002804600000000, -0.0001541200000000, -0.0002177300000000 ] - [ 0.0002794000000000, 0.0001504200000000, 0.0012212200000000 ] - [ 0.0000067000000000, -0.0000018400000000, 0.0001920800000000 ] - [ 0.0000064700000000, -0.0000050100000000, 0.0001931500000000 ] - [ 0.0000095300000000, -0.0000028000000000, 0.0001940100000000 ] - [ 0.0000038900000000, -0.0000029500000000, 0.0001931600000000 ] - [ -0.0000157600000000, 0.0000038800000000, 0.0005273400000000 ] - [ 0.0000049500000000, 0.0000045500000000, 0.0005291600000000 ] - [ -0.0000046100000000, -0.0000044300000000, 0.0005355400000000 ] - [ -0.0000033300000000, 0.0000093200000000, 0.0005262200000000 ] - [ -0.0000075600000000, 0.0000034100000000, -0.0001604000000000 ] - [ -0.0000033900000000, 0.0000010900000000, -0.0001646000000000 ] - [ -0.0000033600000000, 0.0000031700000000, -0.0001596700000000 ] - [ -0.0000071100000000, 0.0000055200000000, -0.0001604500000000 ] - [ -0.0000059400000000, 0.0000335200000000, 0.0002402300000000 ] - [ -0.0000086300000000, -0.0000307000000000, 0.0003548200000000 ] - [ 0.0000915700000000, 0.0000067200000000, 0.0002952300000000 ] - [ -0.0000627700000000, 0.0000047900000000, 0.0002953500000000 ] - [ 0.0029845100000000, -0.0000064100000000, 0.0000220800000000 ] - [ -0.0011805700000000, -0.0000067200000000, -0.0001116400000000 ] - [ 0.0000359000000000, 0.0006961300000000, -0.0008174300000000 ] - [ 0.0000255600000000, -0.0007027500000000, 0.0005910600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0740600500000000 ] - [ 0.0000000000000000, -0.0036713300000000, -0.0065693600000000 ] - [ 0.0031794700000000, 0.0018356700000000, -0.0065693600000000 ] - [ -0.0031794700000000, 0.0018356700000000, -0.0065693600000000 ] - [ -0.0004939600000000, -0.0002851900000000, 0.0008538500000000 ] - [ 0.0004939600000000, -0.0002851900000000, 0.0008538500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005020800000000 ] - [ 0.0000000000000000, 0.0005703700000000, 0.0008538500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004521500000000 ] - [ 0.0000000000000000, -0.0000173900000000, 0.0004610300000000 ] - [ 0.0000150600000000, 0.0000087000000000, 0.0004610300000000 ] - [ -0.0000150600000000, 0.0000087000000000, 0.0004610300000000 ] - [ 0.0000000000000000, 0.0002061900000000, 0.0009031000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008069500000000 ] - [ 0.0001785600000000, -0.0001030900000000, 0.0009031000000000 ] - [ -0.0001785600000000, -0.0001030900000000, 0.0009031000000000 ] - [ 0.0000000000000000, -0.0000878500000000, 0.0009520700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005888400000000 ] - [ -0.0000760800000000, 0.0000439300000000, 0.0009520700000000 ] - [ 0.0000760800000000, 0.0000439300000000, 0.0009520700000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0006125800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006173400000000 ] - [ -0.0000001100000000, 0.0000000700000000, 0.0006125800000000 ] - [ 0.0000001100000000, 0.0000000700000000, 0.0006125800000000 ] - [ 0.0014864700000000, 0.0008582100000000, 0.0012602200000000 ] - [ -0.0014864700000000, 0.0008582100000000, 0.0012602200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009990400000000 ] - [ 0.0000000000000000, -0.0017164200000000, 0.0012602200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002259100000000 ] - [ 0.0000000000000000, -0.0000122200000000, 0.0002482000000000 ] - [ 0.0000105800000000, 0.0000061100000000, 0.0002482000000000 ] - [ -0.0000105800000000, 0.0000061100000000, 0.0002482000000000 ] - [ -0.0000047600000000, -0.0000027500000000, 0.0007719000000000 ] - [ 0.0000047600000000, -0.0000027500000000, 0.0007719000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007727800000000 ] - [ 0.0000000000000000, 0.0000054900000000, 0.0007719000000000 ] - [ 0.0000000000000000, -0.0071268900000000, 0.0010519900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011949200000000 ] - [ -0.0061720700000000, 0.0035634400000000, 0.0010519900000000 ] - [ 0.0061720700000000, 0.0035634400000000, 0.0010519900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004027000000000 ] - [ 0.0000000000000000, 0.0000016800000000, 0.0003988900000000 ] - [ -0.0000014500000000, -0.0000008400000000, 0.0003988900000000 ] - [ 0.0000014500000000, -0.0000008400000000, 0.0003988900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008503000000000 ] - [ 0.0000000000000000, -0.0000023000000000, 0.0008594500000000 ] - [ 0.0000019900000000, 0.0000011500000000, 0.0008594500000000 ] - [ -0.0000019900000000, 0.0000011500000000, 0.0008594500000000 ] - [ -0.0000004900000000, -0.0000002800000000, -0.0003016200000000 ] - [ 0.0000004900000000, -0.0000002800000000, -0.0003016200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003016900000000 ] - [ 0.0000000000000000, 0.0000005700000000, -0.0003016200000000 ] - [ 0.0000057100000000, 0.0000033000000000, -0.0001147800000000 ] - [ -0.0000057100000000, 0.0000033000000000, -0.0001147800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001155100000000 ] - [ 0.0000000000000000, -0.0000065900000000, -0.0001147800000000 ] - [ 0.0000000000000000, 0.0000030400000000, 0.0001513800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001475400000000 ] - [ 0.0000026300000000, -0.0000015200000000, 0.0001513800000000 ] - [ -0.0000026300000000, -0.0000015200000000, 0.0001513800000000 ] - [ -0.0000026300000000, -0.0000015200000000, 0.0004805800000000 ] - [ 0.0000026300000000, -0.0000015200000000, 0.0004805800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004793300000000 ] - [ 0.0000000000000000, 0.0000030400000000, 0.0004805800000000 ] - [ 0.0000000000000000, -0.0000003000000000, 0.0003073800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003053400000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0003073800000000 ] - [ 0.0000002600000000, 0.0000001500000000, 0.0003073800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001209100000000 ] - [ 0.0000000000000000, 0.0000009700000000, -0.0001221400000000 ] - [ -0.0000008400000000, -0.0000004800000000, -0.0001221400000000 ] - [ 0.0000008400000000, -0.0000004800000000, -0.0001221400000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0003950300000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0003950300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003836000000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0003950300000000 ] - [ 0.0000000000000000, 0.0000174900000000, -0.0008073100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008077500000000 ] - [ 0.0000151500000000, -0.0000087500000000, -0.0008073100000000 ] - [ -0.0000151500000000, -0.0000087500000000, -0.0008073100000000 ] - [ 0.0000000000000000, 0.0000150500000000, -0.0000973400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000957300000000 ] - [ 0.0000130300000000, -0.0000075200000000, -0.0000973400000000 ] - [ -0.0000130300000000, -0.0000075200000000, -0.0000973400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003369100000000 ] - [ 0.0000000000000000, -0.0000313400000000, -0.0004077500000000 ] - [ 0.0000271400000000, 0.0000156700000000, -0.0004077500000000 ] - [ -0.0000271400000000, 0.0000156700000000, -0.0004077500000000 ] - [ 0.0000066500000000, 0.0000038400000000, 0.0003802000000000 ] - [ -0.0000066500000000, 0.0000038400000000, 0.0003802000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003846900000000 ] - [ 0.0000000000000000, -0.0000076800000000, 0.0003802000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003278100000000 ] - [ 0.0000000000000000, -0.0000159000000000, -0.0003107100000000 ] - [ 0.0000137700000000, 0.0000079500000000, -0.0003107100000000 ] - [ -0.0000137700000000, 0.0000079500000000, -0.0003107100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006325400000000 ] - [ 0.0000000000000000, -0.0000082400000000, -0.0006189300000000 ] - [ 0.0000071400000000, 0.0000041200000000, -0.0006189300000000 ] - [ -0.0000071400000000, 0.0000041200000000, -0.0006189300000000 ] - [ 0.0127571700000000, 0.0073653500000000, 0.0101449600000000 ] - [ -0.0127571700000000, 0.0073653500000000, 0.0101449600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027191400000000 ] - [ 0.0000000000000000, -0.0147307100000000, 0.0101449600000000 ] - [ 0.0000000000000000, -0.0002575100000000, -0.0005658100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003794400000000 ] - [ -0.0002230100000000, 0.0001287500000000, -0.0005658100000000 ] - [ 0.0002230100000000, 0.0001287500000000, -0.0005658100000000 ] - [ -0.0000050600000000, -0.0000029200000000, -0.0012396100000000 ] - [ 0.0000050600000000, -0.0000029200000000, -0.0012396100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011968800000000 ] - [ 0.0000000000000000, 0.0000058400000000, -0.0012396100000000 ] - [ 0.0000006100000000, 0.0000003500000000, -0.0008146000000000 ] - [ -0.0000006100000000, 0.0000003500000000, -0.0008146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008305600000000 ] - [ 0.0000000000000000, -0.0000007100000000, -0.0008146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003092200000000 ] - [ 0.0000000000000000, 0.0000030200000000, -0.0002838500000000 ] - [ -0.0000026200000000, -0.0000015100000000, -0.0002838500000000 ] - [ 0.0000026200000000, -0.0000015100000000, -0.0002838500000000 ] - [ 0.0000000000000000, 0.0012588500000000, -0.0002606400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011286600000000 ] - [ 0.0010902000000000, -0.0006294300000000, -0.0002606400000000 ] - [ -0.0010902000000000, -0.0006294300000000, -0.0002606400000000 ] - [ 0.0000000000000000, 0.0000117700000000, -0.0001453100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001503000000000 ] - [ 0.0000102000000000, -0.0000058900000000, -0.0001453100000000 ] - [ -0.0000102000000000, -0.0000058900000000, -0.0001453100000000 ] - [ 0.0000000000000000, -0.0000394000000000, 0.0001406000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001675900000000 ] - [ -0.0000341200000000, 0.0000197000000000, 0.0001406000000000 ] - [ 0.0000341200000000, 0.0000197000000000, 0.0001406000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006079400000000 ] - [ 0.0000000000000000, 0.0000167900000000, -0.0006042100000000 ] - [ -0.0000145400000000, -0.0000083900000000, -0.0006042100000000 ] - [ 0.0000145400000000, -0.0000083900000000, -0.0006042100000000 ] - [ 0.0000412500000000, 0.0000238200000000, -0.0000273500000000 ] - [ -0.0000412500000000, 0.0000238200000000, -0.0000273500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005562700000000 ] - [ 0.0000000000000000, -0.0000476300000000, -0.0000273500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0456834800000000 ] - [ 0.0000000000000000, 0.0001172200000000, 0.0025124100000000 ] - [ -0.0001015100000000, -0.0000586100000000, 0.0025124100000000 ] - [ 0.0001015100000000, -0.0000586100000000, 0.0025124100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0768159100000000 ] - [ 0.0000000000000000, 0.0036762100000000, 0.0057501700000000 ] - [ -0.0031836900000000, -0.0018381000000000, 0.0057501700000000 ] - [ 0.0031836900000000, -0.0018381000000000, 0.0057501700000000 ] - [ 0.0004951500000000, 0.0002858700000000, -0.0002150600000000 ] - [ -0.0004951500000000, 0.0002858700000000, -0.0002150600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001228900000000 ] - [ 0.0000000000000000, -0.0005717500000000, -0.0002150600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003395100000000 ] - [ 0.0000000000000000, 0.0000118800000000, -0.0003506500000000 ] - [ -0.0000102900000000, -0.0000059400000000, -0.0003506500000000 ] - [ 0.0000102900000000, -0.0000059400000000, -0.0003506500000000 ] - [ 0.0000000000000000, -0.0001957300000000, -0.0000085700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000855400000000 ] - [ -0.0001695100000000, 0.0000978700000000, -0.0000085700000000 ] - [ 0.0001695100000000, 0.0000978700000000, -0.0000085700000000 ] - [ 0.0000000000000000, 0.0000826000000000, -0.0000971000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002569400000000 ] - [ 0.0000715400000000, -0.0000413000000000, -0.0000971000000000 ] - [ -0.0000715400000000, -0.0000413000000000, -0.0000971000000000 ] - [ 0.0000000000000000, 0.0000014800000000, -0.0002286400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002245700000000 ] - [ 0.0000012800000000, -0.0000007400000000, -0.0002286400000000 ] - [ -0.0000012800000000, -0.0000007400000000, -0.0002286400000000 ] - [ -0.0014634900000000, -0.0008449400000000, -0.0015672800000000 ] - [ 0.0014634900000000, -0.0008449400000000, -0.0015672800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006863400000000 ] - [ 0.0000000000000000, 0.0016898900000000, -0.0015672800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005930100000000 ] - [ 0.0000000000000000, 0.0000239100000000, -0.0006173800000000 ] - [ -0.0000207100000000, -0.0000119500000000, -0.0006173800000000 ] - [ 0.0000207100000000, -0.0000119500000000, -0.0006173800000000 ] - [ 0.0000086500000000, 0.0000049900000000, -0.0000516800000000 ] - [ -0.0000086500000000, 0.0000049900000000, -0.0000516800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000495200000000 ] - [ 0.0000000000000000, -0.0000099900000000, -0.0000516800000000 ] - [ 0.0000000000000000, 0.0071298800000000, -0.0017638800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005083800000000 ] - [ 0.0061746600000000, -0.0035649400000000, -0.0017638800000000 ] - [ -0.0061746600000000, -0.0035649400000000, -0.0017638800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004312000000000 ] - [ 0.0000000000000000, -0.0000013700000000, -0.0004231800000000 ] - [ 0.0000011900000000, 0.0000006900000000, -0.0004231800000000 ] - [ -0.0000011900000000, 0.0000006900000000, -0.0004231800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000378000000000 ] - [ 0.0000000000000000, 0.0000001800000000, 0.0000283200000000 ] - [ -0.0000001500000000, -0.0000000900000000, 0.0000283200000000 ] - [ 0.0000001500000000, -0.0000000900000000, 0.0000283200000000 ] - [ 0.0000006800000000, 0.0000004000000000, -0.0011448600000000 ] - [ -0.0000006800000000, 0.0000004000000000, -0.0011448600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011484200000000 ] - [ 0.0000000000000000, -0.0000007900000000, -0.0011448600000000 ] - [ 0.0000002000000000, 0.0000001200000000, -0.0009548900000000 ] - [ -0.0000002000000000, 0.0000001200000000, -0.0009548900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009359500000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0009548900000000 ] - [ 0.0000000000000000, 0.0000065200000000, -0.0006411000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006405700000000 ] - [ 0.0000056400000000, -0.0000032600000000, -0.0006411000000000 ] - [ -0.0000056400000000, -0.0000032600000000, -0.0006411000000000 ] - [ -0.0000020700000000, -0.0000012000000000, -0.0003195800000000 ] - [ 0.0000020700000000, -0.0000012000000000, -0.0003195800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003179800000000 ] - [ 0.0000000000000000, 0.0000023900000000, -0.0003195800000000 ] - [ 0.0000000000000000, 0.0000043300000000, -0.0005140900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005138700000000 ] - [ 0.0000037500000000, -0.0000021700000000, -0.0005140900000000 ] - [ -0.0000037500000000, -0.0000021700000000, -0.0005140900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009449100000000 ] - [ 0.0000000000000000, -0.0000061900000000, -0.0009495300000000 ] - [ 0.0000053600000000, 0.0000030900000000, -0.0009495300000000 ] - [ -0.0000053600000000, 0.0000030900000000, -0.0009495300000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0004392700000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0004392700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004488900000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0004392700000000 ] - [ 0.0000000000000000, 0.0000035000000000, 0.0000339800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000320600000000 ] - [ 0.0000030300000000, -0.0000017500000000, 0.0000339800000000 ] - [ -0.0000030300000000, -0.0000017500000000, 0.0000339800000000 ] - [ 0.0000000000000000, 0.0000030600000000, 0.0007372200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007397400000000 ] - [ 0.0000026500000000, -0.0000015300000000, 0.0007372200000000 ] - [ -0.0000026500000000, -0.0000015300000000, 0.0007372200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003895000000000 ] - [ 0.0000000000000000, 0.0000506800000000, 0.0004480300000000 ] - [ -0.0000438900000000, -0.0000253400000000, 0.0004480300000000 ] - [ 0.0000438900000000, -0.0000253400000000, 0.0004480300000000 ] - [ -0.0000012300000000, -0.0000007100000000, 0.0012244100000000 ] - [ 0.0000012300000000, -0.0000007100000000, 0.0012244100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012264900000000 ] - [ 0.0000000000000000, 0.0000014200000000, 0.0012244100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005340100000000 ] - [ 0.0000000000000000, -0.0000134700000000, 0.0005356400000000 ] - [ 0.0000116700000000, 0.0000067400000000, 0.0005356400000000 ] - [ -0.0000116700000000, 0.0000067400000000, 0.0005356400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002210400000000 ] - [ 0.0000000000000000, -0.0000046800000000, 0.0002289400000000 ] - [ 0.0000040600000000, 0.0000023400000000, 0.0002289400000000 ] - [ -0.0000040600000000, 0.0000023400000000, 0.0002289400000000 ] - [ -0.0127133700000000, -0.0073400700000000, -0.0097998500000000 ] - [ 0.0127133700000000, -0.0073400700000000, -0.0097998500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022807300000000 ] - [ 0.0000000000000000, 0.0146801300000000, -0.0097998500000000 ] - [ 0.0000000000000000, 0.0002665100000000, 0.0001008500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007956900000000 ] - [ 0.0002308100000000, -0.0001332600000000, 0.0001008500000000 ] - [ -0.0002308100000000, -0.0001332600000000, 0.0001008500000000 ] - [ -0.0000030000000000, -0.0000017300000000, -0.0003839100000000 ] - [ 0.0000030000000000, -0.0000017300000000, -0.0003839100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004002600000000 ] - [ 0.0000000000000000, 0.0000034600000000, -0.0003839100000000 ] - [ -0.0000019200000000, -0.0000011100000000, -0.0000401700000000 ] - [ 0.0000019200000000, -0.0000011100000000, -0.0000401700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000461700000000 ] - [ 0.0000000000000000, 0.0000022100000000, -0.0000401700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005640400000000 ] - [ 0.0000000000000000, -0.0000032700000000, 0.0005415400000000 ] - [ 0.0000028300000000, 0.0000016300000000, 0.0005415400000000 ] - [ -0.0000028300000000, 0.0000016300000000, 0.0005415400000000 ] - [ 0.0000000000000000, -0.0012056700000000, 0.0012488900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000679600000000 ] - [ -0.0010441400000000, 0.0006028400000000, 0.0012488900000000 ] - [ 0.0010441400000000, 0.0006028400000000, 0.0012488900000000 ] - [ 0.0000000000000000, 0.0000081600000000, 0.0006356600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006336400000000 ] - [ 0.0000070700000000, -0.0000040800000000, 0.0006356600000000 ] - [ -0.0000070700000000, -0.0000040800000000, 0.0006356600000000 ] - [ 0.0000000000000000, 0.0000345600000000, 0.0009247000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008910600000000 ] - [ 0.0000299300000000, -0.0000172800000000, 0.0009247000000000 ] - [ -0.0000299300000000, -0.0000172800000000, 0.0009247000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002366300000000 ] - [ 0.0000000000000000, 0.0000114000000000, 0.0002454300000000 ] - [ -0.0000098800000000, -0.0000057000000000, 0.0002454300000000 ] - [ 0.0000098800000000, -0.0000057000000000, 0.0002454300000000 ] - [ -0.0000485600000000, -0.0000280400000000, 0.0005631700000000 ] - [ 0.0000485600000000, -0.0000280400000000, 0.0005631700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011402100000000 ] - [ 0.0000000000000000, 0.0000560800000000, 0.0005631700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0484552700000000 ] - [ 0.0000000000000000, -0.0000785400000000, -0.0027433500000000 ] - [ 0.0000680100000000, 0.0000392700000000, -0.0027433500000000 ] - [ -0.0000680100000000, 0.0000392700000000, -0.0027433500000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000186800000000, -0.0002155400000000, -0.0009006000000000 ] - [ -0.0000179400000000, 0.0002342600000000, 0.0000863400000000 ] - [ -0.0005141100000000, 0.0000097600000000, -0.0004099800000000 ] - [ 0.0003712200000000, 0.0000099100000000, -0.0004065100000000 ] - [ -0.0715525700000000, -0.0010336900000000, -0.0004466000000000 ] - [ 0.0112794900000000, 0.0000468200000000, 0.0003442900000000 ] - [ -0.0005984300000000, -0.0068445800000000, 0.0035716700000000 ] - [ -0.0005820600000000, 0.0068431500000000, -0.0028960500000000 ] - [ 0.0000132700000000, -0.0001723900000000, -0.0001064500000000 ] - [ 0.0000115800000000, 0.0001542300000000, 0.0001251700000000 ] - [ -0.0003972800000000, -0.0000076900000000, 0.0000089000000000 ] - [ 0.0002952100000000, -0.0000089200000000, 0.0000096400000000 ] - [ -0.0005401000000000, 0.0009081600000000, 0.0022449500000000 ] - [ -0.0005443500000000, -0.0009148500000000, -0.0013439500000000 ] - [ 0.0010366300000000, -0.0000032100000000, 0.0004565000000000 ] - [ -0.0007969600000000, -0.0000110500000000, 0.0004534500000000 ] - [ -0.0000160500000000, 0.0000174200000000, 0.0004254100000000 ] - [ -0.0000160900000000, 0.0000009600000000, 0.0003769700000000 ] - [ -0.0000018800000000, 0.0000093800000000, 0.0004010100000000 ] - [ -0.0000310900000000, 0.0000093500000000, 0.0004009800000000 ] - [ -0.0000149600000000, 0.0000101500000000, 0.0001967700000000 ] - [ -0.0000153000000000, 0.0000102000000000, 0.0001964500000000 ] - [ -0.0000151800000000, 0.0000102500000000, 0.0001965300000000 ] - [ -0.0000147700000000, 0.0000100100000000, 0.0001962800000000 ] - [ 0.0000275800000000, 0.0000096300000000, -0.0001591600000000 ] - [ -0.0000565600000000, 0.0000094600000000, -0.0001605700000000 ] - [ -0.0000191000000000, 0.0000313000000000, 0.0000025100000000 ] - [ -0.0000195000000000, -0.0000118500000000, -0.0003235900000000 ] - [ -0.0000160400000000, 0.0000115400000000, -0.0001776200000000 ] - [ -0.0000155100000000, 0.0000084900000000, -0.0001908300000000 ] - [ -0.0000132000000000, 0.0000098400000000, -0.0001844800000000 ] - [ -0.0000185700000000, 0.0000100900000000, -0.0001839400000000 ] - [ 0.0000196300000000, -0.0000089400000000, 0.0003616300000000 ] - [ 0.0000129400000000, -0.0000084900000000, 0.0003624000000000 ] - [ 0.0000104600000000, -0.0000096400000000, 0.0003466400000000 ] - [ 0.0000110800000000, -0.0000071400000000, 0.0003785300000000 ] - [ -0.0003125800000000, 0.0000965000000000, -0.0064657500000000 ] - [ -0.0003004800000000, -0.0000808100000000, 0.0058213600000000 ] - [ -0.0001530000000000, 0.0000077700000000, -0.0003293300000000 ] - [ 0.0005370500000000, 0.0000095100000000, -0.0003208600000000 ] - [ 0.0000152100000000, -0.0000078200000000, 0.0000105800000000 ] - [ 0.0000152900000000, -0.0000089000000000, 0.0000113600000000 ] - [ 0.0000159700000000, -0.0000084100000000, 0.0000109200000000 ] - [ 0.0000143500000000, -0.0000082700000000, 0.0000107600000000 ] - [ -0.0000141800000000, 0.0000087000000000, 0.0004633500000000 ] - [ -0.0000141100000000, 0.0000084800000000, 0.0004634500000000 ] - [ -0.0000138200000000, 0.0000084300000000, 0.0004636000000000 ] - [ -0.0000142500000000, 0.0000085000000000, 0.0004634000000000 ] - [ 0.0000137600000000, -0.0000080600000000, -0.0007283000000000 ] - [ 0.0000147700000000, -0.0000079800000000, -0.0007280000000000 ] - [ 0.0000145700000000, -0.0000077500000000, -0.0007278900000000 ] - [ 0.0000144300000000, -0.0000075200000000, -0.0007276700000000 ] - [ 0.0000153700000000, -0.0000081900000000, -0.0005091700000000 ] - [ 0.0000156600000000, -0.0000086000000000, -0.0005091200000000 ] - [ 0.0000160000000000, -0.0000084500000000, -0.0005105100000000 ] - [ 0.0000154800000000, -0.0000084800000000, -0.0005077300000000 ] - [ 0.0000152400000000, -0.0000086200000000, -0.0002780000000000 ] - [ 0.0000158400000000, -0.0000086500000000, -0.0002779600000000 ] - [ 0.0000155700000000, -0.0000084000000000, -0.0002776600000000 ] - [ 0.0000156400000000, -0.0000080500000000, -0.0002779300000000 ] - [ -0.0000165100000000, 0.0000086500000000, 0.0000602100000000 ] - [ -0.0000154900000000, 0.0000088500000000, 0.0000604500000000 ] - [ -0.0000155400000000, 0.0000087600000000, 0.0000606100000000 ] - [ -0.0000154900000000, 0.0000087600000000, 0.0000604700000000 ] - [ 0.0000159300000000, -0.0000041300000000, -0.0000769100000000 ] - [ 0.0000163000000000, -0.0000140600000000, -0.0000802700000000 ] - [ 0.0000247800000000, -0.0000088200000000, -0.0000783600000000 ] - [ 0.0000065300000000, -0.0000086700000000, -0.0000785700000000 ] - [ 0.0000151200000000, -0.0000090900000000, -0.0004985900000000 ] - [ 0.0000156300000000, -0.0000085200000000, -0.0004989900000000 ] - [ 0.0000148300000000, -0.0000091800000000, -0.0004987900000000 ] - [ 0.0000159700000000, -0.0000089300000000, -0.0004989000000000 ] - [ 0.0000051500000000, -0.0000031900000000, 0.0000363800000000 ] - [ 0.0000053700000000, -0.0000033400000000, 0.0000359700000000 ] - [ 0.0000050900000000, -0.0000037100000000, 0.0000362400000000 ] - [ 0.0000048500000000, -0.0000035600000000, 0.0000355900000000 ] - [ -0.0000062100000000, 0.0000028000000000, -0.0003702200000000 ] - [ -0.0000056700000000, 0.0000036200000000, -0.0003697700000000 ] - [ -0.0000063100000000, 0.0000035100000000, -0.0003697800000000 ] - [ -0.0000051200000000, 0.0000039300000000, -0.0003706500000000 ] - [ -0.0000062300000000, 0.0000018800000000, 0.0003280400000000 ] - [ -0.0000057300000000, 0.0000040200000000, 0.0003293200000000 ] - [ -0.0000077000000000, 0.0000030500000000, 0.0003286200000000 ] - [ -0.0000032800000000, 0.0000030500000000, 0.0003293400000000 ] - [ 0.0000057200000000, 0.0000004100000000, -0.0000401500000000 ] - [ 0.0000042500000000, -0.0000047600000000, -0.0000064800000000 ] - [ 0.0000111100000000, -0.0000035800000000, -0.0000239600000000 ] - [ 0.0000001700000000, -0.0000043700000000, -0.0000229000000000 ] - [ -0.0000054000000000, 0.0000033100000000, 0.0007835200000000 ] - [ -0.0000075100000000, 0.0000032500000000, 0.0007818700000000 ] - [ -0.0000034300000000, 0.0000065000000000, 0.0007674600000000 ] - [ -0.0000038200000000, 0.0000017200000000, 0.0007970200000000 ] - [ -0.0000058500000000, 0.0000023600000000, 0.0001257000000000 ] - [ -0.0000056400000000, 0.0000034400000000, 0.0001258400000000 ] - [ -0.0000070100000000, 0.0000029500000000, 0.0001257400000000 ] - [ -0.0000048600000000, 0.0000028800000000, 0.0001247700000000 ] - [ 0.0000056500000000, -0.0000031100000000, -0.0001547900000000 ] - [ 0.0000051100000000, -0.0000033000000000, -0.0001541200000000 ] - [ 0.0000054900000000, -0.0000031200000000, -0.0001545100000000 ] - [ 0.0000052300000000, -0.0000033000000000, -0.0001543400000000 ] - [ 0.0000396400000000, -0.0000037100000000, 0.0002169500000000 ] - [ -0.0000270600000000, -0.0000019500000000, 0.0002159800000000 ] - [ -0.0000253500000000, -0.0000017500000000, -0.0002333900000000 ] - [ -0.0000231700000000, -0.0000049500000000, 0.0006672700000000 ] - [ 0.0000065600000000, 0.0000114400000000, -0.0002573800000000 ] - [ 0.0000045700000000, -0.0000179300000000, -0.0001427100000000 ] - [ 0.0000313800000000, -0.0000032600000000, -0.0002004500000000 ] - [ -0.0000255900000000, -0.0000041100000000, -0.0002009400000000 ] - [ 0.0000029700000000, -0.0000025900000000, -0.0007955900000000 ] - [ 0.0000071100000000, -0.0000036000000000, -0.0007950300000000 ] - [ 0.0000060900000000, -0.0000046100000000, -0.0007928500000000 ] - [ 0.0000045800000000, -0.0000019500000000, -0.0007978300000000 ] - [ -0.0000054400000000, 0.0000029500000000, -0.0004672100000000 ] - [ -0.0000068300000000, 0.0000041100000000, -0.0004671600000000 ] - [ -0.0000073400000000, 0.0000041000000000, -0.0004669700000000 ] - [ -0.0000053100000000, 0.0000035500000000, -0.0004675500000000 ] - [ -0.0000062100000000, 0.0000333000000000, 0.0001415500000000 ] - [ -0.0000086600000000, -0.0000257200000000, 0.0001538700000000 ] - [ 0.0001071500000000, 0.0000034600000000, 0.0001482000000000 ] - [ -0.0000585700000000, 0.0000020400000000, 0.0001486400000000 ] - [ 0.0289783600000000, -0.0157290000000000, -0.0105905200000000 ] - [ 0.0302160600000000, 0.0165934600000000, 0.0122177800000000 ] - [ 0.0016111700000000, 0.0001304200000000, 0.0004564000000000 ] - [ -0.0004361000000000, -0.0000056700000000, 0.0005038200000000 ] - [ 0.0000058600000000, -0.0000026800000000, 0.0002033900000000 ] - [ 0.0000059600000000, -0.0000032800000000, 0.0002044400000000 ] - [ 0.0000065100000000, -0.0000031800000000, 0.0002040200000000 ] - [ 0.0000053500000000, -0.0000032700000000, 0.0002041900000000 ] - [ 0.0003378100000000, -0.0003197600000000, 0.0011031000000000 ] - [ 0.0003373900000000, 0.0003266200000000, -0.0000348800000000 ] - [ -0.0002224800000000, 0.0000019500000000, 0.0005327500000000 ] - [ 0.0001620900000000, 0.0000028000000000, 0.0005345700000000 ] - [ -0.0000059700000000, 0.0000033400000000, -0.0001622400000000 ] - [ -0.0000061400000000, 0.0000030500000000, -0.0001627300000000 ] - [ -0.0000061600000000, 0.0000034400000000, -0.0001625100000000 ] - [ -0.0000060900000000, 0.0000035700000000, -0.0001619800000000 ] - [ 0.0036681100000000, -0.0000156100000000, 0.0004247800000000 ] - [ -0.0010700100000000, 0.0000018800000000, 0.0002951000000000 ] - [ 0.0000073200000000, 0.0006240900000000, -0.0004457300000000 ] - [ 0.0000050100000000, -0.0006188100000000, 0.0010314300000000 ] - [ -0.0000018700000000, -0.0004049300000000, 0.0008100200000000 ] - [ 0.0000009300000000, 0.0003978900000000, -0.0010283100000000 ] - [ -0.0015343900000000, -0.0000017300000000, -0.0000997500000000 ] - [ 0.0006946600000000, -0.0000016200000000, -0.0001122800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000766900000000, 0.0000442800000000, 0.0001212800000000 ] - [ -0.0000766900000000, 0.0000442800000000, 0.0001212800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002298800000000 ] - [ 0.0000000000000000, -0.0000885600000000, 0.0001212800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0725385300000000 ] - [ 0.0000000000000000, -0.0037388600000000, -0.0058660200000000 ] - [ 0.0032379400000000, 0.0018694300000000, -0.0058660200000000 ] - [ -0.0032379400000000, 0.0018694300000000, -0.0058660200000000 ] - [ 0.0005650900000000, 0.0003262600000000, 0.0005296900000000 ] - [ -0.0005650900000000, 0.0003262600000000, 0.0005296900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002011900000000 ] - [ 0.0000000000000000, -0.0006525100000000, 0.0005296900000000 ] - [ 0.0060773100000000, -0.0035087300000000, 0.0016595900000000 ] - [ -0.0060773100000000, -0.0035087300000000, 0.0016595900000000 ] - [ 0.0000000000000000, 0.0070174700000000, 0.0016595900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001017000000000 ] - [ -0.0000006800000000, 0.0000003900000000, 0.0008146900000000 ] - [ 0.0000006800000000, 0.0000003900000000, 0.0008146900000000 ] - [ 0.0000000000000000, -0.0000007900000000, 0.0008146900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008065200000000 ] - [ 0.0000016800000000, -0.0000009700000000, 0.0006102500000000 ] - [ -0.0000016800000000, -0.0000009700000000, 0.0006102500000000 ] - [ 0.0000000000000000, 0.0000019400000000, 0.0006102500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006117100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002359300000000 ] - [ 0.0000000000000000, -0.0000161100000000, 0.0002562000000000 ] - [ 0.0000139500000000, 0.0000080600000000, 0.0002562000000000 ] - [ -0.0000139500000000, 0.0000080600000000, 0.0002562000000000 ] - [ 0.0000005900000000, 0.0000003400000000, 0.0002294600000000 ] - [ -0.0000005900000000, 0.0000003400000000, 0.0002294600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002290600000000 ] - [ 0.0000000000000000, -0.0000006800000000, 0.0002294600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007715300000000 ] - [ 0.0000000000000000, 0.0001938600000000, 0.0007785700000000 ] - [ -0.0001678900000000, -0.0000969300000000, 0.0007785700000000 ] - [ 0.0001678900000000, -0.0000969300000000, 0.0007785700000000 ] - [ -0.0014640200000000, 0.0008452500000000, 0.0010914500000000 ] - [ 0.0014640200000000, 0.0008452500000000, 0.0010914500000000 ] - [ 0.0000000000000000, -0.0016905100000000, 0.0010914500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012009300000000 ] - [ -0.0000066800000000, -0.0000038500000000, 0.0004218400000000 ] - [ 0.0000066800000000, -0.0000038500000000, 0.0004218400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004217100000000 ] - [ 0.0000000000000000, 0.0000077100000000, 0.0004218400000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0008735100000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0008735100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008733000000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0008735100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003133800000000 ] - [ 0.0000000000000000, 0.0000002900000000, -0.0003154300000000 ] - [ -0.0000002500000000, -0.0000001400000000, -0.0003154300000000 ] - [ 0.0000002500000000, -0.0000001400000000, -0.0003154300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000944000000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0000985100000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0000985100000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0000985100000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0001329900000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0001329900000000 ] - [ 0.0000000000000000, -0.0000001800000000, 0.0001329900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001330800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004727100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004716500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004716500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004716500000000 ] - [ -0.0000263000000000, 0.0000151900000000, 0.0003359300000000 ] - [ 0.0000263000000000, 0.0000151900000000, 0.0003359300000000 ] - [ 0.0000000000000000, -0.0000303700000000, 0.0003359300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003279900000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0000864400000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0000864400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000863200000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0000864400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003879200000000 ] - [ 0.0000000000000000, -0.0000020400000000, -0.0003855500000000 ] - [ 0.0000017600000000, 0.0000010200000000, -0.0003855500000000 ] - [ -0.0000017600000000, 0.0000010200000000, -0.0003855500000000 ] - [ -0.0000008700000000, 0.0000005000000000, -0.0007902200000000 ] - [ 0.0000008700000000, 0.0000005000000000, -0.0007902200000000 ] - [ 0.0000000000000000, -0.0000010100000000, -0.0007902200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007897600000000 ] - [ 0.0000050100000000, -0.0000028900000000, -0.0000895000000000 ] - [ -0.0000050100000000, -0.0000028900000000, -0.0000895000000000 ] - [ 0.0000000000000000, 0.0000057800000000, -0.0000895000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001098600000000 ] - [ -0.0000007100000000, -0.0000004100000000, -0.0004258900000000 ] - [ 0.0000007100000000, -0.0000004100000000, -0.0004258900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004246200000000 ] - [ 0.0000000000000000, 0.0000008200000000, -0.0004258900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004227900000000 ] - [ 0.0000000000000000, -0.0000391300000000, 0.0003412000000000 ] - [ 0.0000338900000000, 0.0000195600000000, 0.0003412000000000 ] - [ -0.0000338900000000, 0.0000195600000000, 0.0003412000000000 ] - [ -0.0000018900000000, -0.0000010900000000, -0.0003006600000000 ] - [ 0.0000018900000000, -0.0000010900000000, -0.0003006600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003007200000000 ] - [ 0.0000000000000000, 0.0000021800000000, -0.0003006600000000 ] - [ 0.0000005000000000, 0.0000002900000000, -0.0005828300000000 ] - [ -0.0000005000000000, 0.0000002900000000, -0.0005828300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005790500000000 ] - [ 0.0000000000000000, -0.0000005800000000, -0.0005828300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001635800000000 ] - [ 0.0000000000000000, -0.0000479500000000, -0.0002270700000000 ] - [ 0.0000415300000000, 0.0000239800000000, -0.0002270700000000 ] - [ -0.0000415300000000, 0.0000239800000000, -0.0002270700000000 ] - [ -0.0000036100000000, 0.0000020800000000, -0.0006240100000000 ] - [ 0.0000036100000000, 0.0000020800000000, -0.0006240100000000 ] - [ 0.0000000000000000, -0.0000041700000000, -0.0006240100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005977800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012183500000000 ] - [ 0.0000000000000000, 0.0000003200000000, -0.0012189300000000 ] - [ -0.0000002800000000, -0.0000001600000000, -0.0012189300000000 ] - [ 0.0000002800000000, -0.0000001600000000, -0.0012189300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008683500000000 ] - [ 0.0000000000000000, -0.0000000700000000, -0.0008703800000000 ] - [ 0.0000000600000000, 0.0000000400000000, -0.0008703800000000 ] - [ -0.0000000600000000, 0.0000000400000000, -0.0008703800000000 ] - [ -0.0000830100000000, -0.0000479300000000, -0.0001364600000000 ] - [ 0.0000830100000000, -0.0000479300000000, -0.0001364600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006847300000000 ] - [ 0.0000000000000000, 0.0000958600000000, -0.0001364600000000 ] - [ -0.0126675300000000, 0.0073136000000000, 0.0103986700000000 ] - [ 0.0126675300000000, 0.0073136000000000, 0.0103986700000000 ] - [ 0.0000000000000000, -0.0146272100000000, 0.0103986700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031084200000000 ] - [ -0.0000020200000000, 0.0000011600000000, -0.0002008400000000 ] - [ 0.0000020200000000, 0.0000011600000000, -0.0002008400000000 ] - [ 0.0000000000000000, -0.0000023300000000, -0.0002008400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002005400000000 ] - [ -0.0010436500000000, 0.0006025500000000, -0.0002590500000000 ] - [ 0.0010436500000000, 0.0006025500000000, -0.0002590500000000 ] - [ 0.0000000000000000, -0.0012051000000000, -0.0002590500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012963200000000 ] - [ 0.0000031800000000, 0.0000018400000000, -0.0005866700000000 ] - [ -0.0000031800000000, 0.0000018400000000, -0.0005866700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005878500000000 ] - [ 0.0000000000000000, -0.0000036700000000, -0.0005866700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0453516100000000 ] - [ 0.0000000000000000, 0.0006465000000000, 0.0030137500000000 ] - [ -0.0005598900000000, -0.0003232500000000, 0.0030137500000000 ] - [ 0.0005598900000000, -0.0003232500000000, 0.0030137500000000 ] - [ 0.0002263300000000, 0.0001306700000000, -0.0004336600000000 ] - [ -0.0002263300000000, 0.0001306700000000, -0.0004336600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004665300000000 ] - [ 0.0000000000000000, -0.0002613400000000, -0.0004336600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000755600000000, -0.0000436200000000, -0.0009308600000000 ] - [ 0.0000755600000000, -0.0000436200000000, -0.0009308600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005868900000000 ] - [ 0.0000000000000000, 0.0000872500000000, -0.0009308600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0755892300000000 ] - [ 0.0000000000000000, 0.0037254100000000, 0.0065563000000000 ] - [ -0.0032263000000000, -0.0018627100000000, 0.0065563000000000 ] - [ 0.0032263000000000, -0.0018627100000000, 0.0065563000000000 ] - [ -0.0005617000000000, -0.0003243000000000, -0.0005036600000000 ] - [ 0.0005617000000000, -0.0003243000000000, -0.0005036600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001772400000000 ] - [ 0.0000000000000000, 0.0006486000000000, -0.0005036600000000 ] - [ -0.0060818500000000, 0.0035113600000000, -0.0007807500000000 ] - [ 0.0060818500000000, 0.0035113600000000, -0.0007807500000000 ] - [ 0.0000000000000000, -0.0070227200000000, -0.0007807500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010078300000000 ] - [ 0.0000015300000000, -0.0000008900000000, -0.0000025400000000 ] - [ -0.0000015300000000, -0.0000008900000000, -0.0000025400000000 ] - [ 0.0000000000000000, 0.0000017700000000, -0.0000025400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000039600000000 ] - [ -0.0000008100000000, 0.0000004700000000, -0.0002163900000000 ] - [ 0.0000008100000000, 0.0000004700000000, -0.0002163900000000 ] - [ 0.0000000000000000, -0.0000009400000000, -0.0002163900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002183900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005542700000000 ] - [ 0.0000000000000000, 0.0000141200000000, -0.0005765300000000 ] - [ -0.0000122300000000, -0.0000070600000000, -0.0005765300000000 ] - [ 0.0000122300000000, -0.0000070600000000, -0.0005765300000000 ] - [ -0.0000006300000000, -0.0000003600000000, -0.0005960900000000 ] - [ 0.0000006300000000, -0.0000003600000000, -0.0005960900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005947700000000 ] - [ 0.0000000000000000, 0.0000007300000000, -0.0005960900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000453500000000 ] - [ 0.0000000000000000, -0.0001928100000000, -0.0000502500000000 ] - [ 0.0001669800000000, 0.0000964100000000, -0.0000502500000000 ] - [ -0.0001669800000000, 0.0000964100000000, -0.0000502500000000 ] - [ 0.0014408300000000, -0.0008318700000000, -0.0017345500000000 ] - [ -0.0014408300000000, -0.0008318700000000, -0.0017345500000000 ] - [ 0.0000000000000000, 0.0016637300000000, -0.0017345500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005413000000000 ] - [ 0.0000058500000000, 0.0000033800000000, -0.0003983900000000 ] - [ -0.0000058500000000, 0.0000033800000000, -0.0003983900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003973100000000 ] - [ 0.0000000000000000, -0.0000067600000000, -0.0003983900000000 ] - [ 0.0000001200000000, 0.0000000700000000, 0.0000539800000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0000539800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000543200000000 ] - [ 0.0000000000000000, -0.0000001400000000, 0.0000539800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011419100000000 ] - [ 0.0000000000000000, -0.0000005800000000, -0.0011359200000000 ] - [ 0.0000005000000000, 0.0000002900000000, -0.0011359200000000 ] - [ -0.0000005000000000, 0.0000002900000000, -0.0011359200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009235500000000 ] - [ 0.0000000000000000, 0.0000010100000000, -0.0009169000000000 ] - [ -0.0000008700000000, -0.0000005000000000, -0.0009169000000000 ] - [ 0.0000008700000000, -0.0000005000000000, -0.0009169000000000 ] - [ 0.0000007500000000, -0.0000004300000000, -0.0006814100000000 ] - [ -0.0000007500000000, -0.0000004300000000, -0.0006814100000000 ] - [ 0.0000000000000000, 0.0000008600000000, -0.0006814100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006822100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003482300000000 ] - [ 0.0000000000000000, -0.0000006600000000, -0.0003419800000000 ] - [ 0.0000005700000000, 0.0000003300000000, -0.0003419800000000 ] - [ -0.0000005700000000, 0.0000003300000000, -0.0003419800000000 ] - [ 0.0000257900000000, -0.0000148900000000, -0.0004896000000000 ] - [ -0.0000257900000000, -0.0000148900000000, -0.0004896000000000 ] - [ 0.0000000000000000, 0.0000297800000000, -0.0004896000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004824300000000 ] - [ -0.0000007400000000, -0.0000004300000000, -0.0009120900000000 ] - [ 0.0000007400000000, -0.0000004300000000, -0.0009120900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009138800000000 ] - [ 0.0000000000000000, 0.0000008500000000, -0.0009120900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004389000000000 ] - [ 0.0000000000000000, -0.0000092200000000, 0.0004511900000000 ] - [ 0.0000079800000000, 0.0000046100000000, 0.0004511900000000 ] - [ -0.0000079800000000, 0.0000046100000000, 0.0004511900000000 ] - [ -0.0000061400000000, 0.0000035500000000, 0.0000314700000000 ] - [ 0.0000061400000000, 0.0000035500000000, 0.0000314700000000 ] - [ 0.0000000000000000, -0.0000070900000000, 0.0000314700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000359900000000 ] - [ -0.0000028500000000, 0.0000016500000000, 0.0007399000000000 ] - [ 0.0000028500000000, 0.0000016500000000, 0.0007399000000000 ] - [ 0.0000000000000000, -0.0000032900000000, 0.0007399000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007628700000000 ] - [ -0.0000152200000000, -0.0000087900000000, 0.0004330900000000 ] - [ 0.0000152200000000, -0.0000087900000000, 0.0004330900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004429700000000 ] - [ 0.0000000000000000, 0.0000175800000000, 0.0004330900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011419500000000 ] - [ 0.0000000000000000, 0.0000346900000000, 0.0012230300000000 ] - [ -0.0000300400000000, -0.0000173500000000, 0.0012230300000000 ] - [ 0.0000300400000000, -0.0000173500000000, 0.0012230300000000 ] - [ -0.0000097800000000, -0.0000056400000000, 0.0005291100000000 ] - [ 0.0000097800000000, -0.0000056400000000, 0.0005291100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005319700000000 ] - [ 0.0000000000000000, 0.0000112900000000, 0.0005291100000000 ] - [ -0.0000049200000000, -0.0000028400000000, 0.0002393700000000 ] - [ 0.0000049200000000, -0.0000028400000000, 0.0002393700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002337700000000 ] - [ 0.0000000000000000, 0.0000056900000000, 0.0002393700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005991100000000 ] - [ 0.0000000000000000, 0.0000470300000000, 0.0006618700000000 ] - [ -0.0000407300000000, -0.0000235100000000, 0.0006618700000000 ] - [ 0.0000407300000000, -0.0000235100000000, 0.0006618700000000 ] - [ 0.0000045700000000, -0.0000026400000000, 0.0002055500000000 ] - [ -0.0000045700000000, -0.0000026400000000, 0.0002055500000000 ] - [ 0.0000000000000000, 0.0000052700000000, 0.0002055500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001976800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003920000000000 ] - [ 0.0000000000000000, 0.0000048600000000, -0.0003826100000000 ] - [ -0.0000042000000000, -0.0000024300000000, -0.0003826100000000 ] - [ 0.0000042000000000, -0.0000024300000000, -0.0003826100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000044400000000 ] - [ 0.0000000000000000, -0.0000030100000000, -0.0000223600000000 ] - [ 0.0000026100000000, 0.0000015100000000, -0.0000223600000000 ] - [ -0.0000026100000000, 0.0000015100000000, -0.0000223600000000 ] - [ 0.0000822700000000, 0.0000475000000000, 0.0004227900000000 ] - [ -0.0000822700000000, 0.0000475000000000, 0.0004227900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009726800000000 ] - [ 0.0000000000000000, -0.0000950000000000, 0.0004227900000000 ] - [ 0.0125896600000000, -0.0072686400000000, -0.0094869300000000 ] - [ -0.0125896600000000, -0.0072686400000000, -0.0094869300000000 ] - [ 0.0000000000000000, 0.0145372900000000, -0.0094869300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021173300000000 ] - [ -0.0000074600000000, 0.0000043000000000, 0.0006577500000000 ] - [ 0.0000074600000000, 0.0000043000000000, 0.0006577500000000 ] - [ 0.0000000000000000, -0.0000086100000000, 0.0006577500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006577400000000 ] - [ 0.0010343900000000, -0.0005972100000000, 0.0013641800000000 ] - [ -0.0010343900000000, -0.0005972100000000, 0.0013641800000000 ] - [ 0.0000000000000000, 0.0011944100000000, 0.0013641800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001988800000000 ] - [ 0.0000137200000000, 0.0000079200000000, 0.0002464200000000 ] - [ -0.0000137200000000, 0.0000079200000000, 0.0002464200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002427700000000 ] - [ 0.0000000000000000, -0.0000158500000000, 0.0002464200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0473338900000000 ] - [ 0.0000000000000000, -0.0006253800000000, -0.0024254400000000 ] - [ 0.0005415900000000, 0.0003126900000000, -0.0024254400000000 ] - [ -0.0005415900000000, 0.0003126900000000, -0.0024254400000000 ] - [ -0.0002225600000000, -0.0001285000000000, 0.0002138700000000 ] - [ 0.0002225600000000, -0.0001285000000000, 0.0002138700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006758800000000 ] - [ 0.0000000000000000, 0.0002570000000000, 0.0002138700000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000148700000000, 0.0000091500000000, -0.0004105400000000 ] - [ -0.0000114100000000, 0.0000097000000000, -0.0004105100000000 ] - [ -0.0000139800000000, 0.0000076200000000, -0.0003982500000000 ] - [ -0.0000128900000000, 0.0000099400000000, -0.0004236200000000 ] - [ -0.0000161200000000, -0.0001547400000000, 0.0009018200000000 ] - [ -0.0000164600000000, 0.0001720300000000, -0.0002266600000000 ] - [ -0.0004261600000000, 0.0000080800000000, 0.0003343900000000 ] - [ 0.0002667300000000, 0.0000083300000000, 0.0003383900000000 ] - [ -0.0719342100000000, 0.0010276100000000, -0.0006618000000000 ] - [ 0.0113682300000000, -0.0000110400000000, 0.0000235100000000 ] - [ -0.0005692300000000, -0.0069000900000000, -0.0031567400000000 ] - [ -0.0005845800000000, 0.0068752400000000, 0.0031921800000000 ] - [ -0.0001282700000000, -0.0000076800000000, 0.0004505800000000 ] - [ 0.0005686300000000, -0.0000099400000000, 0.0004586400000000 ] - [ -0.0002712000000000, 0.0000782800000000, 0.0066226500000000 ] - [ -0.0002834400000000, -0.0000938300000000, -0.0057080300000000 ] - [ -0.0000150500000000, 0.0000088700000000, 0.0004095800000000 ] - [ -0.0000144600000000, 0.0000089700000000, 0.0004088900000000 ] - [ -0.0000149900000000, 0.0000086000000000, 0.0004090600000000 ] - [ -0.0000148700000000, 0.0000088100000000, 0.0004091600000000 ] - [ -0.0000290300000000, 0.0000095600000000, 0.0001954000000000 ] - [ 0.0000010400000000, 0.0000099100000000, 0.0001949100000000 ] - [ -0.0000139600000000, 0.0000008200000000, 0.0001990200000000 ] - [ -0.0000133600000000, 0.0000186300000000, 0.0001906100000000 ] - [ -0.0000137400000000, 0.0000087000000000, -0.0001628400000000 ] - [ -0.0000146800000000, 0.0000094400000000, -0.0001620100000000 ] - [ -0.0000150400000000, 0.0000095900000000, -0.0001619800000000 ] - [ -0.0000135900000000, 0.0000090700000000, -0.0001621300000000 ] - [ -0.0000153500000000, 0.0000087900000000, -0.0001820000000000 ] - [ -0.0000144700000000, 0.0000097500000000, -0.0001828800000000 ] - [ -0.0000155200000000, 0.0000097100000000, -0.0001825600000000 ] - [ -0.0000138400000000, 0.0000099700000000, -0.0001822700000000 ] - [ -0.0002793500000000, -0.0000900600000000, -0.0011206200000000 ] - [ -0.0002740600000000, 0.0000801400000000, 0.0018301200000000 ] - [ 0.0005730700000000, -0.0000117700000000, 0.0003582300000000 ] - [ -0.0001293100000000, -0.0000066000000000, 0.0003604700000000 ] - [ 0.0000365400000000, 0.0000081500000000, -0.0003307700000000 ] - [ -0.0000625000000000, 0.0000085300000000, -0.0003307200000000 ] - [ -0.0000166100000000, 0.0000383900000000, -0.0003582600000000 ] - [ -0.0000160100000000, -0.0000226200000000, -0.0003032200000000 ] - [ 0.0000590500000000, -0.0000089900000000, 0.0000075600000000 ] - [ -0.0000244700000000, -0.0000086200000000, 0.0000090900000000 ] - [ 0.0000125900000000, 0.0000127200000000, -0.0000047900000000 ] - [ 0.0000129000000000, -0.0000303200000000, 0.0000228800000000 ] - [ -0.0000122800000000, 0.0000079800000000, 0.0004606600000000 ] - [ -0.0000132600000000, 0.0000081300000000, 0.0004602400000000 ] - [ -0.0000129300000000, 0.0000085400000000, 0.0004605400000000 ] - [ -0.0000125000000000, 0.0000078800000000, 0.0004599800000000 ] - [ 0.0000160100000000, -0.0000077300000000, -0.0007277800000000 ] - [ 0.0000160400000000, -0.0000084500000000, -0.0007277700000000 ] - [ 0.0000165200000000, -0.0000084600000000, -0.0007277500000000 ] - [ 0.0000154300000000, -0.0000083900000000, -0.0007276700000000 ] - [ 0.0000169100000000, -0.0000088500000000, -0.0005122700000000 ] - [ 0.0000167300000000, -0.0000086000000000, -0.0005125100000000 ] - [ 0.0000166700000000, -0.0000090300000000, -0.0005120000000000 ] - [ 0.0000169900000000, -0.0000091200000000, -0.0005130300000000 ] - [ 0.0000173300000000, -0.0000087600000000, -0.0002720100000000 ] - [ 0.0000163800000000, -0.0000088300000000, -0.0002716600000000 ] - [ 0.0000168800000000, -0.0000086400000000, -0.0002713300000000 ] - [ 0.0000166500000000, -0.0000092900000000, -0.0002719000000000 ] - [ -0.0000138200000000, 0.0000074700000000, 0.0000637800000000 ] - [ -0.0000145000000000, 0.0000086000000000, 0.0000649300000000 ] - [ -0.0000153600000000, 0.0000089600000000, 0.0000644800000000 ] - [ -0.0000131700000000, 0.0000085700000000, 0.0000643100000000 ] - [ 0.0004050700000000, -0.0000092500000000, -0.0000843600000000 ] - [ -0.0004843400000000, -0.0000086000000000, -0.0000847600000000 ] - [ 0.0000129900000000, 0.0002162400000000, -0.0000094200000000 ] - [ 0.0000141500000000, -0.0002358100000000, -0.0001594400000000 ] - [ 0.0000157000000000, -0.0000090100000000, -0.0005049000000000 ] - [ 0.0000170500000000, -0.0000094400000000, -0.0005052300000000 ] - [ 0.0000168600000000, -0.0000098700000000, -0.0005055100000000 ] - [ 0.0000159700000000, -0.0000091600000000, -0.0005048900000000 ] - [ 0.0000064400000000, -0.0000039800000000, 0.0000324800000000 ] - [ 0.0000062900000000, -0.0000043200000000, 0.0000344800000000 ] - [ 0.0000065600000000, -0.0000035300000000, 0.0000332500000000 ] - [ 0.0000059000000000, -0.0000036100000000, 0.0000341300000000 ] - [ -0.0000043900000000, 0.0000032100000000, -0.0003728200000000 ] - [ -0.0000053000000000, 0.0000032200000000, -0.0003735600000000 ] - [ -0.0000046100000000, 0.0000029600000000, -0.0003740800000000 ] - [ -0.0000046100000000, 0.0000027300000000, -0.0003730400000000 ] - [ -0.0000724800000000, 0.0000025600000000, 0.0003262200000000 ] - [ 0.0001102600000000, 0.0000024700000000, 0.0003262900000000 ] - [ -0.0000069200000000, -0.0000351300000000, 0.0002691300000000 ] - [ -0.0000070600000000, 0.0000403500000000, 0.0003823400000000 ] - [ 0.0000072600000000, -0.0000031600000000, -0.0000182500000000 ] - [ 0.0000065600000000, -0.0000033800000000, -0.0000174600000000 ] - [ 0.0000070300000000, -0.0000036800000000, -0.0000175300000000 ] - [ 0.0000062200000000, -0.0000037000000000, -0.0000185300000000 ] - [ 0.0002713100000000, 0.0001590900000000, 0.0000625300000000 ] - [ 0.0002691800000000, -0.0001523700000000, 0.0014938100000000 ] - [ -0.0000945200000000, 0.0000037200000000, 0.0007782200000000 ] - [ 0.0000003500000000, 0.0000021900000000, 0.0007762400000000 ] - [ -0.0000044300000000, 0.0000030200000000, 0.0001214000000000 ] - [ -0.0000044400000000, 0.0000023800000000, 0.0001215200000000 ] - [ -0.0000041700000000, 0.0000022800000000, 0.0001213300000000 ] - [ -0.0000051300000000, 0.0000023100000000, 0.0001218200000000 ] - [ 0.0000019600000000, -0.0000035900000000, -0.0001552500000000 ] - [ 0.0000107200000000, -0.0000037900000000, -0.0001556300000000 ] - [ 0.0000086300000000, -0.0000050200000000, -0.0001790400000000 ] - [ 0.0000083600000000, -0.0000022500000000, -0.0001317500000000 ] - [ 0.0000062600000000, -0.0000060100000000, 0.0002151600000000 ] - [ 0.0000063000000000, -0.0000013400000000, 0.0002163800000000 ] - [ 0.0000033600000000, -0.0000035000000000, 0.0002153000000000 ] - [ 0.0000102000000000, -0.0000035000000000, 0.0002162400000000 ] - [ 0.0000074900000000, -0.0000038900000000, -0.0002018100000000 ] - [ 0.0000062800000000, -0.0000037400000000, -0.0002009400000000 ] - [ 0.0000070500000000, -0.0000038300000000, -0.0002005100000000 ] - [ 0.0000072600000000, -0.0000043600000000, -0.0002018000000000 ] - [ 0.0000069300000000, -0.0000037800000000, -0.0007977000000000 ] - [ 0.0000065100000000, -0.0000035400000000, -0.0007972800000000 ] - [ 0.0000063800000000, -0.0000036800000000, -0.0007975400000000 ] - [ 0.0000070300000000, -0.0000035100000000, -0.0007971100000000 ] - [ -0.0000053000000000, 0.0000035600000000, -0.0004617600000000 ] - [ -0.0000050700000000, 0.0000031400000000, -0.0004626900000000 ] - [ -0.0000046500000000, 0.0000030700000000, -0.0004621100000000 ] - [ -0.0000055700000000, 0.0000032500000000, -0.0004622200000000 ] - [ 0.0029743700000000, 0.0000070500000000, 0.0002833600000000 ] - [ -0.0011931000000000, 0.0000030100000000, 0.0001487300000000 ] - [ 0.0000181000000000, 0.0007047300000000, 0.0008514100000000 ] - [ 0.0000212800000000, -0.0006958700000000, -0.0005574900000000 ] - [ 0.0001649500000000, -0.0000045300000000, 0.0005008600000000 ] - [ -0.0001484700000000, -0.0000039300000000, 0.0005010600000000 ] - [ -0.0000146000000000, 0.0000993700000000, 0.0006396900000000 ] - [ -0.0000138100000000, -0.0001074300000000, 0.0003614200000000 ] - [ 0.0000102400000000, -0.0000036300000000, 0.0002032000000000 ] - [ 0.0000046600000000, -0.0000030100000000, 0.0002034200000000 ] - [ 0.0000065800000000, -0.0000019500000000, 0.0002017700000000 ] - [ 0.0000076400000000, -0.0000056600000000, 0.0002052300000000 ] - [ 0.0015519500000000, -0.0001319600000000, 0.0004926500000000 ] - [ -0.0004780200000000, 0.0000046000000000, 0.0005397600000000 ] - [ 0.0304806700000000, -0.0167818600000000, 0.0122776900000000 ] - [ 0.0292330900000000, 0.0159090700000000, -0.0105756700000000 ] - [ -0.0000048500000000, 0.0000029500000000, -0.0001639100000000 ] - [ -0.0000047600000000, 0.0000029600000000, -0.0001638600000000 ] - [ -0.0000047700000000, 0.0000028600000000, -0.0001643500000000 ] - [ -0.0000045200000000, 0.0000028400000000, -0.0001637000000000 ] - [ -0.0000075400000000, -0.0004142400000000, -0.0006547200000000 ] - [ -0.0000078800000000, 0.0004209800000000, 0.0012307700000000 ] - [ -0.0015900600000000, 0.0000016500000000, 0.0002951800000000 ] - [ 0.0007158100000000, 0.0000027700000000, 0.0002857000000000 ] - [ -0.0000116000000000, -0.0000035900000000, -0.0001103000000000 ] - [ 0.0000205500000000, -0.0000032400000000, -0.0001110600000000 ] - [ 0.0000061800000000, -0.0000117400000000, -0.0001499600000000 ] - [ 0.0000066200000000, 0.0000045200000000, -0.0000714100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000023800000000 ] - [ 0.0000000000000000, 0.0000068600000000, 0.0000065000000000 ] - [ -0.0000059400000000, -0.0000034300000000, 0.0000065000000000 ] - [ 0.0000059400000000, -0.0000034300000000, 0.0000065000000000 ] - [ -0.0001132900000000, -0.0000654100000000, 0.0008571000000000 ] - [ 0.0001132900000000, -0.0000654100000000, 0.0008571000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005230400000000 ] - [ 0.0000000000000000, 0.0001308100000000, 0.0008571000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0745399700000000 ] - [ 0.0000000000000000, 0.0036751900000000, -0.0061054900000000 ] - [ -0.0031828100000000, -0.0018375900000000, -0.0061054900000000 ] - [ 0.0031828100000000, -0.0018375900000000, -0.0061054900000000 ] - [ 0.0000000000000000, 0.0017227300000000, 0.0018750100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003840900000000 ] - [ 0.0014919300000000, -0.0008613700000000, 0.0018750100000000 ] - [ -0.0014919300000000, -0.0008613700000000, 0.0018750100000000 ] - [ 0.0000000000000000, -0.0000032200000000, 0.0008506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008506600000000 ] - [ -0.0000027900000000, 0.0000016100000000, 0.0008506400000000 ] - [ 0.0000027900000000, 0.0000016100000000, 0.0008506400000000 ] - [ 0.0000000000000000, 0.0000368200000000, 0.0006003500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006332200000000 ] - [ 0.0000318900000000, -0.0000184100000000, 0.0006003500000000 ] - [ -0.0000318900000000, -0.0000184100000000, 0.0006003500000000 ] - [ -0.0000011900000000, -0.0000006900000000, 0.0002557400000000 ] - [ 0.0000011900000000, -0.0000006900000000, 0.0002557400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002601000000000 ] - [ 0.0000000000000000, 0.0000013800000000, 0.0002557400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002335800000000 ] - [ 0.0000000000000000, 0.0000040900000000, 0.0002367200000000 ] - [ -0.0000035400000000, -0.0000020500000000, 0.0002367200000000 ] - [ 0.0000035400000000, -0.0000020500000000, 0.0002367200000000 ] - [ -0.0061707800000000, -0.0035627000000000, 0.0017538500000000 ] - [ 0.0061707800000000, -0.0035627000000000, 0.0017538500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004905000000000 ] - [ 0.0000000000000000, 0.0071254000000000, 0.0017538500000000 ] - [ 0.0000000000000000, -0.0000159500000000, 0.0000679400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001515700000000 ] - [ -0.0000138100000000, 0.0000079700000000, 0.0000679400000000 ] - [ 0.0000138100000000, 0.0000079700000000, 0.0000679400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003998300000000 ] - [ 0.0000000000000000, 0.0001857200000000, 0.0004199900000000 ] - [ -0.0001608400000000, -0.0000928600000000, 0.0004199900000000 ] - [ 0.0001608400000000, -0.0000928600000000, 0.0004199900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008794800000000 ] - [ 0.0000000000000000, 0.0000030600000000, 0.0008731600000000 ] - [ -0.0000026500000000, -0.0000015300000000, 0.0008731600000000 ] - [ 0.0000026500000000, -0.0000015300000000, 0.0008731600000000 ] - [ 0.0000014800000000, 0.0000008500000000, -0.0003122300000000 ] - [ -0.0000014800000000, 0.0000008500000000, -0.0003122300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003156400000000 ] - [ 0.0000000000000000, -0.0000017100000000, -0.0003122300000000 ] - [ -0.0000025300000000, -0.0000014600000000, -0.0001132100000000 ] - [ 0.0000025300000000, -0.0000014600000000, -0.0001132100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001090200000000 ] - [ 0.0000000000000000, 0.0000029300000000, -0.0001132100000000 ] - [ 0.0000000000000000, 0.0000045300000000, 0.0001743100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001779200000000 ] - [ 0.0000039300000000, -0.0000022700000000, 0.0001743100000000 ] - [ -0.0000039300000000, -0.0000022700000000, 0.0001743100000000 ] - [ 0.0000006900000000, 0.0000004000000000, 0.0005099500000000 ] - [ -0.0000006900000000, 0.0000004000000000, 0.0005099500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005158200000000 ] - [ 0.0000000000000000, -0.0000008000000000, 0.0005099500000000 ] - [ 0.0000000000000000, -0.0005715300000000, 0.0004428900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000851800000000 ] - [ -0.0004949600000000, 0.0002857700000000, 0.0004428900000000 ] - [ 0.0004949600000000, 0.0002857700000000, 0.0004428900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001010600000000 ] - [ 0.0000000000000000, -0.0000066000000000, -0.0000986300000000 ] - [ 0.0000057100000000, 0.0000033000000000, -0.0000986300000000 ] - [ -0.0000057100000000, 0.0000033000000000, -0.0000986300000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0003798400000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0003798400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003778700000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0003798400000000 ] - [ 0.0000000000000000, -0.0000069500000000, -0.0007719700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007737300000000 ] - [ -0.0000060200000000, 0.0000034800000000, -0.0007719700000000 ] - [ 0.0000060200000000, 0.0000034800000000, -0.0007719700000000 ] - [ 0.0000000000000000, 0.0000754200000000, 0.0000520700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004908900000000 ] - [ 0.0000653200000000, -0.0000377100000000, 0.0000520700000000 ] - [ -0.0000653200000000, -0.0000377100000000, 0.0000520700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004581800000000 ] - [ 0.0000000000000000, -0.0000052200000000, -0.0004551100000000 ] - [ 0.0000045200000000, 0.0000026100000000, -0.0004551100000000 ] - [ -0.0000045200000000, 0.0000026100000000, -0.0004551100000000 ] - [ 0.0010714800000000, 0.0006186200000000, 0.0000515600000000 ] - [ -0.0010714800000000, 0.0006186200000000, 0.0000515600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013937700000000 ] - [ 0.0000000000000000, -0.0012372300000000, 0.0000515600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002779000000000 ] - [ 0.0000000000000000, 0.0000034600000000, -0.0002760100000000 ] - [ -0.0000030000000000, -0.0000017300000000, -0.0002760100000000 ] - [ 0.0000030000000000, -0.0000017300000000, -0.0002760100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005120800000000 ] - [ 0.0000000000000000, -0.0000293000000000, -0.0005862900000000 ] - [ 0.0000253800000000, 0.0000146500000000, -0.0005862900000000 ] - [ -0.0000253800000000, 0.0000146500000000, -0.0005862900000000 ] - [ 0.0000019900000000, 0.0000011500000000, -0.0001868400000000 ] - [ -0.0000019900000000, 0.0000011500000000, -0.0001868400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002022000000000 ] - [ 0.0000000000000000, -0.0000023000000000, -0.0001868400000000 ] - [ 0.0000000000000000, 0.0000006300000000, -0.0006111400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006108000000000 ] - [ 0.0000005500000000, -0.0000003200000000, -0.0006111400000000 ] - [ -0.0000005500000000, -0.0000003200000000, -0.0006111400000000 ] - [ 0.0000008700000000, 0.0000005000000000, -0.0012112700000000 ] - [ -0.0000008700000000, 0.0000005000000000, -0.0012112700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012155100000000 ] - [ 0.0000000000000000, -0.0000010000000000, -0.0012112700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008995300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008995300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008925600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008995300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0459114300000000 ] - [ 0.0000000000000000, -0.0000905700000000, 0.0028044700000000 ] - [ 0.0000784300000000, 0.0000452800000000, 0.0028044700000000 ] - [ -0.0000784300000000, 0.0000452800000000, 0.0028044700000000 ] - [ 0.0000000000000000, -0.0000196500000000, 0.0001449800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000873200000000 ] - [ -0.0000170200000000, 0.0000098200000000, 0.0001449800000000 ] - [ 0.0000170200000000, 0.0000098200000000, 0.0001449800000000 ] - [ 0.0000000000000000, -0.0000085700000000, -0.0002195400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002182100000000 ] - [ -0.0000074200000000, 0.0000042900000000, -0.0002195400000000 ] - [ 0.0000074200000000, 0.0000042900000000, -0.0002195400000000 ] - [ 0.0000000000000000, 0.0147471800000000, 0.0104464900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030163800000000 ] - [ 0.0127714400000000, -0.0073735900000000, 0.0104464900000000 ] - [ -0.0127714400000000, -0.0073735900000000, 0.0104464900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005802700000000 ] - [ 0.0000000000000000, -0.0000023400000000, -0.0005777900000000 ] - [ 0.0000020300000000, 0.0000011700000000, -0.0005777900000000 ] - [ -0.0000020300000000, 0.0000011700000000, -0.0005777900000000 ] - [ -0.0002226500000000, -0.0001285500000000, -0.0000244200000000 ] - [ 0.0002226500000000, -0.0001285500000000, -0.0000244200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008912200000000 ] - [ 0.0000000000000000, 0.0002570900000000, -0.0000244200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004952500000000 ] - [ 0.0000000000000000, 0.0000001900000000, -0.0005236600000000 ] - [ -0.0000001700000000, -0.0000001000000000, -0.0005236600000000 ] - [ 0.0000001700000000, -0.0000001000000000, -0.0005236600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008177300000000 ] - [ 0.0000000000000000, -0.0000040900000000, -0.0008258600000000 ] - [ 0.0000035400000000, 0.0000020400000000, -0.0008258600000000 ] - [ -0.0000035400000000, 0.0000020400000000, -0.0008258600000000 ] - [ 0.0001155300000000, 0.0000667000000000, -0.0001836700000000 ] - [ -0.0001155300000000, 0.0000667000000000, -0.0001836700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001408400000000 ] - [ 0.0000000000000000, -0.0001334000000000, -0.0001836700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0772901900000000 ] - [ 0.0000000000000000, -0.0036602300000000, 0.0061642300000000 ] - [ 0.0031698500000000, 0.0018301200000000, 0.0061642300000000 ] - [ -0.0031698500000000, 0.0018301200000000, 0.0061642300000000 ] - [ 0.0000000000000000, -0.0016956500000000, -0.0009630800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012759000000000 ] - [ -0.0014684800000000, 0.0008478200000000, -0.0009630800000000 ] - [ 0.0014684800000000, 0.0008478200000000, -0.0009630800000000 ] - [ 0.0000000000000000, -0.0000001500000000, -0.0000115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000109600000000 ] - [ -0.0000001300000000, 0.0000000700000000, -0.0000115400000000 ] - [ 0.0000001300000000, 0.0000000700000000, -0.0000115400000000 ] - [ 0.0000000000000000, -0.0000342600000000, -0.0002187000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002508600000000 ] - [ -0.0000296700000000, 0.0000171300000000, -0.0002187000000000 ] - [ 0.0000296700000000, 0.0000171300000000, -0.0002187000000000 ] - [ -0.0000005700000000, -0.0000003300000000, -0.0005751800000000 ] - [ 0.0000005700000000, -0.0000003300000000, -0.0005751800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005780300000000 ] - [ 0.0000000000000000, 0.0000006500000000, -0.0005751800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006000200000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0006056000000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0006056000000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0006056000000000 ] - [ 0.0061752800000000, 0.0035653000000000, -0.0010677900000000 ] - [ -0.0061752800000000, 0.0035653000000000, -0.0010677900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011970600000000 ] - [ 0.0000000000000000, -0.0071306000000000, -0.0010677900000000 ] - [ 0.0000000000000000, 0.0000147800000000, -0.0007227100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008069200000000 ] - [ 0.0000128000000000, -0.0000073900000000, -0.0007227100000000 ] - [ -0.0000128000000000, -0.0000073900000000, -0.0007227100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003927100000000 ] - [ 0.0000000000000000, -0.0001878200000000, -0.0004094800000000 ] - [ 0.0001626500000000, 0.0000939100000000, -0.0004094800000000 ] - [ -0.0001626500000000, 0.0000939100000000, -0.0004094800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000477600000000 ] - [ 0.0000000000000000, -0.0000006700000000, 0.0000487500000000 ] - [ 0.0000005800000000, 0.0000003300000000, 0.0000487500000000 ] - [ -0.0000005800000000, 0.0000003300000000, 0.0000487500000000 ] - [ 0.0000001900000000, 0.0000001100000000, -0.0011494800000000 ] - [ -0.0000001900000000, 0.0000001100000000, -0.0011494800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011494900000000 ] - [ 0.0000000000000000, -0.0000002200000000, -0.0011494800000000 ] - [ -0.0000002900000000, -0.0000001700000000, -0.0009232300000000 ] - [ 0.0000002900000000, -0.0000001700000000, -0.0009232300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009234400000000 ] - [ 0.0000000000000000, 0.0000003400000000, -0.0009232300000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0006899700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006898600000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0006899700000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0006899700000000 ] - [ 0.0000002400000000, 0.0000001400000000, -0.0003524000000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0003524000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003551400000000 ] - [ 0.0000000000000000, -0.0000002800000000, -0.0003524000000000 ] - [ 0.0000000000000000, 0.0005726100000000, -0.0006139300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002577700000000 ] - [ 0.0004959000000000, -0.0002863100000000, -0.0006139300000000 ] - [ -0.0004959000000000, -0.0002863100000000, -0.0006139300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009119900000000 ] - [ 0.0000000000000000, -0.0000002200000000, -0.0009135900000000 ] - [ 0.0000001900000000, 0.0000001100000000, -0.0009135900000000 ] - [ -0.0000001900000000, 0.0000001100000000, -0.0009135900000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0004484600000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0004484600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004460500000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0004484600000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0000359100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000358300000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0000359100000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0000359100000000 ] - [ 0.0000000000000000, -0.0000776800000000, 0.0006112600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011504200000000 ] - [ -0.0000672700000000, 0.0000388400000000, 0.0006112600000000 ] - [ 0.0000672700000000, 0.0000388400000000, 0.0006112600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003941400000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0003917800000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0003917800000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0003917800000000 ] - [ -0.0010672000000000, -0.0006161500000000, 0.0015134900000000 ] - [ 0.0010672000000000, -0.0006161500000000, 0.0015134900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001821700000000 ] - [ 0.0000000000000000, 0.0012323000000000, 0.0015134900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005372600000000 ] - [ 0.0000000000000000, -0.0000002300000000, 0.0005350200000000 ] - [ 0.0000002000000000, 0.0000001200000000, 0.0005350200000000 ] - [ -0.0000002000000000, 0.0000001200000000, 0.0005350200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002004100000000 ] - [ 0.0000000000000000, 0.0000304200000000, 0.0002788800000000 ] - [ -0.0000263400000000, -0.0000152100000000, 0.0002788800000000 ] - [ 0.0000263400000000, -0.0000152100000000, 0.0002788800000000 ] - [ -0.0000011700000000, -0.0000006800000000, 0.0006239300000000 ] - [ 0.0000011700000000, -0.0000006800000000, 0.0006239300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006324000000000 ] - [ 0.0000000000000000, 0.0000013500000000, 0.0006239300000000 ] - [ 0.0000000000000000, -0.0000002200000000, 0.0002089200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002074200000000 ] - [ -0.0000001900000000, 0.0000001100000000, 0.0002089200000000 ] - [ 0.0000001900000000, 0.0000001100000000, 0.0002089200000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0003823700000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0003823700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003820700000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0003823700000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0000544300000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0000544300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000548000000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0000544300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0482138900000000 ] - [ 0.0000000000000000, 0.0000844100000000, -0.0024886600000000 ] - [ -0.0000731000000000, -0.0000422100000000, -0.0024886600000000 ] - [ 0.0000731000000000, -0.0000422100000000, -0.0024886600000000 ] - [ 0.0000000000000000, 0.0000128400000000, 0.0008673800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010930800000000 ] - [ 0.0000111200000000, -0.0000064200000000, 0.0008673800000000 ] - [ -0.0000111200000000, -0.0000064200000000, 0.0008673800000000 ] - [ 0.0000000000000000, 0.0000079000000000, 0.0006142000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006127500000000 ] - [ 0.0000068400000000, -0.0000039500000000, 0.0006142000000000 ] - [ -0.0000068400000000, -0.0000039500000000, 0.0006142000000000 ] - [ 0.0000000000000000, -0.0146716500000000, -0.0094736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019534400000000 ] - [ -0.0127060200000000, 0.0073358300000000, -0.0094736400000000 ] - [ 0.0127060200000000, 0.0073358300000000, -0.0094736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002520500000000 ] - [ 0.0000000000000000, 0.0000003700000000, 0.0002513200000000 ] - [ -0.0000003200000000, -0.0000001800000000, 0.0002513200000000 ] - [ 0.0000003200000000, -0.0000001800000000, 0.0002513200000000 ] - [ 0.0002206500000000, 0.0001273900000000, 0.0006134500000000 ] - [ -0.0002206500000000, 0.0001273900000000, 0.0006134500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002931400000000 ] - [ 0.0000000000000000, -0.0002547900000000, 0.0006134500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002757800000000 ] - [ 0.0000000000000000, -0.0000068000000000, 0.0003085700000000 ] - [ 0.0000058900000000, 0.0000034000000000, 0.0003085700000000 ] - [ -0.0000058900000000, 0.0000034000000000, 0.0003085700000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000428600000000, 0.0000089800000000, -0.0004071800000000 ] - [ -0.0000673900000000, 0.0000092100000000, -0.0004070900000000 ] - [ -0.0000157000000000, 0.0000427800000000, -0.0002320500000000 ] - [ -0.0000153400000000, -0.0000246300000000, -0.0005829900000000 ] - [ -0.0005657600000000, 0.0009196900000000, 0.0064230100000000 ] - [ -0.0005775900000000, -0.0009031700000000, -0.0057361100000000 ] - [ 0.0010069900000000, 0.0000082700000000, 0.0003354900000000 ] - [ -0.0008262400000000, 0.0000073300000000, 0.0003459100000000 ] - [ -0.0001286000000000, -0.0000063700000000, 0.0000142900000000 ] - [ 0.0005674300000000, -0.0000119500000000, 0.0000117500000000 ] - [ -0.0002752300000000, 0.0000808300000000, 0.0014878600000000 ] - [ -0.0002810200000000, -0.0000917900000000, -0.0014714000000000 ] - [ -0.0715261700000000, 0.0010259400000000, -0.0003808600000000 ] - [ 0.0114032600000000, -0.0000107000000000, 0.0004576900000000 ] - [ -0.0005722400000000, -0.0069214700000000, -0.0026679300000000 ] - [ -0.0005879400000000, 0.0068979000000000, 0.0035735000000000 ] - [ -0.0000177900000000, 0.0000089100000000, 0.0004039500000000 ] - [ -0.0000129800000000, 0.0000089800000000, 0.0004033200000000 ] - [ -0.0000157300000000, 0.0000071400000000, 0.0003962800000000 ] - [ -0.0000156700000000, 0.0000102900000000, 0.0004104400000000 ] - [ -0.0000179300000000, 0.0000095900000000, 0.0001958500000000 ] - [ -0.0000118600000000, 0.0000096900000000, 0.0001959800000000 ] - [ -0.0000146200000000, 0.0000081300000000, 0.0001970500000000 ] - [ -0.0000146500000000, 0.0000113300000000, 0.0001944400000000 ] - [ -0.0000147000000000, 0.0000003800000000, -0.0001904000000000 ] - [ -0.0000151600000000, 0.0000178200000000, -0.0001301600000000 ] - [ -0.0000300300000000, 0.0000094600000000, -0.0001601000000000 ] - [ -0.0000005400000000, 0.0000091800000000, -0.0001602500000000 ] - [ -0.0000159200000000, 0.0000094200000000, -0.0001847300000000 ] - [ -0.0000148100000000, 0.0000094900000000, -0.0001847500000000 ] - [ -0.0000155700000000, 0.0000094200000000, -0.0001863300000000 ] - [ -0.0000154400000000, 0.0000099100000000, -0.0001833000000000 ] - [ 0.0000118400000000, 0.0002173600000000, 0.0004380300000000 ] - [ 0.0000131000000000, -0.0002358200000000, 0.0002875700000000 ] - [ 0.0004049400000000, -0.0000090700000000, 0.0003629200000000 ] - [ -0.0004863800000000, -0.0000083600000000, 0.0003626300000000 ] - [ 0.0003965400000000, 0.0000085500000000, -0.0003272100000000 ] - [ -0.0004318100000000, 0.0000089600000000, -0.0003271300000000 ] - [ 0.0000193300000000, 0.0002685100000000, 0.0003591400000000 ] - [ 0.0000200100000000, -0.0002528000000000, -0.0010102700000000 ] - [ 0.0000294500000000, -0.0000088300000000, 0.0000118600000000 ] - [ 0.0000010300000000, -0.0000089200000000, 0.0000118600000000 ] - [ 0.0000157600000000, -0.0000007200000000, 0.0000124900000000 ] - [ 0.0000155900000000, -0.0000166200000000, 0.0000111400000000 ] - [ -0.0000136600000000, 0.0000080700000000, 0.0004638100000000 ] - [ -0.0000138000000000, 0.0000079900000000, 0.0004637400000000 ] - [ -0.0000136400000000, 0.0000081900000000, 0.0004637900000000 ] - [ -0.0000137800000000, 0.0000081300000000, 0.0004637000000000 ] - [ 0.0000152800000000, -0.0000080100000000, -0.0007285800000000 ] - [ 0.0000152400000000, -0.0000083100000000, -0.0007285000000000 ] - [ 0.0000155100000000, -0.0000083300000000, -0.0007283700000000 ] - [ 0.0000151200000000, -0.0000083500000000, -0.0007281400000000 ] - [ 0.0000160800000000, -0.0000086900000000, -0.0005086200000000 ] - [ 0.0000157900000000, -0.0000088300000000, -0.0005090400000000 ] - [ 0.0000160500000000, -0.0000089300000000, -0.0005088000000000 ] - [ 0.0000157100000000, -0.0000091100000000, -0.0005089400000000 ] - [ 0.0000153000000000, -0.0000090300000000, -0.0002753100000000 ] - [ 0.0000159700000000, -0.0000091800000000, -0.0002751800000000 ] - [ 0.0000159000000000, -0.0000088300000000, -0.0002749900000000 ] - [ 0.0000155100000000, -0.0000085200000000, -0.0002752100000000 ] - [ -0.0000149900000000, 0.0000080700000000, 0.0000619300000000 ] - [ -0.0000152500000000, 0.0000081100000000, 0.0000619200000000 ] - [ -0.0000151500000000, 0.0000087400000000, 0.0000619200000000 ] - [ -0.0000147700000000, 0.0000085900000000, 0.0000619500000000 ] - [ 0.0000584100000000, -0.0000096200000000, -0.0000803500000000 ] - [ -0.0000243700000000, -0.0000093800000000, -0.0000794100000000 ] - [ 0.0000128300000000, 0.0000122000000000, -0.0000937000000000 ] - [ 0.0000128800000000, -0.0000307800000000, -0.0000653000000000 ] - [ 0.0000157800000000, -0.0000091800000000, -0.0004993300000000 ] - [ 0.0000161800000000, -0.0000092300000000, -0.0004994900000000 ] - [ 0.0000159700000000, -0.0000096000000000, -0.0004996900000000 ] - [ 0.0000158800000000, -0.0000094200000000, -0.0004993800000000 ] - [ 0.0000023100000000, -0.0000017900000000, 0.0000402800000000 ] - [ 0.0000087100000000, -0.0000004900000000, 0.0000396300000000 ] - [ 0.0000041600000000, -0.0000084200000000, 0.0000404800000000 ] - [ 0.0000064500000000, -0.0000047500000000, 0.0000355000000000 ] - [ -0.0000056000000000, 0.0000013800000000, -0.0003682600000000 ] - [ -0.0000051200000000, 0.0000018200000000, -0.0003676700000000 ] - [ -0.0000056200000000, 0.0000041900000000, -0.0003685000000000 ] - [ -0.0000048900000000, 0.0000047400000000, -0.0003691000000000 ] - [ -0.0000148800000000, 0.0000038000000000, 0.0003300700000000 ] - [ 0.0000036800000000, 0.0000023200000000, 0.0003283600000000 ] - [ -0.0000018900000000, -0.0000018000000000, 0.0003067600000000 ] - [ -0.0000046300000000, 0.0000059300000000, 0.0003552200000000 ] - [ 0.0000056300000000, -0.0000053400000000, -0.0000198700000000 ] - [ 0.0000059900000000, -0.0000028500000000, -0.0000233600000000 ] - [ 0.0000042400000000, -0.0000031900000000, -0.0000208600000000 ] - [ 0.0000078600000000, -0.0000027300000000, -0.0000220100000000 ] - [ -0.0000092000000000, -0.0000365600000000, 0.0007211300000000 ] - [ -0.0000072600000000, 0.0000393200000000, 0.0008333500000000 ] - [ -0.0000739900000000, 0.0000046400000000, 0.0007760700000000 ] - [ 0.0001095100000000, 0.0000055800000000, 0.0007762800000000 ] - [ -0.0000046600000000, -0.0000007500000000, 0.0001260100000000 ] - [ -0.0000057000000000, 0.0000037600000000, 0.0001281200000000 ] - [ -0.0000092900000000, 0.0000037700000000, 0.0001258000000000 ] - [ -0.0000012800000000, 0.0000030500000000, 0.0001242600000000 ] - [ 0.0000062500000000, -0.0000042000000000, -0.0001473100000000 ] - [ 0.0000057800000000, -0.0000055900000000, -0.0001455500000000 ] - [ 0.0000068700000000, -0.0000021400000000, -0.0001476500000000 ] - [ 0.0000045100000000, -0.0000025600000000, -0.0001434000000000 ] - [ 0.0000073600000000, -0.0000192300000000, 0.0002852000000000 ] - [ 0.0000069100000000, 0.0000122900000000, 0.0001378600000000 ] - [ -0.0000199000000000, -0.0000035600000000, 0.0002105700000000 ] - [ 0.0000292100000000, -0.0000038200000000, 0.0002111200000000 ] - [ 0.0000009000000000, -0.0000047200000000, -0.0001946900000000 ] - [ 0.0000115700000000, -0.0000043600000000, -0.0001921800000000 ] - [ 0.0000059000000000, -0.0000067500000000, -0.0001730700000000 ] - [ 0.0000062500000000, 0.0000000500000000, -0.0002119500000000 ] - [ 0.0000031600000000, -0.0000007400000000, -0.0007945100000000 ] - [ 0.0000084300000000, -0.0000070600000000, -0.0007908300000000 ] - [ 0.0000111700000000, -0.0000051300000000, -0.0007933900000000 ] - [ 0.0000004200000000, -0.0000015000000000, -0.0007899200000000 ] - [ -0.0000048800000000, 0.0000026300000000, -0.0004754600000000 ] - [ -0.0000066500000000, 0.0000038800000000, -0.0004719400000000 ] - [ -0.0000069900000000, 0.0000037100000000, -0.0004707600000000 ] - [ -0.0000049700000000, 0.0000027800000000, -0.0004747800000000 ] - [ -0.0000016300000000, 0.0000026800000000, 0.0001494600000000 ] - [ -0.0000923000000000, 0.0000039700000000, 0.0001521000000000 ] - [ 0.0002687200000000, -0.0001545400000000, 0.0008698200000000 ] - [ 0.0002708000000000, 0.0001589300000000, -0.0005649400000000 ] - [ 0.0006599400000000, -0.0000060900000000, 0.0005031800000000 ] - [ -0.0008688800000000, -0.0000037100000000, 0.0005024600000000 ] - [ 0.0002011200000000, 0.0006169200000000, -0.0011046100000000 ] - [ 0.0002032200000000, -0.0006202600000000, 0.0021053600000000 ] - [ 0.0000068700000000, -0.0000022800000000, 0.0001912000000000 ] - [ 0.0000061900000000, -0.0000060200000000, 0.0001921700000000 ] - [ 0.0000100000000000, -0.0000025300000000, 0.0001947500000000 ] - [ 0.0000031900000000, -0.0000031300000000, 0.0001920800000000 ] - [ 0.0029564500000000, 0.0000078200000000, 0.0006672600000000 ] - [ -0.0012001400000000, 0.0000031700000000, 0.0005327900000000 ] - [ 0.0000178000000000, 0.0007081800000000, 0.0012280800000000 ] - [ 0.0000202000000000, -0.0006998200000000, -0.0001614500000000 ] - [ -0.0000086000000000, 0.0000036000000000, -0.0001572900000000 ] - [ -0.0000026000000000, -0.0000002400000000, -0.0001622100000000 ] - [ -0.0000025000000000, 0.0000022700000000, -0.0001578700000000 ] - [ -0.0000088000000000, 0.0000059700000000, -0.0001574200000000 ] - [ 0.0301578000000000, -0.0167452500000000, 0.0120060600000000 ] - [ 0.0289079100000000, 0.0158668400000000, -0.0107817600000000 ] - [ 0.0012960100000000, -0.0001275900000000, 0.0002517900000000 ] - [ -0.0004362200000000, 0.0000060800000000, 0.0002970200000000 ] - [ 0.0000729700000000, -0.0000037000000000, -0.0001145600000000 ] - [ -0.0000417500000000, -0.0000062600000000, -0.0001136600000000 ] - [ -0.0000050200000000, 0.0000445500000000, -0.0005867900000000 ] - [ -0.0000099000000000, -0.0000481700000000, 0.0003612900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000449100000000, 0.0000386900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000585000000000 ] - [ 0.0000388900000000, -0.0000224600000000, 0.0000386900000000 ] - [ -0.0000388900000000, -0.0000224600000000, 0.0000386900000000 ] - [ 0.0018097000000000, -0.0010448300000000, 0.0015667800000000 ] - [ -0.0018097000000000, -0.0010448300000000, 0.0015667800000000 ] - [ 0.0000000000000000, 0.0020896600000000, 0.0015667800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002118800000000 ] - [ 0.0000000000000000, 0.0071168000000000, 0.0014165800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008202500000000 ] - [ 0.0061633300000000, -0.0035584000000000, 0.0014165800000000 ] - [ -0.0061633300000000, -0.0035584000000000, 0.0014165800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0741797100000000 ] - [ 0.0000000000000000, 0.0036116800000000, -0.0056886000000000 ] - [ -0.0031278000000000, -0.0018058400000000, -0.0056886000000000 ] - [ 0.0031278000000000, -0.0018058400000000, -0.0056886000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008185200000000 ] - [ 0.0000000000000000, 0.0000022100000000, 0.0008250000000000 ] - [ -0.0000019100000000, -0.0000011000000000, 0.0008250000000000 ] - [ 0.0000019100000000, -0.0000011000000000, 0.0008250000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006158600000000 ] - [ 0.0000000000000000, -0.0000080600000000, 0.0006200300000000 ] - [ 0.0000069800000000, 0.0000040300000000, 0.0006200300000000 ] - [ -0.0000069800000000, 0.0000040300000000, 0.0006200300000000 ] - [ -0.0000042500000000, 0.0000024600000000, 0.0002512600000000 ] - [ 0.0000042500000000, 0.0000024600000000, 0.0002512600000000 ] - [ 0.0000000000000000, -0.0000049100000000, 0.0002512600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002836300000000 ] - [ 0.0000000000000000, -0.0000009800000000, 0.0002378400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002395200000000 ] - [ -0.0000008500000000, 0.0000004900000000, 0.0002378400000000 ] - [ 0.0000008500000000, 0.0000004900000000, 0.0002378400000000 ] - [ -0.0004966400000000, 0.0002867300000000, 0.0009033400000000 ] - [ 0.0004966400000000, 0.0002867300000000, 0.0009033400000000 ] - [ 0.0000000000000000, -0.0005734700000000, 0.0009033400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005436000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009128100000000 ] - [ 0.0000000000000000, -0.0000640500000000, -0.0001211400000000 ] - [ 0.0000554700000000, 0.0000320200000000, -0.0001211400000000 ] - [ -0.0000554700000000, 0.0000320200000000, -0.0001211400000000 ] - [ 0.0000000000000000, -0.0000274800000000, 0.0004329300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004252000000000 ] - [ -0.0000238000000000, 0.0000137400000000, 0.0004329300000000 ] - [ 0.0000238000000000, 0.0000137400000000, 0.0004329300000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0008821000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008821300000000 ] - [ -0.0000002200000000, 0.0000001300000000, 0.0008821000000000 ] - [ 0.0000002200000000, 0.0000001300000000, 0.0008821000000000 ] - [ -0.0000001800000000, 0.0000001000000000, -0.0003063300000000 ] - [ 0.0000001800000000, 0.0000001000000000, -0.0003063300000000 ] - [ 0.0000000000000000, -0.0000002100000000, -0.0003063300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003060800000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0000910800000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0000910800000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0000910800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000919000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001437000000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0001449500000000 ] - [ 0.0000001200000000, 0.0000000700000000, 0.0001449500000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0001449500000000 ] - [ 0.0000002300000000, -0.0000001300000000, 0.0004842800000000 ] - [ -0.0000002300000000, -0.0000001300000000, 0.0004842800000000 ] - [ 0.0000000000000000, 0.0000002600000000, 0.0004842800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003310500000000 ] - [ 0.0000000000000000, 0.0001887100000000, 0.0003467300000000 ] - [ -0.0001634300000000, -0.0000943600000000, 0.0003467300000000 ] - [ 0.0001634300000000, -0.0000943600000000, 0.0003467300000000 ] - [ 0.0000000000000000, 0.0000002000000000, -0.0000797000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000797400000000 ] - [ 0.0000001800000000, -0.0000001000000000, -0.0000797000000000 ] - [ -0.0000001800000000, -0.0000001000000000, -0.0000797000000000 ] - [ 0.0000000800000000, -0.0000000400000000, -0.0003880000000000 ] - [ -0.0000000800000000, -0.0000000400000000, -0.0003880000000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0003880000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003869800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007916300000000 ] - [ 0.0000000000000000, -0.0000009100000000, -0.0007910800000000 ] - [ 0.0000007900000000, 0.0000004600000000, -0.0007910800000000 ] - [ -0.0000007900000000, 0.0000004600000000, -0.0007910800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000407700000000 ] - [ 0.0000000000000000, -0.0000377300000000, -0.0001146900000000 ] - [ 0.0000326800000000, 0.0000188700000000, -0.0001146900000000 ] - [ -0.0000326800000000, 0.0000188700000000, -0.0001146900000000 ] - [ 0.0000000000000000, -0.0000014300000000, -0.0004297200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004320500000000 ] - [ -0.0000012400000000, 0.0000007200000000, -0.0004297200000000 ] - [ 0.0000012400000000, 0.0000007200000000, -0.0004297200000000 ] - [ 0.0000687800000000, -0.0000397100000000, 0.0004890100000000 ] - [ -0.0000687800000000, -0.0000397100000000, 0.0004890100000000 ] - [ 0.0000000000000000, 0.0000794200000000, 0.0004890100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000490500000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0003019700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002998100000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0003019700000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0003019700000000 ] - [ 0.0000000000000000, 0.0000036000000000, -0.0005770400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005979700000000 ] - [ 0.0000031200000000, -0.0000018000000000, -0.0005770400000000 ] - [ -0.0000031200000000, -0.0000018000000000, -0.0005770400000000 ] - [ -0.0000037700000000, 0.0000021800000000, -0.0001817200000000 ] - [ 0.0000037700000000, 0.0000021800000000, -0.0001817200000000 ] - [ 0.0000000000000000, -0.0000043500000000, -0.0001817200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002672100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006119500000000 ] - [ 0.0000000000000000, 0.0000026300000000, -0.0006208800000000 ] - [ -0.0000022800000000, -0.0000013100000000, -0.0006208800000000 ] - [ 0.0000022800000000, -0.0000013100000000, -0.0006208800000000 ] - [ 0.0000014500000000, -0.0000008400000000, -0.0012222400000000 ] - [ -0.0000014500000000, -0.0000008400000000, -0.0012222400000000 ] - [ 0.0000000000000000, 0.0000016800000000, -0.0012222400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012200200000000 ] - [ -0.0000004500000000, 0.0000002600000000, -0.0008753000000000 ] - [ 0.0000004500000000, 0.0000002600000000, -0.0008753000000000 ] - [ 0.0000000000000000, -0.0000005200000000, -0.0008753000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008750700000000 ] - [ 0.0000000000000000, -0.0012369300000000, -0.0005972500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007406600000000 ] - [ -0.0010712200000000, 0.0006184700000000, -0.0005972500000000 ] - [ 0.0010712200000000, 0.0006184700000000, -0.0005972500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004738600000000 ] - [ 0.0000000000000000, 0.0000870400000000, 0.0008631600000000 ] - [ -0.0000753800000000, -0.0000435200000000, 0.0008631600000000 ] - [ 0.0000753800000000, -0.0000435200000000, 0.0008631600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002035300000000 ] - [ 0.0000000000000000, 0.0000029900000000, -0.0002067000000000 ] - [ -0.0000025900000000, -0.0000014900000000, -0.0002067000000000 ] - [ 0.0000025900000000, -0.0000014900000000, -0.0002067000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0465466900000000 ] - [ 0.0000000000000000, -0.0000817800000000, 0.0031646400000000 ] - [ 0.0000708300000000, 0.0000408900000000, 0.0031646400000000 ] - [ -0.0000708300000000, 0.0000408900000000, 0.0031646400000000 ] - [ 0.0000000000000000, -0.0000006300000000, -0.0005883800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005881100000000 ] - [ -0.0000005400000000, 0.0000003100000000, -0.0005883800000000 ] - [ 0.0000005400000000, 0.0000003100000000, -0.0005883800000000 ] - [ 0.0129273100000000, -0.0074635800000000, 0.0101933100000000 ] - [ -0.0129273100000000, -0.0074635800000000, 0.0101933100000000 ] - [ 0.0000000000000000, 0.0149271700000000, 0.0101933100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027424700000000 ] - [ 0.0000000000000000, 0.0000950600000000, -0.0005942500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003772100000000 ] - [ 0.0000823300000000, -0.0000475300000000, -0.0005942500000000 ] - [ -0.0000823300000000, -0.0000475300000000, -0.0005942500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000440600000000, -0.0008475300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007500200000000 ] - [ -0.0000381600000000, 0.0000220300000000, -0.0008475300000000 ] - [ 0.0000381600000000, 0.0000220300000000, -0.0008475300000000 ] - [ -0.0017804200000000, 0.0010279300000000, -0.0008762400000000 ] - [ 0.0017804200000000, 0.0010279300000000, -0.0008762400000000 ] - [ 0.0000000000000000, -0.0020558500000000, -0.0008762400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008920300000000 ] - [ 0.0000000000000000, -0.0071189300000000, -0.0014159100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008427200000000 ] - [ -0.0061651700000000, 0.0035594600000000, -0.0014159100000000 ] - [ 0.0061651700000000, 0.0035594600000000, -0.0014159100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0772124500000000 ] - [ 0.0000000000000000, -0.0035988600000000, 0.0065963800000000 ] - [ 0.0031167100000000, 0.0017994300000000, 0.0065963800000000 ] - [ -0.0031167100000000, 0.0017994300000000, 0.0065963800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000014500000000 ] - [ 0.0000000000000000, 0.0000011100000000, -0.0000105900000000 ] - [ -0.0000009700000000, -0.0000005600000000, -0.0000105900000000 ] - [ 0.0000009700000000, -0.0000005600000000, -0.0000105900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002294800000000 ] - [ 0.0000000000000000, 0.0000082500000000, -0.0002294000000000 ] - [ -0.0000071500000000, -0.0000041300000000, -0.0002294000000000 ] - [ 0.0000071500000000, -0.0000041300000000, -0.0002294000000000 ] - [ 0.0000032700000000, -0.0000018900000000, -0.0005665700000000 ] - [ -0.0000032700000000, -0.0000018900000000, -0.0005665700000000 ] - [ 0.0000000000000000, 0.0000037700000000, -0.0005665700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005975800000000 ] - [ 0.0000000000000000, -0.0000031400000000, -0.0006093700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006098800000000 ] - [ -0.0000027200000000, 0.0000015700000000, -0.0006093700000000 ] - [ 0.0000027200000000, 0.0000015700000000, -0.0006093700000000 ] - [ 0.0004949800000000, -0.0002857800000000, -0.0001695200000000 ] - [ -0.0004949800000000, -0.0002857800000000, -0.0001695200000000 ] - [ 0.0000000000000000, 0.0005715600000000, -0.0001695200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001878300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015481800000000 ] - [ 0.0000000000000000, 0.0000653600000000, -0.0005283200000000 ] - [ -0.0000566000000000, -0.0000326800000000, -0.0005283200000000 ] - [ 0.0000566000000000, -0.0000326800000000, -0.0005283200000000 ] - [ 0.0000000000000000, 0.0000276200000000, -0.0003991400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003907400000000 ] - [ 0.0000239200000000, -0.0000138100000000, -0.0003991400000000 ] - [ -0.0000239200000000, -0.0000138100000000, -0.0003991400000000 ] - [ 0.0000000000000000, 0.0000008200000000, 0.0000561900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000557800000000 ] - [ 0.0000007100000000, -0.0000004100000000, 0.0000561900000000 ] - [ -0.0000007100000000, -0.0000004100000000, 0.0000561900000000 ] - [ 0.0000004200000000, -0.0000002500000000, -0.0011541500000000 ] - [ -0.0000004200000000, -0.0000002500000000, -0.0011541500000000 ] - [ 0.0000000000000000, 0.0000004900000000, -0.0011541500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011530200000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0009201600000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0009201600000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0009201600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009223900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006808000000000 ] - [ 0.0000000000000000, -0.0000018300000000, -0.0006812400000000 ] - [ 0.0000015800000000, 0.0000009100000000, -0.0006812400000000 ] - [ -0.0000015800000000, 0.0000009100000000, -0.0006812400000000 ] - [ -0.0000006100000000, 0.0000003500000000, -0.0003518300000000 ] - [ 0.0000006100000000, 0.0000003500000000, -0.0003518300000000 ] - [ 0.0000000000000000, -0.0000007100000000, -0.0003518300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003506100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004885700000000 ] - [ 0.0000000000000000, -0.0001890100000000, -0.0005014400000000 ] - [ 0.0001636900000000, 0.0000945000000000, -0.0005014400000000 ] - [ -0.0001636900000000, 0.0000945000000000, -0.0005014400000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0009138400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009131600000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0009138400000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0009138400000000 ] - [ -0.0000001900000000, 0.0000001100000000, 0.0004577800000000 ] - [ 0.0000001900000000, 0.0000001100000000, 0.0004577800000000 ] - [ 0.0000000000000000, -0.0000002200000000, 0.0004577800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004623500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000482800000000 ] - [ 0.0000000000000000, -0.0000034100000000, 0.0000448000000000 ] - [ 0.0000029500000000, 0.0000017100000000, 0.0000448000000000 ] - [ -0.0000029500000000, 0.0000017100000000, 0.0000448000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006890300000000 ] - [ 0.0000000000000000, 0.0000360300000000, 0.0007673500000000 ] - [ -0.0000312100000000, -0.0000180200000000, 0.0007673500000000 ] - [ 0.0000312100000000, -0.0000180200000000, 0.0007673500000000 ] - [ 0.0000000000000000, -0.0000051800000000, 0.0004154100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004226600000000 ] - [ -0.0000044900000000, 0.0000025900000000, 0.0004154100000000 ] - [ 0.0000044900000000, 0.0000025900000000, 0.0004154100000000 ] - [ -0.0000647800000000, 0.0000374000000000, 0.0010702500000000 ] - [ 0.0000647800000000, 0.0000374000000000, 0.0010702500000000 ] - [ 0.0000000000000000, -0.0000748000000000, 0.0010702500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016083600000000 ] - [ 0.0000000000000000, 0.0000006900000000, 0.0005375000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005419200000000 ] - [ 0.0000006000000000, -0.0000003400000000, 0.0005375000000000 ] - [ -0.0000006000000000, -0.0000003400000000, 0.0005375000000000 ] - [ 0.0000000000000000, -0.0000020600000000, 0.0002482900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002705100000000 ] - [ -0.0000017900000000, 0.0000010300000000, 0.0002482900000000 ] - [ 0.0000017900000000, 0.0000010300000000, 0.0002482900000000 ] - [ 0.0000022400000000, -0.0000012900000000, 0.0006167500000000 ] - [ -0.0000022400000000, -0.0000012900000000, 0.0006167500000000 ] - [ 0.0000000000000000, 0.0000025900000000, 0.0006167500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007019500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002066400000000 ] - [ 0.0000000000000000, -0.0000035500000000, 0.0002266700000000 ] - [ 0.0000030700000000, 0.0000017700000000, 0.0002266700000000 ] - [ -0.0000030700000000, 0.0000017700000000, 0.0002266700000000 ] - [ 0.0000044500000000, -0.0000025700000000, -0.0003781200000000 ] - [ -0.0000044500000000, -0.0000025700000000, -0.0003781200000000 ] - [ 0.0000000000000000, 0.0000051400000000, -0.0003781200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003753900000000 ] - [ -0.0000003600000000, 0.0000002100000000, -0.0000292700000000 ] - [ 0.0000003600000000, 0.0000002100000000, -0.0000292700000000 ] - [ 0.0000000000000000, -0.0000004200000000, -0.0000292700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000283800000000 ] - [ 0.0000000000000000, 0.0012264000000000, 0.0008907800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004308000000000 ] - [ 0.0010620900000000, -0.0006132000000000, 0.0008907800000000 ] - [ -0.0010620900000000, -0.0006132000000000, 0.0008907800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014740400000000 ] - [ 0.0000000000000000, -0.0000814800000000, 0.0001449100000000 ] - [ 0.0000705600000000, 0.0000407400000000, 0.0001449100000000 ] - [ -0.0000705600000000, 0.0000407400000000, 0.0001449100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006401100000000 ] - [ 0.0000000000000000, 0.0000018400000000, 0.0006392300000000 ] - [ -0.0000016000000000, -0.0000009200000000, 0.0006392300000000 ] - [ 0.0000016000000000, -0.0000009200000000, 0.0006392300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0480434700000000 ] - [ 0.0000000000000000, 0.0000726200000000, -0.0020543200000000 ] - [ -0.0000628900000000, -0.0000363100000000, -0.0020543200000000 ] - [ 0.0000628900000000, -0.0000363100000000, -0.0020543200000000 ] - [ 0.0000000000000000, -0.0000014600000000, 0.0002524000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002523600000000 ] - [ -0.0000012700000000, 0.0000007300000000, 0.0002524000000000 ] - [ 0.0000012700000000, 0.0000007300000000, 0.0002524000000000 ] - [ -0.0128594100000000, 0.0074243800000000, -0.0097032400000000 ] - [ 0.0128594100000000, 0.0074243800000000, -0.0097032400000000 ] - [ 0.0000000000000000, -0.0148487600000000, -0.0097032400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021556500000000 ] - [ 0.0000000000000000, -0.0000976700000000, 0.0003766700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001570700000000 ] - [ -0.0000845900000000, 0.0000488400000000, 0.0003766700000000 ] - [ 0.0000845900000000, 0.0000488400000000, 0.0003766700000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003734600000000, 0.0000095700000000, -0.0004072400000000 ] - [ -0.0005163000000000, 0.0000084100000000, -0.0004079400000000 ] - [ -0.0000171100000000, 0.0002360200000000, -0.0004826200000000 ] - [ -0.0000192100000000, -0.0002161400000000, -0.0003326500000000 ] - [ -0.0000139200000000, 0.0000167800000000, 0.0003384500000000 ] - [ -0.0000151600000000, 0.0000002600000000, 0.0003398800000000 ] - [ -0.0000003000000000, 0.0000097300000000, 0.0003392600000000 ] - [ -0.0000296600000000, 0.0000090200000000, 0.0003389600000000 ] - [ 0.0000162000000000, -0.0000088600000000, 0.0000070600000000 ] - [ 0.0000147100000000, -0.0000088700000000, 0.0000070500000000 ] - [ 0.0000153100000000, -0.0000082900000000, 0.0000069500000000 ] - [ 0.0000152500000000, -0.0000093600000000, 0.0000072800000000 ] - [ 0.0000134500000000, -0.0000083100000000, 0.0004582900000000 ] - [ 0.0000178200000000, -0.0000082700000000, 0.0004588500000000 ] - [ 0.0000154100000000, -0.0000096800000000, 0.0004572600000000 ] - [ 0.0000151700000000, -0.0000067700000000, 0.0004599800000000 ] - [ -0.0717756700000000, -0.0010343000000000, -0.0003930700000000 ] - [ 0.0113348300000000, 0.0000463600000000, 0.0004037500000000 ] - [ -0.0006160000000000, -0.0068869000000000, 0.0035751400000000 ] - [ -0.0006016700000000, 0.0068865100000000, -0.0027803500000000 ] - [ -0.0000122100000000, 0.0000105300000000, 0.0001986700000000 ] - [ -0.0000155200000000, 0.0000099400000000, 0.0001986600000000 ] - [ -0.0000143800000000, 0.0000104600000000, 0.0001990200000000 ] - [ -0.0000153000000000, 0.0000096200000000, 0.0001984200000000 ] - [ -0.0003120700000000, 0.0000912800000000, -0.0016377900000000 ] - [ -0.0003070800000000, -0.0000798000000000, 0.0013109800000000 ] - [ -0.0001613900000000, 0.0000071300000000, -0.0001572800000000 ] - [ 0.0005402700000000, 0.0000121200000000, -0.0001603800000000 ] - [ -0.0001608900000000, 0.0000103200000000, -0.0001842000000000 ] - [ 0.0005370100000000, 0.0000104200000000, -0.0001770900000000 ] - [ -0.0003142300000000, 0.0000950000000000, -0.0063437800000000 ] - [ -0.0003060900000000, -0.0000773800000000, 0.0059882400000000 ] - [ 0.0000156900000000, -0.0000091600000000, 0.0003629300000000 ] - [ 0.0000165400000000, -0.0000085500000000, 0.0003623500000000 ] - [ 0.0000155300000000, -0.0000084800000000, 0.0003629500000000 ] - [ 0.0000165700000000, -0.0000080400000000, 0.0003626600000000 ] - [ 0.0000281500000000, 0.0000091100000000, -0.0003256900000000 ] - [ -0.0000557500000000, 0.0000079200000000, -0.0003256300000000 ] - [ -0.0000174000000000, 0.0000298100000000, -0.0003108700000000 ] - [ -0.0000196800000000, -0.0000130700000000, -0.0003389900000000 ] - [ 0.0000150700000000, -0.0000082600000000, 0.0000108100000000 ] - [ 0.0000153400000000, -0.0000083600000000, 0.0000107600000000 ] - [ 0.0000157200000000, -0.0000087500000000, 0.0000108800000000 ] - [ 0.0000155100000000, -0.0000081200000000, 0.0000103600000000 ] - [ -0.0000140600000000, 0.0000089900000000, 0.0004642500000000 ] - [ -0.0000140700000000, 0.0000085900000000, 0.0004643200000000 ] - [ -0.0000138300000000, 0.0000083100000000, 0.0004651900000000 ] - [ -0.0000145000000000, 0.0000081300000000, 0.0004640000000000 ] - [ 0.0000150000000000, -0.0000075700000000, -0.0007250700000000 ] - [ 0.0000149300000000, -0.0000090100000000, -0.0007251700000000 ] - [ 0.0000162400000000, -0.0000074200000000, -0.0007248100000000 ] - [ 0.0000134300000000, -0.0000074900000000, -0.0007246700000000 ] - [ 0.0000131700000000, 0.0001553600000000, 0.0000567100000000 ] - [ 0.0000124300000000, -0.0001722600000000, -0.0010714700000000 ] - [ 0.0002965300000000, -0.0000083700000000, -0.0005072200000000 ] - [ -0.0003977100000000, -0.0000082900000000, -0.0005097700000000 ] - [ 0.0000131800000000, -0.0000087400000000, -0.0002798300000000 ] - [ 0.0000185200000000, -0.0000088800000000, -0.0002798500000000 ] - [ 0.0000154200000000, -0.0000098800000000, -0.0002920600000000 ] - [ 0.0000153900000000, -0.0000063500000000, -0.0002671200000000 ] - [ -0.0000147600000000, 0.0000090300000000, 0.0000590800000000 ] - [ -0.0000157300000000, 0.0000089100000000, 0.0000594000000000 ] - [ -0.0000151000000000, 0.0000088600000000, 0.0000597100000000 ] - [ -0.0000154500000000, 0.0000083100000000, 0.0000591800000000 ] - [ 0.0000172200000000, -0.0000097100000000, -0.0000781700000000 ] - [ 0.0000167500000000, -0.0000091400000000, -0.0000784500000000 ] - [ 0.0000159100000000, -0.0000087000000000, -0.0000777900000000 ] - [ 0.0000168800000000, -0.0000083000000000, -0.0000782000000000 ] - [ 0.0000648400000000, -0.0000088900000000, -0.0004981000000000 ] - [ -0.0000325100000000, -0.0000084300000000, -0.0004981600000000 ] - [ 0.0000124500000000, 0.0000208000000000, -0.0004706300000000 ] - [ 0.0000133700000000, -0.0000393500000000, -0.0005258600000000 ] - [ 0.0000003000000000, -0.0000005000000000, 0.0000463400000000 ] - [ 0.0000104800000000, 0.0000016800000000, 0.0000437600000000 ] - [ 0.0000033000000000, -0.0000103800000000, 0.0000463700000000 ] - [ 0.0000069000000000, -0.0000046000000000, 0.0000388500000000 ] - [ -0.0000278000000000, -0.0000005600000000, -0.0003600200000000 ] - [ 0.0000112400000000, 0.0000017500000000, -0.0003586100000000 ] - [ -0.0000077500000000, -0.0000040100000000, -0.0003192700000000 ] - [ -0.0000041100000000, 0.0000166200000000, -0.0004018900000000 ] - [ -0.0000107100000000, 0.0000051800000000, 0.0003317700000000 ] - [ -0.0000011100000000, 0.0000024700000000, 0.0003271500000000 ] - [ -0.0000034400000000, -0.0000006300000000, 0.0003321000000000 ] - [ -0.0000081000000000, 0.0000045800000000, 0.0003356800000000 ] - [ 0.0015643000000000, 0.0001354600000000, -0.0000854400000000 ] - [ -0.0004681700000000, -0.0000064800000000, -0.0000420200000000 ] - [ 0.0292276200000000, -0.0158966000000000, -0.0111574300000000 ] - [ 0.0304648300000000, 0.0167673900000000, 0.0116981400000000 ] - [ -0.0000099700000000, -0.0000008000000000, 0.0007898100000000 ] - [ -0.0000021200000000, -0.0000012500000000, 0.0007855300000000 ] - [ -0.0000055200000000, 0.0000062300000000, 0.0007851000000000 ] - [ -0.0000067400000000, 0.0000105000000000, 0.0007847000000000 ] - [ 0.0001531000000000, -0.0000020300000000, 0.0001327300000000 ] - [ -0.0001611100000000, 0.0000046000000000, 0.0001332500000000 ] - [ -0.0000324400000000, 0.0001081200000000, -0.0000065400000000 ] - [ -0.0000208000000000, -0.0000993700000000, 0.0002648600000000 ] - [ 0.0000088000000000, -0.0000038300000000, -0.0001478300000000 ] - [ 0.0000025400000000, -0.0000051900000000, -0.0001463200000000 ] - [ 0.0000067600000000, -0.0000003500000000, -0.0001436200000000 ] - [ 0.0000045000000000, -0.0000035700000000, -0.0001476200000000 ] - [ 0.0002827600000000, -0.0001605400000000, -0.0004999800000000 ] - [ 0.0002791300000000, 0.0001545800000000, 0.0009279400000000 ] - [ 0.0000083400000000, -0.0000019700000000, 0.0002111200000000 ] - [ -0.0000812900000000, -0.0000041700000000, 0.0002147700000000 ] - [ 0.0029893200000000, -0.0000068500000000, -0.0000541200000000 ] - [ -0.0011837200000000, -0.0000036100000000, -0.0001936300000000 ] - [ 0.0000328400000000, 0.0006956000000000, -0.0008976700000000 ] - [ 0.0000285800000000, -0.0007064900000000, 0.0005098200000000 ] - [ -0.0000019500000000, 0.0004215400000000, -0.0017401800000000 ] - [ 0.0000081500000000, -0.0004275800000000, 0.0001470600000000 ] - [ 0.0007382100000000, -0.0000069300000000, -0.0008005000000000 ] - [ -0.0015912600000000, 0.0000014800000000, -0.0007842000000000 ] - [ -0.0000044700000000, 0.0000028600000000, -0.0004919600000000 ] - [ -0.0000089000000000, 0.0000036700000000, -0.0004852400000000 ] - [ -0.0000071500000000, 0.0000053100000000, -0.0004843000000000 ] - [ -0.0000048700000000, 0.0000027600000000, -0.0004899900000000 ] - [ -0.0000025500000000, 0.0000057100000000, 0.0001541700000000 ] - [ -0.0000092500000000, 0.0000037100000000, 0.0001526200000000 ] - [ -0.0000042100000000, 0.0000037900000000, 0.0001559400000000 ] - [ -0.0000074500000000, -0.0000003000000000, 0.0001571900000000 ] - [ 0.0000049900000000, -0.0000074500000000, 0.0005073600000000 ] - [ 0.0000054100000000, -0.0000080800000000, 0.0004994200000000 ] - [ 0.0000079600000000, 0.0000014500000000, 0.0005263800000000 ] - [ 0.0000071800000000, -0.0000007400000000, 0.0004871900000000 ] - [ 0.0000064300000000, -0.0000003000000000, 0.0001831300000000 ] - [ 0.0000057500000000, -0.0000073800000000, 0.0001856400000000 ] - [ 0.0000124900000000, -0.0000020300000000, 0.0001874800000000 ] - [ 0.0000002100000000, -0.0000028200000000, 0.0001858600000000 ] - [ -0.0000021300000000, 0.0000046500000000, 0.0005088300000000 ] - [ -0.0000090600000000, 0.0000063100000000, 0.0005123900000000 ] - [ -0.0000072500000000, 0.0000033900000000, 0.0005145000000000 ] - [ -0.0000039800000000, -0.0000005500000000, 0.0005156700000000 ] - [ -0.0000101100000000, 0.0000041900000000, -0.0001567300000000 ] - [ -0.0000020000000000, -0.0000006100000000, -0.0001644000000000 ] - [ -0.0000019500000000, 0.0000021900000000, -0.0001577400000000 ] - [ -0.0000098000000000, 0.0000073800000000, -0.0001556000000000 ] - [ -0.0000034300000000, -0.0000010400000000, 0.0003125800000000 ] - [ -0.0000093100000000, 0.0000001400000000, 0.0002999500000000 ] - [ -0.0000074400000000, 0.0000097100000000, 0.0003021300000000 ] - [ -0.0000041900000000, 0.0000055300000000, 0.0003009000000000 ] - [ -0.0000677600000000, -0.0000018000000000, -0.0001081800000000 ] - [ 0.0001266400000000, -0.0000106000000000, -0.0001051400000000 ] - [ 0.0000109800000000, -0.0000407000000000, -0.0000462100000000 ] - [ -0.0000046400000000, 0.0000410500000000, -0.0001634900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0005744100000000, 0.0001292300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002311300000000 ] - [ 0.0004974500000000, -0.0002872000000000, 0.0001292300000000 ] - [ -0.0004974500000000, -0.0002872000000000, 0.0001292300000000 ] - [ 0.0000229700000000, -0.0000132600000000, 0.0007562900000000 ] - [ -0.0000229700000000, -0.0000132600000000, 0.0007562900000000 ] - [ 0.0000000000000000, 0.0000265200000000, 0.0007562900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007483500000000 ] - [ 0.0000000000000000, -0.0000007700000000, 0.0004289200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004277900000000 ] - [ -0.0000006700000000, 0.0000003900000000, 0.0004289200000000 ] - [ 0.0000006700000000, 0.0000003900000000, 0.0004289200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008647400000000 ] - [ 0.0000000000000000, 0.0000084600000000, 0.0008736200000000 ] - [ -0.0000073300000000, -0.0000042300000000, 0.0008736200000000 ] - [ 0.0000073300000000, -0.0000042300000000, 0.0008736200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0739842700000000 ] - [ 0.0000000000000000, -0.0036738000000000, -0.0057422300000000 ] - [ 0.0031816100000000, 0.0018369000000000, -0.0057422300000000 ] - [ -0.0031816100000000, 0.0018369000000000, -0.0057422300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006050500000000 ] - [ 0.0000000000000000, 0.0000004400000000, 0.0006125600000000 ] - [ -0.0000003800000000, -0.0000002200000000, 0.0006125600000000 ] - [ 0.0000003800000000, -0.0000002200000000, 0.0006125600000000 ] - [ -0.0061726800000000, 0.0035638000000000, 0.0012373200000000 ] - [ 0.0061726800000000, 0.0035638000000000, 0.0012373200000000 ] - [ 0.0000000000000000, -0.0071276000000000, 0.0012373200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010046900000000 ] - [ 0.0000000000000000, -0.0017200400000000, 0.0012373600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010174900000000 ] - [ -0.0014896000000000, 0.0008600200000000, 0.0012373600000000 ] - [ 0.0014896000000000, 0.0008600200000000, 0.0012373600000000 ] - [ 0.0000007400000000, -0.0000004300000000, 0.0007769500000000 ] - [ -0.0000007400000000, -0.0000004300000000, 0.0007769500000000 ] - [ 0.0000000000000000, 0.0000008600000000, 0.0007769500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007773000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000730100000000 ] - [ 0.0000000000000000, -0.0001888500000000, 0.0000969700000000 ] - [ 0.0001635500000000, 0.0000944300000000, 0.0000969700000000 ] - [ -0.0001635500000000, 0.0000944300000000, 0.0000969700000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0004227600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004230100000000 ] - [ 0.0000002700000000, -0.0000001500000000, 0.0004227600000000 ] - [ -0.0000002700000000, -0.0000001500000000, 0.0004227600000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0008756600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008749200000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0008756600000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0008756600000000 ] - [ 0.0000005500000000, -0.0000003200000000, -0.0003106300000000 ] - [ -0.0000005500000000, -0.0000003200000000, -0.0003106300000000 ] - [ 0.0000000000000000, 0.0000006300000000, -0.0003106300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003081100000000 ] - [ -0.0001160700000000, 0.0000670100000000, 0.0000131500000000 ] - [ 0.0001160700000000, 0.0000670100000000, 0.0000131500000000 ] - [ 0.0000000000000000, -0.0001340300000000, 0.0000131500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003169000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001356500000000 ] - [ 0.0000000000000000, -0.0000037300000000, 0.0001473700000000 ] - [ 0.0000032300000000, 0.0000018600000000, 0.0001473700000000 ] - [ -0.0000032300000000, 0.0000018600000000, 0.0001473700000000 ] - [ -0.0000004500000000, 0.0000002600000000, 0.0004838500000000 ] - [ 0.0000004500000000, 0.0000002600000000, 0.0004838500000000 ] - [ 0.0000000000000000, -0.0000005200000000, 0.0004838500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004838000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003306300000000 ] - [ 0.0000000000000000, -0.0000007600000000, 0.0003375100000000 ] - [ 0.0000006500000000, 0.0000003800000000, 0.0003375100000000 ] - [ -0.0000006500000000, 0.0000003800000000, 0.0003375100000000 ] - [ 0.0000000000000000, 0.0000154600000000, -0.0001016600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000173100000000 ] - [ 0.0000133900000000, -0.0000077300000000, -0.0001016600000000 ] - [ -0.0000133900000000, -0.0000077300000000, -0.0001016600000000 ] - [ -0.0000003000000000, 0.0000001700000000, -0.0003833100000000 ] - [ 0.0000003000000000, 0.0000001700000000, -0.0003833100000000 ] - [ 0.0000000000000000, -0.0000003400000000, -0.0003833100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003801700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007601800000000 ] - [ 0.0000000000000000, -0.0000098900000000, -0.0007965200000000 ] - [ 0.0000085600000000, 0.0000049400000000, -0.0007965200000000 ] - [ -0.0000085600000000, 0.0000049400000000, -0.0007965200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000893500000000 ] - [ 0.0000000000000000, -0.0000007400000000, -0.0000873600000000 ] - [ 0.0000006400000000, 0.0000003700000000, -0.0000873600000000 ] - [ -0.0000006400000000, 0.0000003700000000, -0.0000873600000000 ] - [ 0.0000000000000000, -0.0147501900000000, 0.0099202000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024894800000000 ] - [ -0.0127740400000000, 0.0073751000000000, 0.0099202000000000 ] - [ 0.0127740400000000, 0.0073751000000000, 0.0099202000000000 ] - [ 0.0000027000000000, -0.0000015600000000, 0.0003687200000000 ] - [ -0.0000027000000000, -0.0000015600000000, 0.0003687200000000 ] - [ 0.0000000000000000, 0.0000031200000000, 0.0003687200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003694400000000 ] - [ 0.0000000000000000, 0.0000125100000000, -0.0002504500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004742400000000 ] - [ 0.0000108300000000, -0.0000062600000000, -0.0002504500000000 ] - [ -0.0000108300000000, -0.0000062600000000, -0.0002504500000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0005822700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005814500000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0005822700000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0005822700000000 ] - [ 0.0010721500000000, -0.0006190100000000, -0.0005228000000000 ] - [ -0.0010721500000000, -0.0006190100000000, -0.0005228000000000 ] - [ 0.0000000000000000, 0.0012380200000000, -0.0005228000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008163300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0455110100000000 ] - [ 0.0000000000000000, 0.0000880500000000, 0.0024452400000000 ] - [ -0.0000762500000000, -0.0000440200000000, 0.0024452400000000 ] - [ 0.0000762500000000, -0.0000440200000000, 0.0024452400000000 ] - [ -0.0002154000000000, 0.0001243600000000, -0.0011208200000000 ] - [ 0.0002154000000000, 0.0001243600000000, -0.0011208200000000 ] - [ 0.0000000000000000, -0.0002487200000000, -0.0011208200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001995400000000 ] - [ 0.0000004300000000, -0.0000002500000000, -0.0008602200000000 ] - [ -0.0000004300000000, -0.0000002500000000, -0.0008602200000000 ] - [ 0.0000000000000000, 0.0000005000000000, -0.0008602200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008672600000000 ] - [ 0.0000000000000000, -0.0000011600000000, -0.0002639600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002614900000000 ] - [ -0.0000010000000000, 0.0000005800000000, -0.0002639600000000 ] - [ 0.0000010000000000, 0.0000005800000000, -0.0002639600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001385200000000 ] - [ 0.0000000000000000, 0.0000405700000000, 0.0000655200000000 ] - [ -0.0000351400000000, -0.0000202900000000, 0.0000655200000000 ] - [ 0.0000351400000000, -0.0000202900000000, 0.0000655200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001891400000000 ] - [ 0.0000000000000000, 0.0000027200000000, -0.0001914500000000 ] - [ -0.0000023600000000, -0.0000013600000000, -0.0001914500000000 ] - [ 0.0000023600000000, -0.0000013600000000, -0.0001914500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001453900000000 ] - [ 0.0000000000000000, -0.0000036100000000, 0.0001352000000000 ] - [ 0.0000031300000000, 0.0000018100000000, 0.0001352000000000 ] - [ -0.0000031300000000, 0.0000018100000000, 0.0001352000000000 ] - [ 0.0000000000000000, -0.0000016800000000, -0.0005870000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005855400000000 ] - [ -0.0000014600000000, 0.0000008400000000, -0.0005870000000000 ] - [ 0.0000014600000000, 0.0000008400000000, -0.0005870000000000 ] - [ -0.0000087200000000, 0.0000050300000000, -0.0001272500000000 ] - [ 0.0000087200000000, 0.0000050300000000, -0.0001272500000000 ] - [ 0.0000000000000000, -0.0000100700000000, -0.0001272500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001424700000000 ] - [ 0.0000000000000000, -0.0000821000000000, -0.0003925400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009354700000000 ] - [ -0.0000711000000000, 0.0000410500000000, -0.0003925400000000 ] - [ 0.0000711000000000, 0.0000410500000000, -0.0003925400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0005738200000000, -0.0009377200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005810400000000 ] - [ -0.0004969500000000, 0.0002869100000000, -0.0009377200000000 ] - [ 0.0004969500000000, 0.0002869100000000, -0.0009377200000000 ] - [ -0.0000231600000000, 0.0000133700000000, -0.0000825900000000 ] - [ 0.0000231600000000, 0.0000133700000000, -0.0000825900000000 ] - [ 0.0000000000000000, -0.0000267500000000, -0.0000825900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000737900000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0004032300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004027800000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0004032300000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0004032300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000372400000000 ] - [ 0.0000000000000000, -0.0000094900000000, 0.0000276700000000 ] - [ 0.0000082100000000, 0.0000047400000000, 0.0000276700000000 ] - [ -0.0000082100000000, 0.0000047400000000, 0.0000276700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0774763500000000 ] - [ 0.0000000000000000, 0.0036599200000000, 0.0065595400000000 ] - [ -0.0031695800000000, -0.0018299600000000, 0.0065595400000000 ] - [ 0.0031695800000000, -0.0018299600000000, 0.0065595400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002222100000000 ] - [ 0.0000000000000000, 0.0000009600000000, -0.0002261400000000 ] - [ -0.0000008300000000, -0.0000004800000000, -0.0002261400000000 ] - [ 0.0000008300000000, -0.0000004800000000, -0.0002261400000000 ] - [ 0.0061753100000000, -0.0035653200000000, -0.0015880500000000 ] - [ -0.0061753100000000, -0.0035653200000000, -0.0015880500000000 ] - [ 0.0000000000000000, 0.0071306300000000, -0.0015880500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006745800000000 ] - [ 0.0000000000000000, 0.0016957800000000, -0.0016039500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006343400000000 ] - [ 0.0014685900000000, -0.0008478900000000, -0.0016039500000000 ] - [ -0.0014685900000000, -0.0008478900000000, -0.0016039500000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0000466200000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0000466200000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0000466200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000458800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007216200000000 ] - [ 0.0000000000000000, 0.0001882000000000, -0.0007433900000000 ] - [ -0.0001629900000000, -0.0000941000000000, -0.0007433900000000 ] - [ 0.0001629900000000, -0.0000941000000000, -0.0007433900000000 ] - [ 0.0000000000000000, 0.0000008700000000, -0.0004079300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004072900000000 ] - [ 0.0000007500000000, -0.0000004300000000, -0.0004079300000000 ] - [ -0.0000007500000000, -0.0000004300000000, -0.0004079300000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0000448900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000453100000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0000448900000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0000448900000000 ] - [ -0.0000003900000000, 0.0000002300000000, -0.0011518300000000 ] - [ 0.0000003900000000, 0.0000002300000000, -0.0011518300000000 ] - [ 0.0000000000000000, -0.0000004500000000, -0.0011518300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011561600000000 ] - [ 0.0001150300000000, -0.0000664100000000, -0.0010355900000000 ] - [ -0.0001150300000000, -0.0000664100000000, -0.0010355900000000 ] - [ 0.0000000000000000, 0.0001328200000000, -0.0010355900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007092400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006820600000000 ] - [ 0.0000000000000000, 0.0000055500000000, -0.0006926500000000 ] - [ -0.0000048000000000, -0.0000027700000000, -0.0006926500000000 ] - [ 0.0000048000000000, -0.0000027700000000, -0.0006926500000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0003464300000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0003464300000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0003464300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003466800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004825800000000 ] - [ 0.0000000000000000, -0.0000006300000000, -0.0004865100000000 ] - [ 0.0000005400000000, 0.0000003100000000, -0.0004865100000000 ] - [ -0.0000005400000000, 0.0000003100000000, -0.0004865100000000 ] - [ 0.0000000000000000, -0.0000142300000000, -0.0008901600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009740200000000 ] - [ -0.0000123300000000, 0.0000071200000000, -0.0008901600000000 ] - [ 0.0000123300000000, 0.0000071200000000, -0.0008901600000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0004514300000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0004514300000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0004514300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004477700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000071700000000 ] - [ 0.0000000000000000, 0.0000065200000000, 0.0000387000000000 ] - [ -0.0000056500000000, -0.0000032600000000, 0.0000387000000000 ] - [ 0.0000056500000000, -0.0000032600000000, 0.0000387000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007325800000000 ] - [ 0.0000000000000000, 0.0000007600000000, 0.0007344800000000 ] - [ -0.0000006600000000, -0.0000003800000000, 0.0007344800000000 ] - [ 0.0000006600000000, -0.0000003800000000, 0.0007344800000000 ] - [ 0.0000000000000000, 0.0146591900000000, -0.0100225600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025076100000000 ] - [ 0.0126952400000000, -0.0073296000000000, -0.0100225600000000 ] - [ -0.0126952400000000, -0.0073296000000000, -0.0100225600000000 ] - [ -0.0000004300000000, 0.0000002500000000, 0.0011651000000000 ] - [ 0.0000004300000000, 0.0000002500000000, 0.0011651000000000 ] - [ 0.0000000000000000, -0.0000005000000000, 0.0011651000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011650000000000 ] - [ 0.0000000000000000, -0.0000126500000000, 0.0004732400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006988500000000 ] - [ -0.0000109500000000, 0.0000063200000000, 0.0004732400000000 ] - [ 0.0000109500000000, 0.0000063200000000, 0.0004732400000000 ] - [ 0.0000000000000000, -0.0000027500000000, 0.0002780100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002767600000000 ] - [ -0.0000023800000000, 0.0000013700000000, 0.0002780100000000 ] - [ 0.0000023800000000, 0.0000013700000000, 0.0002780100000000 ] - [ -0.0010640500000000, 0.0006143300000000, 0.0009333800000000 ] - [ 0.0010640500000000, 0.0006143300000000, 0.0009333800000000 ] - [ 0.0000000000000000, -0.0012286600000000, 0.0009333800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003938700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0484864300000000 ] - [ 0.0000000000000000, -0.0000814000000000, -0.0028176700000000 ] - [ 0.0000705000000000, 0.0000407000000000, -0.0028176700000000 ] - [ -0.0000705000000000, 0.0000407000000000, -0.0028176700000000 ] - [ 0.0002171500000000, -0.0001253700000000, -0.0004604800000000 ] - [ -0.0002171500000000, -0.0001253700000000, -0.0004604800000000 ] - [ 0.0000000000000000, 0.0002507400000000, -0.0004604800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013685400000000 ] - [ -0.0000012700000000, 0.0000007300000000, -0.0000437800000000 ] - [ 0.0000012700000000, 0.0000007300000000, -0.0000437800000000 ] - [ 0.0000000000000000, -0.0000014600000000, -0.0000437800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000372400000000 ] - [ 0.0000000000000000, -0.0000009300000000, 0.0005606500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005631600000000 ] - [ -0.0000008000000000, 0.0000004600000000, 0.0005606500000000 ] - [ 0.0000008000000000, 0.0000004600000000, 0.0005606500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008490200000000 ] - [ 0.0000000000000000, -0.0000404700000000, 0.0009299500000000 ] - [ 0.0000350500000000, 0.0000202300000000, 0.0009299500000000 ] - [ -0.0000350500000000, 0.0000202300000000, 0.0009299500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005952600000000 ] - [ 0.0000000000000000, -0.0000034400000000, 0.0006016100000000 ] - [ 0.0000029800000000, 0.0000017200000000, 0.0006016100000000 ] - [ -0.0000029800000000, 0.0000017200000000, 0.0006016100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009600000000000 ] - [ 0.0000000000000000, 0.0000012000000000, 0.0009731300000000 ] - [ -0.0000010400000000, -0.0000006000000000, 0.0009731300000000 ] - [ 0.0000010400000000, -0.0000006000000000, 0.0009731300000000 ] - [ 0.0000000000000000, 0.0000023600000000, 0.0002641600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002616300000000 ] - [ 0.0000020400000000, -0.0000011800000000, 0.0002641600000000 ] - [ -0.0000020400000000, -0.0000011800000000, 0.0002641600000000 ] - [ 0.0000117400000000, -0.0000067800000000, 0.0007170100000000 ] - [ -0.0000117400000000, -0.0000067800000000, 0.0007170100000000 ] - [ 0.0000000000000000, 0.0000135500000000, 0.0007170100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007317200000000 ] - [ 0.0000000000000000, 0.0000733800000000, 0.0001515900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006904900000000 ] - [ 0.0000635500000000, -0.0000366900000000, 0.0001515900000000 ] - [ -0.0000635500000000, -0.0000366900000000, 0.0001515900000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000135000000000, 0.0000094400000000, -0.0004062200000000 ] - [ -0.0000132400000000, 0.0000094400000000, -0.0004062100000000 ] - [ -0.0000134000000000, 0.0000094400000000, -0.0004060900000000 ] - [ -0.0000134200000000, 0.0000095800000000, -0.0004062400000000 ] - [ -0.0000138900000000, 0.0000090400000000, 0.0003398200000000 ] - [ -0.0000138400000000, 0.0000093200000000, 0.0003369800000000 ] - [ -0.0000141000000000, 0.0000087000000000, 0.0003383300000000 ] - [ -0.0000133100000000, 0.0000087100000000, 0.0003384400000000 ] - [ 0.0000010400000000, -0.0000087500000000, 0.0000125800000000 ] - [ 0.0000309900000000, -0.0000088000000000, 0.0000124500000000 ] - [ 0.0000163700000000, -0.0000177300000000, 0.0000425500000000 ] - [ 0.0000163200000000, -0.0000000200000000, -0.0000173300000000 ] - [ 0.0000130900000000, -0.0000084000000000, 0.0004518600000000 ] - [ 0.0000186000000000, -0.0000081900000000, 0.0004519600000000 ] - [ 0.0000160500000000, -0.0000096400000000, 0.0004591600000000 ] - [ 0.0000161800000000, -0.0000067900000000, 0.0004449700000000 ] - [ -0.0000132100000000, 0.0000092100000000, 0.0004029300000000 ] - [ -0.0000149800000000, 0.0000092100000000, 0.0004032500000000 ] - [ -0.0000151100000000, 0.0000092100000000, 0.0004032100000000 ] - [ -0.0000149900000000, 0.0000093500000000, 0.0004031000000000 ] - [ -0.0716424300000000, -0.0010325200000000, -0.0006208200000000 ] - [ 0.0113718500000000, 0.0000482200000000, 0.0001992900000000 ] - [ -0.0006185300000000, -0.0069082700000000, 0.0033183000000000 ] - [ -0.0006018900000000, 0.0069094500000000, -0.0029309700000000 ] - [ -0.0000146800000000, 0.0000095100000000, -0.0001612300000000 ] - [ -0.0000140400000000, 0.0000099100000000, -0.0001612700000000 ] - [ -0.0000147200000000, 0.0000093200000000, -0.0001614200000000 ] - [ -0.0000148000000000, 0.0000096900000000, -0.0001613500000000 ] - [ -0.0000150400000000, 0.0000100800000000, -0.0001854700000000 ] - [ -0.0000146900000000, 0.0000100200000000, -0.0001856800000000 ] - [ -0.0000147800000000, 0.0000097500000000, -0.0001856700000000 ] - [ -0.0000148800000000, 0.0000099900000000, -0.0001853200000000 ] - [ 0.0000155000000000, 0.0000250600000000, 0.0001873600000000 ] - [ 0.0000152700000000, -0.0000422400000000, 0.0005388200000000 ] - [ 0.0000736700000000, -0.0000084800000000, 0.0003632800000000 ] - [ -0.0000364200000000, -0.0000086500000000, 0.0003632900000000 ] - [ -0.0000139700000000, 0.0000084300000000, -0.0003245500000000 ] - [ -0.0000140000000000, 0.0000085200000000, -0.0003245300000000 ] - [ -0.0000140800000000, 0.0000085800000000, -0.0003243400000000 ] - [ -0.0000139200000000, 0.0000085400000000, -0.0003243300000000 ] - [ 0.0010374000000000, -0.0000077900000000, 0.0000043200000000 ] - [ -0.0007959200000000, -0.0000068300000000, 0.0000145500000000 ] - [ -0.0005467600000000, 0.0009027900000000, -0.0060670500000000 ] - [ -0.0005349500000000, -0.0009196300000000, 0.0060919300000000 ] - [ 0.0003733900000000, 0.0000085600000000, 0.0004620700000000 ] - [ -0.0005137100000000, 0.0000080900000000, 0.0004617600000000 ] - [ -0.0000167400000000, 0.0002341400000000, 0.0003854000000000 ] - [ -0.0000175100000000, -0.0002167500000000, 0.0005386200000000 ] - [ 0.0000142800000000, 0.0000257000000000, -0.0006903200000000 ] - [ 0.0000141200000000, -0.0000415700000000, -0.0007680800000000 ] - [ 0.0000724300000000, -0.0000077800000000, -0.0007290600000000 ] - [ -0.0000375600000000, -0.0000078700000000, -0.0007294400000000 ] - [ 0.0000162500000000, -0.0000084800000000, -0.0005101600000000 ] - [ 0.0000162900000000, -0.0000086100000000, -0.0005108200000000 ] - [ 0.0000164000000000, -0.0000084700000000, -0.0005104000000000 ] - [ 0.0000164400000000, -0.0000084600000000, -0.0005104600000000 ] - [ 0.0000144900000000, -0.0000083400000000, -0.0002742100000000 ] - [ 0.0000185000000000, -0.0000081900000000, -0.0002740400000000 ] - [ 0.0000160100000000, -0.0000100400000000, -0.0002775400000000 ] - [ 0.0000163500000000, -0.0000074000000000, -0.0002706200000000 ] - [ -0.0003099400000000, 0.0000904400000000, -0.0014174500000000 ] - [ -0.0003046600000000, -0.0000803200000000, 0.0015389500000000 ] - [ -0.0001593800000000, 0.0000059300000000, 0.0000670600000000 ] - [ 0.0005376800000000, 0.0000113100000000, 0.0000645000000000 ] - [ 0.0004270300000000, -0.0000088500000000, -0.0000791200000000 ] - [ -0.0004003000000000, -0.0000094900000000, -0.0000790300000000 ] - [ 0.0000515400000000, 0.0002518000000000, -0.0007621500000000 ] - [ 0.0000510500000000, -0.0002696100000000, 0.0006077300000000 ] - [ 0.0000174700000000, -0.0000089700000000, -0.0004988700000000 ] - [ 0.0000150900000000, -0.0000091000000000, -0.0004990400000000 ] - [ 0.0000165000000000, -0.0000082900000000, -0.0004986400000000 ] - [ 0.0000163100000000, -0.0000095600000000, -0.0004990500000000 ] - [ 0.0002828900000000, -0.0001586500000000, -0.0006889600000000 ] - [ 0.0002776100000000, 0.0001486300000000, 0.0007536100000000 ] - [ 0.0000140600000000, -0.0000000600000000, 0.0000301100000000 ] - [ -0.0000825500000000, -0.0000032700000000, 0.0000344000000000 ] - [ -0.0000032100000000, 0.0000039600000000, -0.0003732200000000 ] - [ -0.0000067200000000, 0.0000038500000000, -0.0003742600000000 ] - [ -0.0000047400000000, 0.0000039200000000, -0.0003756500000000 ] - [ -0.0000050300000000, 0.0000020000000000, -0.0003717600000000 ] - [ 0.0006427400000000, 0.0000022400000000, 0.0003272700000000 ] - [ -0.0008732300000000, 0.0000007300000000, 0.0003297100000000 ] - [ 0.0001922700000000, 0.0006176400000000, 0.0019255600000000 ] - [ 0.0001913500000000, -0.0006122300000000, -0.0012796000000000 ] - [ 0.0000065200000000, -0.0000021500000000, -0.0000167000000000 ] - [ 0.0000064400000000, -0.0000030700000000, -0.0000147800000000 ] - [ 0.0000073700000000, -0.0000035300000000, -0.0000146900000000 ] - [ 0.0000055800000000, -0.0000037200000000, -0.0000167600000000 ] - [ -0.0000185900000000, 0.0000516600000000, 0.0012534500000000 ] - [ -0.0000187500000000, -0.0000433700000000, 0.0003061700000000 ] - [ 0.0000636300000000, 0.0000033100000000, 0.0007797800000000 ] - [ -0.0000550800000000, 0.0000028800000000, 0.0007793500000000 ] - [ -0.0000054000000000, 0.0000043800000000, 0.0001213900000000 ] - [ -0.0000041800000000, 0.0000023200000000, 0.0001212200000000 ] - [ -0.0000031400000000, 0.0000020200000000, 0.0001218600000000 ] - [ -0.0000065400000000, 0.0000027000000000, 0.0001224200000000 ] - [ 0.0013093500000000, 0.0001311800000000, -0.0002027400000000 ] - [ -0.0004257500000000, -0.0000040900000000, -0.0001588700000000 ] - [ 0.0289310700000000, -0.0158745800000000, -0.0112407600000000 ] - [ 0.0301801500000000, 0.0167484900000000, 0.0115478400000000 ] - [ 0.0000065700000000, -0.0000039100000000, 0.0002201400000000 ] - [ 0.0000063900000000, -0.0000023600000000, 0.0002181600000000 ] - [ 0.0000053000000000, -0.0000033200000000, 0.0002189600000000 ] - [ 0.0000076600000000, -0.0000033600000000, 0.0002196000000000 ] - [ 0.0000072000000000, -0.0000030400000000, -0.0001998200000000 ] - [ 0.0000059300000000, -0.0000033100000000, -0.0002009700000000 ] - [ 0.0000069800000000, -0.0000035300000000, -0.0002015100000000 ] - [ 0.0000064800000000, -0.0000043600000000, -0.0002006000000000 ] - [ 0.0000073500000000, -0.0000039500000000, -0.0007979100000000 ] - [ 0.0000050900000000, -0.0000019200000000, -0.0007979500000000 ] - [ 0.0000044400000000, -0.0000029400000000, -0.0007977000000000 ] - [ 0.0000079900000000, -0.0000039900000000, -0.0007989200000000 ] - [ -0.0000042700000000, -0.0000035800000000, -0.0004516900000000 ] - [ -0.0000040100000000, 0.0000110600000000, -0.0004640900000000 ] - [ -0.0000167800000000, 0.0000035500000000, -0.0004587200000000 ] - [ 0.0000055100000000, 0.0000036900000000, -0.0004577700000000 ] - [ -0.0000322200000000, 0.0000033900000000, 0.0001486100000000 ] - [ 0.0000196100000000, 0.0000030500000000, 0.0001486700000000 ] - [ -0.0000035000000000, -0.0000130800000000, 0.0000738800000000 ] - [ -0.0000039700000000, 0.0000197500000000, 0.0002235400000000 ] - [ 0.0000059400000000, -0.0000029400000000, 0.0005016100000000 ] - [ 0.0000070700000000, -0.0000029900000000, 0.0005030100000000 ] - [ 0.0000061000000000, -0.0000049200000000, 0.0005019100000000 ] - [ 0.0000060800000000, -0.0000039200000000, 0.0005002100000000 ] - [ 0.0029583900000000, -0.0000076900000000, 0.0003482100000000 ] - [ -0.0011865900000000, -0.0000022000000000, 0.0002123700000000 ] - [ 0.0000315900000000, 0.0006979700000000, -0.0004832200000000 ] - [ 0.0000310300000000, -0.0007085100000000, 0.0009032500000000 ] - [ -0.0000085700000000, 0.0000032400000000, 0.0005439000000000 ] - [ -0.0000010200000000, 0.0000033900000000, 0.0005432200000000 ] - [ -0.0000053500000000, 0.0000011700000000, 0.0005239200000000 ] - [ -0.0000050100000000, 0.0000058500000000, 0.0005608900000000 ] - [ -0.0000604200000000, 0.0000036500000000, -0.0001654600000000 ] - [ 0.0000903900000000, 0.0000046100000000, -0.0001636200000000 ] - [ -0.0000074900000000, -0.0000286100000000, -0.0001075600000000 ] - [ -0.0000056800000000, 0.0000336600000000, -0.0002240300000000 ] - [ -0.0000059200000000, 0.0000035900000000, 0.0002839300000000 ] - [ -0.0000046800000000, 0.0000054100000000, 0.0002928500000000 ] - [ -0.0000067600000000, 0.0000023500000000, 0.0002895400000000 ] - [ -0.0000039600000000, 0.0000027900000000, 0.0002897900000000 ] - [ 0.0000065700000000, -0.0000031200000000, -0.0001094300000000 ] - [ 0.0000066300000000, -0.0000025500000000, -0.0001101500000000 ] - [ 0.0000061200000000, -0.0000034300000000, -0.0001087900000000 ] - [ 0.0000070200000000, -0.0000034400000000, -0.0001098400000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000041800000000, 0.0000105000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000059300000000 ] - [ 0.0000036200000000, -0.0000020900000000, 0.0000105000000000 ] - [ -0.0000036200000000, -0.0000020900000000, 0.0000105000000000 ] - [ 0.0000110200000000, -0.0000063700000000, 0.0007819800000000 ] - [ -0.0000110200000000, -0.0000063700000000, 0.0007819800000000 ] - [ 0.0000000000000000, 0.0000127300000000, 0.0007819800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007855100000000 ] - [ 0.0000000000000000, 0.0000083100000000, 0.0003768200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004203900000000 ] - [ 0.0000071900000000, -0.0000041500000000, 0.0003768200000000 ] - [ -0.0000071900000000, -0.0000041500000000, 0.0003768200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008940400000000 ] - [ 0.0000000000000000, 0.0000002200000000, 0.0009033300000000 ] - [ -0.0000001900000000, -0.0000001100000000, 0.0009033300000000 ] - [ 0.0000001900000000, -0.0000001100000000, 0.0009033300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007893700000000 ] - [ 0.0000000000000000, -0.0000051600000000, 0.0007933000000000 ] - [ 0.0000044600000000, 0.0000025800000000, 0.0007933000000000 ] - [ -0.0000044600000000, 0.0000025800000000, 0.0007933000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0746783800000000 ] - [ 0.0000000000000000, -0.0036154600000000, -0.0059148000000000 ] - [ 0.0031310800000000, 0.0018077300000000, -0.0059148000000000 ] - [ -0.0031310800000000, 0.0018077300000000, -0.0059148000000000 ] - [ 0.0000035100000000, -0.0000020300000000, 0.0002563100000000 ] - [ -0.0000035100000000, -0.0000020300000000, 0.0002563100000000 ] - [ 0.0000000000000000, 0.0000040500000000, 0.0002563100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002620300000000 ] - [ 0.0000000000000000, 0.0000055200000000, 0.0002523900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002502700000000 ] - [ 0.0000047800000000, -0.0000027600000000, 0.0002523900000000 ] - [ -0.0000047800000000, -0.0000027600000000, 0.0002523900000000 ] - [ -0.0000482300000000, 0.0000278500000000, 0.0008134600000000 ] - [ 0.0000482300000000, 0.0000278500000000, 0.0008134600000000 ] - [ 0.0000000000000000, -0.0000557000000000, 0.0008134600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007105000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001165400000000 ] - [ 0.0000000000000000, -0.0000068600000000, 0.0000983000000000 ] - [ 0.0000059400000000, 0.0000034300000000, 0.0000983000000000 ] - [ -0.0000059400000000, 0.0000034300000000, 0.0000983000000000 ] - [ 0.0000000000000000, -0.0021004700000000, 0.0012637200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005164400000000 ] - [ -0.0018190600000000, 0.0010502300000000, 0.0012637200000000 ] - [ 0.0018190600000000, 0.0010502300000000, 0.0012637200000000 ] - [ 0.0000000000000000, 0.0005719800000000, 0.0010083800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006602200000000 ] - [ 0.0004953500000000, -0.0002859900000000, 0.0010083800000000 ] - [ -0.0004953500000000, -0.0002859900000000, 0.0010083800000000 ] - [ 0.0001746500000000, -0.0001008300000000, -0.0002674900000000 ] - [ -0.0001746500000000, -0.0001008300000000, -0.0002674900000000 ] - [ 0.0000000000000000, 0.0002016700000000, -0.0002674900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003619800000000 ] - [ -0.0000022700000000, 0.0000013100000000, -0.0000684300000000 ] - [ 0.0000022700000000, 0.0000013100000000, -0.0000684300000000 ] - [ 0.0000000000000000, -0.0000026200000000, -0.0000684300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000599600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001305700000000 ] - [ 0.0000000000000000, -0.0000170900000000, 0.0001283900000000 ] - [ 0.0000148000000000, 0.0000085400000000, 0.0001283900000000 ] - [ -0.0000148000000000, 0.0000085400000000, 0.0001283900000000 ] - [ -0.0061627900000000, 0.0035580900000000, 0.0014396200000000 ] - [ 0.0061627900000000, 0.0035580900000000, 0.0014396200000000 ] - [ 0.0000000000000000, -0.0071161800000000, 0.0014396200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008007400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011761700000000 ] - [ 0.0000000000000000, 0.0000755300000000, 0.0001258600000000 ] - [ -0.0000654100000000, -0.0000377700000000, 0.0001258600000000 ] - [ 0.0000654100000000, -0.0000377700000000, 0.0001258600000000 ] - [ 0.0000000000000000, -0.0000001500000000, -0.0000819500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000781100000000 ] - [ -0.0000001300000000, 0.0000000700000000, -0.0000819500000000 ] - [ 0.0000001300000000, 0.0000000700000000, -0.0000819500000000 ] - [ 0.0010621400000000, -0.0006132200000000, -0.0007280500000000 ] - [ -0.0010621400000000, -0.0006132200000000, -0.0007280500000000 ] - [ 0.0000000000000000, 0.0012264500000000, -0.0007280500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006151600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008325000000000 ] - [ 0.0000000000000000, -0.0000013500000000, -0.0008074100000000 ] - [ 0.0000011700000000, 0.0000006700000000, -0.0008074100000000 ] - [ -0.0000011700000000, 0.0000006700000000, -0.0008074100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006729100000000 ] - [ 0.0000000000000000, -0.0000944300000000, 0.0006687100000000 ] - [ 0.0000817800000000, 0.0000472200000000, 0.0006687100000000 ] - [ -0.0000817800000000, 0.0000472200000000, 0.0006687100000000 ] - [ 0.0000000000000000, -0.0000249600000000, -0.0003970500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004010800000000 ] - [ -0.0000216100000000, 0.0000124800000000, -0.0003970500000000 ] - [ 0.0000216100000000, 0.0000124800000000, -0.0003970500000000 ] - [ -0.0000660200000000, 0.0000381100000000, 0.0002686900000000 ] - [ 0.0000660200000000, 0.0000381100000000, 0.0002686900000000 ] - [ 0.0000000000000000, -0.0000762300000000, 0.0002686900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004982500000000 ] - [ 0.0000000000000000, -0.0000001600000000, -0.0003323300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003352400000000 ] - [ -0.0000001400000000, 0.0000000800000000, -0.0003323300000000 ] - [ 0.0000001400000000, 0.0000000800000000, -0.0003323300000000 ] - [ 0.0000000000000000, -0.0149349400000000, 0.0097231200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022705800000000 ] - [ -0.0129340400000000, 0.0074674700000000, 0.0097231200000000 ] - [ 0.0129340400000000, 0.0074674700000000, 0.0097231200000000 ] - [ 0.0000031200000000, -0.0000018000000000, -0.0002220300000000 ] - [ -0.0000031200000000, -0.0000018000000000, -0.0002220300000000 ] - [ 0.0000000000000000, 0.0000036000000000, -0.0002220300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002325200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006149700000000 ] - [ 0.0000000000000000, 0.0000066300000000, -0.0006057700000000 ] - [ -0.0000057400000000, -0.0000033100000000, -0.0006057700000000 ] - [ 0.0000057400000000, -0.0000033100000000, -0.0006057700000000 ] - [ 0.0000012700000000, -0.0000007300000000, -0.0012139600000000 ] - [ -0.0000012700000000, -0.0000007300000000, -0.0012139600000000 ] - [ 0.0000000000000000, 0.0000014700000000, -0.0012139600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012260200000000 ] - [ -0.0000393300000000, 0.0000227000000000, -0.0008439100000000 ] - [ 0.0000393300000000, 0.0000227000000000, -0.0008439100000000 ] - [ 0.0000000000000000, -0.0000454100000000, -0.0008439100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008104800000000 ] - [ 0.0000000000000000, -0.0000139300000000, -0.0002530900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003483600000000 ] - [ -0.0000120600000000, 0.0000069600000000, -0.0002530900000000 ] - [ 0.0000120600000000, 0.0000069600000000, -0.0002530900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000519400000000 ] - [ 0.0000000000000000, 0.0000144900000000, 0.0000706400000000 ] - [ -0.0000125500000000, -0.0000072400000000, 0.0000706400000000 ] - [ 0.0000125500000000, -0.0000072400000000, 0.0000706400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0462878200000000 ] - [ 0.0000000000000000, 0.0000849800000000, 0.0028611600000000 ] - [ -0.0000736000000000, -0.0000424900000000, 0.0028611600000000 ] - [ 0.0000736000000000, -0.0000424900000000, 0.0028611600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002136100000000 ] - [ 0.0000000000000000, -0.0000086400000000, 0.0001899800000000 ] - [ 0.0000074800000000, 0.0000043200000000, 0.0001899800000000 ] - [ -0.0000074800000000, 0.0000043200000000, 0.0001899800000000 ] - [ 0.0000000000000000, -0.0000493700000000, -0.0004470500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010048500000000 ] - [ -0.0000427500000000, 0.0000246800000000, -0.0004470500000000 ] - [ 0.0000427500000000, 0.0000246800000000, -0.0004470500000000 ] - [ -0.0000123400000000, 0.0000071200000000, -0.0001516600000000 ] - [ 0.0000123400000000, 0.0000071200000000, -0.0001516600000000 ] - [ 0.0000000000000000, -0.0000142500000000, -0.0001516600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001487600000000 ] - [ 0.0000000000000000, -0.0000155800000000, -0.0005313200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005207200000000 ] - [ -0.0000134900000000, 0.0000077900000000, -0.0005313200000000 ] - [ 0.0000134900000000, 0.0000077900000000, -0.0005313200000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000001200000000, -0.0008219800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008213000000000 ] - [ 0.0000001000000000, -0.0000000600000000, -0.0008219800000000 ] - [ -0.0000001000000000, -0.0000000600000000, -0.0008219800000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0000808500000000 ] - [ 0.0000002900000000, 0.0000001700000000, -0.0000808500000000 ] - [ 0.0000000000000000, -0.0000003400000000, -0.0000808500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000821600000000 ] - [ 0.0000000000000000, -0.0000032100000000, -0.0004056500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004387700000000 ] - [ -0.0000027800000000, 0.0000016000000000, -0.0004056500000000 ] - [ 0.0000027800000000, 0.0000016000000000, -0.0004056500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000257000000000 ] - [ 0.0000000000000000, 0.0000017000000000, 0.0000257900000000 ] - [ -0.0000014700000000, -0.0000008500000000, 0.0000257900000000 ] - [ 0.0000014700000000, -0.0000008500000000, 0.0000257900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000127400000000 ] - [ 0.0000000000000000, -0.0000006300000000, -0.0000171000000000 ] - [ 0.0000005400000000, 0.0000003100000000, -0.0000171000000000 ] - [ -0.0000005400000000, 0.0000003100000000, -0.0000171000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0778248300000000 ] - [ 0.0000000000000000, 0.0036002500000000, 0.0063432800000000 ] - [ -0.0031179100000000, -0.0018001200000000, 0.0063432800000000 ] - [ 0.0031179100000000, -0.0018001200000000, 0.0063432800000000 ] - [ -0.0000005700000000, 0.0000003300000000, -0.0005829500000000 ] - [ 0.0000005700000000, 0.0000003300000000, -0.0005829500000000 ] - [ 0.0000000000000000, -0.0000006600000000, -0.0005829500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005830100000000 ] - [ 0.0000000000000000, 0.0000008000000000, -0.0006076200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006083500000000 ] - [ 0.0000006900000000, -0.0000004000000000, -0.0006076200000000 ] - [ -0.0000006900000000, -0.0000004000000000, -0.0006076200000000 ] - [ 0.0000386700000000, -0.0000223300000000, -0.0000810100000000 ] - [ -0.0000386700000000, -0.0000223300000000, -0.0000810100000000 ] - [ 0.0000000000000000, 0.0000446600000000, -0.0000810100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000150700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007554300000000 ] - [ 0.0000000000000000, 0.0000006300000000, -0.0007446800000000 ] - [ -0.0000005500000000, -0.0000003200000000, -0.0007446800000000 ] - [ 0.0000005500000000, -0.0000003200000000, -0.0007446800000000 ] - [ 0.0000000000000000, 0.0020545500000000, -0.0012200500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005500300000000 ] - [ 0.0017792900000000, -0.0010272800000000, -0.0012200500000000 ] - [ -0.0017792900000000, -0.0010272800000000, -0.0012200500000000 ] - [ 0.0000000000000000, -0.0005686800000000, -0.0000806600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002657400000000 ] - [ -0.0004924900000000, 0.0002843400000000, -0.0000806600000000 ] - [ 0.0004924900000000, 0.0002843400000000, -0.0000806600000000 ] - [ -0.0001748100000000, 0.0001009300000000, -0.0011814500000000 ] - [ 0.0001748100000000, 0.0001009300000000, -0.0011814500000000 ] - [ 0.0000000000000000, -0.0002018500000000, -0.0011814500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010850500000000 ] - [ 0.0000015000000000, -0.0000008700000000, -0.0009306000000000 ] - [ -0.0000015000000000, -0.0000008700000000, -0.0009306000000000 ] - [ 0.0000000000000000, 0.0000017400000000, -0.0009306000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009299900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006927900000000 ] - [ 0.0000000000000000, 0.0000147400000000, -0.0006961000000000 ] - [ -0.0000127600000000, -0.0000073700000000, -0.0006961000000000 ] - [ 0.0000127600000000, -0.0000073700000000, -0.0006961000000000 ] - [ 0.0061681300000000, -0.0035611700000000, -0.0013658400000000 ] - [ -0.0061681300000000, -0.0035611700000000, -0.0013658400000000 ] - [ 0.0000000000000000, 0.0071223400000000, -0.0013658400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008988900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013108900000000 ] - [ 0.0000000000000000, -0.0000636800000000, -0.0002826600000000 ] - [ 0.0000551500000000, 0.0000318400000000, -0.0002826600000000 ] - [ -0.0000551500000000, 0.0000318400000000, -0.0002826600000000 ] - [ 0.0000000000000000, -0.0000066600000000, -0.0009219000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009216700000000 ] - [ -0.0000057600000000, 0.0000033300000000, -0.0009219000000000 ] - [ 0.0000057600000000, 0.0000033300000000, -0.0009219000000000 ] - [ -0.0010582600000000, 0.0006109800000000, 0.0007738600000000 ] - [ 0.0010582600000000, 0.0006109800000000, 0.0007738600000000 ] - [ 0.0000000000000000, -0.0012219700000000, 0.0007738600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005561000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000541500000000 ] - [ 0.0000000000000000, -0.0000053700000000, 0.0000315700000000 ] - [ 0.0000046500000000, 0.0000026800000000, 0.0000315700000000 ] - [ -0.0000046500000000, 0.0000026800000000, 0.0000315700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012963500000000 ] - [ 0.0000000000000000, 0.0000823500000000, -0.0000290200000000 ] - [ -0.0000713200000000, -0.0000411800000000, -0.0000290200000000 ] - [ 0.0000713200000000, -0.0000411800000000, -0.0000290200000000 ] - [ 0.0000000000000000, -0.0000105900000000, 0.0004077800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004088400000000 ] - [ -0.0000091700000000, 0.0000052900000000, 0.0004077800000000 ] - [ 0.0000091700000000, 0.0000052900000000, 0.0004077800000000 ] - [ 0.0000859600000000, -0.0000496300000000, 0.0012528300000000 ] - [ -0.0000859600000000, -0.0000496300000000, 0.0012528300000000 ] - [ 0.0000000000000000, 0.0000992600000000, 0.0012528300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010390000000000 ] - [ 0.0000000000000000, 0.0000010500000000, 0.0005357200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005383000000000 ] - [ 0.0000009100000000, -0.0000005300000000, 0.0005357200000000 ] - [ -0.0000009100000000, -0.0000005300000000, 0.0005357200000000 ] - [ 0.0000000000000000, 0.0148447100000000, -0.0101541400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026132800000000 ] - [ 0.0128558900000000, -0.0074223500000000, -0.0101541400000000 ] - [ -0.0128558900000000, -0.0074223500000000, -0.0101541400000000 ] - [ -0.0000010200000000, 0.0000005900000000, 0.0006278800000000 ] - [ 0.0000010200000000, 0.0000005900000000, 0.0006278800000000 ] - [ 0.0000000000000000, -0.0000011800000000, 0.0006278800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006277900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002096800000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0002216400000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0002216400000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0002216400000000 ] - [ 0.0000031200000000, -0.0000018000000000, -0.0003802300000000 ] - [ -0.0000031200000000, -0.0000018000000000, -0.0003802300000000 ] - [ 0.0000000000000000, 0.0000036000000000, -0.0003802300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003783100000000 ] - [ 0.0000354900000000, -0.0000204900000000, -0.0000262600000000 ] - [ -0.0000354900000000, -0.0000204900000000, -0.0000262600000000 ] - [ 0.0000000000000000, 0.0000409800000000, -0.0000262600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000576200000000 ] - [ 0.0000000000000000, -0.0000075600000000, 0.0005432800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006321200000000 ] - [ -0.0000065500000000, 0.0000037800000000, 0.0005432800000000 ] - [ 0.0000065500000000, 0.0000037800000000, 0.0005432800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009177400000000 ] - [ 0.0000000000000000, 0.0000022400000000, 0.0009201200000000 ] - [ -0.0000019400000000, -0.0000011200000000, 0.0009201200000000 ] - [ 0.0000019400000000, -0.0000011200000000, 0.0009201200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0484191600000000 ] - [ 0.0000000000000000, -0.0000700700000000, -0.0023956800000000 ] - [ 0.0000606800000000, 0.0000350300000000, -0.0023956800000000 ] - [ -0.0000606800000000, 0.0000350300000000, -0.0023956800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009631500000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0009690200000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0009690200000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0009690200000000 ] - [ 0.0000000000000000, 0.0000513100000000, 0.0001163900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006709000000000 ] - [ 0.0000444300000000, -0.0000256500000000, 0.0001163900000000 ] - [ -0.0000444300000000, -0.0000256500000000, 0.0001163900000000 ] - [ -0.0000040600000000, 0.0000023500000000, 0.0007039400000000 ] - [ 0.0000040600000000, 0.0000023500000000, 0.0007039400000000 ] - [ 0.0000000000000000, -0.0000046900000000, 0.0007039400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007120900000000 ] - [ 0.0000000000000000, -0.0000041600000000, 0.0003047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003018700000000 ] - [ -0.0000036100000000, 0.0000020800000000, 0.0003047900000000 ] - [ 0.0000036100000000, 0.0000020800000000, 0.0003047900000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003043900000000, -0.0000797200000000, 0.0010641200000000 ] - [ -0.0003104200000000, 0.0000910500000000, -0.0018857600000000 ] - [ 0.0005424000000000, 0.0000123600000000, -0.0004076700000000 ] - [ -0.0001594900000000, 0.0000066900000000, -0.0004047800000000 ] - [ 0.0000291100000000, 0.0000089600000000, 0.0003378700000000 ] - [ -0.0000542800000000, 0.0000090600000000, 0.0003384000000000 ] - [ -0.0000173400000000, 0.0000301800000000, 0.0003523800000000 ] - [ -0.0000173500000000, -0.0000125300000000, 0.0003249600000000 ] - [ 0.0000161300000000, -0.0000092400000000, 0.0000144000000000 ] - [ 0.0000168100000000, -0.0000080600000000, 0.0000131400000000 ] - [ 0.0000151600000000, -0.0000092300000000, 0.0000138700000000 ] - [ 0.0000175900000000, -0.0000087800000000, 0.0000135400000000 ] - [ 0.0000161600000000, -0.0000170200000000, 0.0004471400000000 ] - [ 0.0000167600000000, 0.0000003100000000, 0.0004552000000000 ] - [ 0.0000013800000000, -0.0000082800000000, 0.0004514000000000 ] - [ 0.0000309500000000, -0.0000079900000000, 0.0004513000000000 ] - [ -0.0003150600000000, 0.0000937300000000, -0.0057668900000000 ] - [ -0.0003031800000000, -0.0000767800000000, 0.0065819300000000 ] - [ -0.0001613400000000, 0.0000081300000000, 0.0004010000000000 ] - [ 0.0005411200000000, 0.0000102700000000, 0.0004092100000000 ] - [ -0.0000137900000000, 0.0000097900000000, 0.0001950900000000 ] - [ -0.0000135300000000, 0.0000104600000000, 0.0001950700000000 ] - [ -0.0000142600000000, 0.0000100100000000, 0.0001948500000000 ] - [ -0.0000138900000000, 0.0000102300000000, 0.0001948700000000 ] - [ -0.0719209900000000, -0.0010340400000000, -0.0009297600000000 ] - [ 0.0113373700000000, 0.0000476400000000, -0.0001551200000000 ] - [ -0.0006154400000000, -0.0068871900000000, 0.0030177500000000 ] - [ -0.0005988500000000, 0.0068872400000000, -0.0033417000000000 ] - [ -0.0000189400000000, -0.0002168400000000, -0.0006817400000000 ] - [ -0.0000181400000000, 0.0002363700000000, 0.0003106900000000 ] - [ -0.0005176600000000, 0.0000103000000000, -0.0001883500000000 ] - [ 0.0003740700000000, 0.0000104900000000, -0.0001848100000000 ] - [ 0.0000185000000000, -0.0000081800000000, 0.0003629800000000 ] - [ 0.0000165300000000, -0.0000086600000000, 0.0003632800000000 ] - [ 0.0000176700000000, -0.0000082300000000, 0.0003631000000000 ] - [ 0.0000168700000000, -0.0000091300000000, 0.0003630500000000 ] - [ -0.0000172600000000, 0.0002348800000000, -0.0004018700000000 ] - [ -0.0000180000000000, -0.0002171700000000, -0.0002513300000000 ] - [ 0.0003738800000000, 0.0000084500000000, -0.0003263500000000 ] - [ -0.0005155900000000, 0.0000080300000000, -0.0003268000000000 ] - [ 0.0000165300000000, -0.0000084300000000, 0.0000095500000000 ] - [ 0.0000163800000000, -0.0000084600000000, 0.0000098300000000 ] - [ 0.0000166400000000, -0.0000082200000000, 0.0000096400000000 ] - [ 0.0000163900000000, -0.0000083700000000, 0.0000098100000000 ] - [ -0.0000129900000000, 0.0000083500000000, 0.0004623200000000 ] - [ -0.0000129800000000, 0.0000085400000000, 0.0004616000000000 ] - [ -0.0000132600000000, 0.0000085600000000, 0.0004619400000000 ] - [ -0.0000128900000000, 0.0000085700000000, 0.0004617900000000 ] - [ 0.0000178300000000, -0.0000074100000000, -0.0007301900000000 ] - [ 0.0000154700000000, -0.0000078700000000, -0.0007298600000000 ] - [ 0.0000163100000000, -0.0000076900000000, -0.0007307100000000 ] - [ 0.0000159000000000, -0.0000083800000000, -0.0007293500000000 ] - [ 0.0000214200000000, -0.0000087400000000, -0.0005100800000000 ] - [ 0.0000134500000000, -0.0000084200000000, -0.0005113500000000 ] - [ 0.0000113100000000, -0.0000096000000000, -0.0003437300000000 ] - [ 0.0000114700000000, -0.0000073300000000, -0.0006790200000000 ] - [ 0.0000171400000000, -0.0000078200000000, -0.0002785800000000 ] - [ 0.0000162000000000, -0.0000089400000000, -0.0002673500000000 ] - [ 0.0000176900000000, -0.0000083500000000, -0.0002730200000000 ] - [ 0.0000153500000000, -0.0000088800000000, -0.0002729700000000 ] - [ -0.0000127600000000, 0.0000085700000000, 0.0000640200000000 ] - [ -0.0000144500000000, 0.0000085300000000, 0.0000640800000000 ] - [ -0.0000142800000000, 0.0000091500000000, 0.0000640300000000 ] - [ -0.0000143200000000, 0.0000089700000000, 0.0000640600000000 ] - [ 0.0000177200000000, -0.0000086500000000, -0.0000807400000000 ] - [ 0.0000170700000000, -0.0000089900000000, -0.0000805100000000 ] - [ 0.0000176500000000, -0.0000089100000000, -0.0000807400000000 ] - [ 0.0000170300000000, -0.0000092200000000, -0.0000805700000000 ] - [ 0.0000168500000000, -0.0000005000000000, -0.0005134800000000 ] - [ 0.0000163400000000, -0.0000175300000000, -0.0004876300000000 ] - [ 0.0000307800000000, -0.0000087800000000, -0.0005007400000000 ] - [ 0.0000017500000000, -0.0000090500000000, -0.0005005200000000 ] - [ 0.0000060900000000, -0.0000037300000000, 0.0000327700000000 ] - [ 0.0000058400000000, -0.0000044200000000, 0.0000333700000000 ] - [ 0.0000068500000000, -0.0000027400000000, 0.0000328700000000 ] - [ 0.0000056900000000, -0.0000031400000000, 0.0000342000000000 ] - [ -0.0000042900000000, 0.0000042000000000, -0.0003585500000000 ] - [ -0.0000059100000000, 0.0000032000000000, -0.0003893600000000 ] - [ -0.0000043600000000, 0.0000036400000000, -0.0003750200000000 ] - [ -0.0000051200000000, 0.0000025700000000, -0.0003736300000000 ] - [ -0.0000043800000000, 0.0000028400000000, 0.0003278300000000 ] - [ -0.0000051100000000, 0.0000031200000000, 0.0003288100000000 ] - [ -0.0000050100000000, 0.0000031900000000, 0.0003276300000000 ] - [ -0.0000044700000000, 0.0000028000000000, 0.0003272700000000 ] - [ -0.0000003200000000, -0.0004073400000000, 0.0009122600000000 ] - [ 0.0000018600000000, 0.0003990500000000, -0.0009406600000000 ] - [ -0.0015384700000000, -0.0000010800000000, -0.0000066600000000 ] - [ 0.0006991600000000, -0.0000013900000000, -0.0000167700000000 ] - [ -0.0000050800000000, 0.0000041400000000, 0.0007741600000000 ] - [ -0.0000054100000000, 0.0000042300000000, 0.0007765000000000 ] - [ -0.0000051100000000, 0.0000032100000000, 0.0007751900000000 ] - [ -0.0000048900000000, 0.0000029000000000, 0.0007765700000000 ] - [ -0.0000042300000000, 0.0000242600000000, 0.0001438800000000 ] - [ -0.0000039800000000, -0.0000184400000000, 0.0000967900000000 ] - [ 0.0000284000000000, 0.0000027900000000, 0.0001202400000000 ] - [ -0.0000410900000000, 0.0000030000000000, 0.0001215900000000 ] - [ 0.0000061600000000, -0.0000032800000000, -0.0001550400000000 ] - [ 0.0000067500000000, -0.0000031400000000, -0.0001556000000000 ] - [ 0.0000061500000000, -0.0000035000000000, -0.0001554800000000 ] - [ 0.0000065300000000, -0.0000032600000000, -0.0001550500000000 ] - [ 0.0029880200000000, -0.0000062600000000, 0.0003495800000000 ] - [ -0.0011809000000000, -0.0000046800000000, 0.0002162600000000 ] - [ 0.0000345000000000, 0.0006951300000000, -0.0004911300000000 ] - [ 0.0000276800000000, -0.0007044500000000, 0.0009178700000000 ] - [ 0.0292225300000000, -0.0158952000000000, -0.0112888200000000 ] - [ 0.0304727500000000, 0.0167670700000000, 0.0115134300000000 ] - [ 0.0015672700000000, 0.0001304300000000, -0.0002446800000000 ] - [ -0.0004657700000000, -0.0000044500000000, -0.0001977800000000 ] - [ 0.0000465700000000, -0.0000032400000000, -0.0007986600000000 ] - [ -0.0000326200000000, -0.0000033900000000, -0.0007977300000000 ] - [ -0.0000240500000000, 0.0000018200000000, -0.0012506600000000 ] - [ -0.0000246200000000, -0.0000078400000000, -0.0003443300000000 ] - [ -0.0000050100000000, 0.0000047200000000, -0.0004594700000000 ] - [ -0.0000057400000000, 0.0000032200000000, -0.0004606500000000 ] - [ -0.0000038600000000, 0.0000037100000000, -0.0004583400000000 ] - [ -0.0000064400000000, 0.0000030400000000, -0.0004615400000000 ] - [ -0.0000065000000000, 0.0000024900000000, 0.0001495600000000 ] - [ -0.0000030100000000, 0.0000034100000000, 0.0001488900000000 ] - [ -0.0000055600000000, 0.0000026100000000, 0.0001482800000000 ] - [ -0.0000039600000000, 0.0000046700000000, 0.0001483400000000 ] - [ 0.0000032800000000, -0.0000412900000000, 0.0005561900000000 ] - [ 0.0000049500000000, 0.0000346000000000, 0.0004454200000000 ] - [ -0.0000615300000000, -0.0000044500000000, 0.0005012400000000 ] - [ 0.0001215900000000, -0.0000035400000000, 0.0004989900000000 ] - [ 0.0000070500000000, -0.0000034200000000, 0.0002068700000000 ] - [ 0.0000073000000000, -0.0000027500000000, 0.0002066100000000 ] - [ 0.0000065300000000, -0.0000034800000000, 0.0002064800000000 ] - [ 0.0000078000000000, -0.0000033000000000, 0.0002067100000000 ] - [ -0.0000056000000000, 0.0000047700000000, 0.0005475100000000 ] - [ -0.0000041900000000, 0.0000003000000000, 0.0005444400000000 ] - [ -0.0000009500000000, 0.0000037700000000, 0.0005454300000000 ] - [ -0.0000081100000000, 0.0000045600000000, 0.0005459800000000 ] - [ -0.0000046100000000, 0.0000032700000000, -0.0001649600000000 ] - [ -0.0000050700000000, 0.0000036000000000, -0.0001629500000000 ] - [ -0.0000051700000000, 0.0000033500000000, -0.0001649000000000 ] - [ -0.0000045900000000, 0.0000030000000000, -0.0001641600000000 ] - [ -0.0000098000000000, 0.0000033600000000, 0.0002895600000000 ] - [ -0.0000011100000000, 0.0000034600000000, 0.0002903900000000 ] - [ -0.0000033500000000, 0.0000024000000000, 0.0003136200000000 ] - [ -0.0000032600000000, 0.0000050400000000, 0.0002669400000000 ] - [ 0.0002824500000000, 0.0001523100000000, 0.0006038000000000 ] - [ 0.0002814100000000, -0.0001572000000000, -0.0008290000000000 ] - [ -0.0000845800000000, -0.0000033400000000, -0.0001144900000000 ] - [ 0.0000139600000000, -0.0000037500000000, -0.0001134200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0061692900000000, 0.0035618400000000, 0.0009942700000000 ] - [ -0.0061692900000000, 0.0035618400000000, 0.0009942700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012453500000000 ] - [ 0.0000000000000000, -0.0071236800000000, 0.0009942700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007386700000000 ] - [ 0.0000000000000000, -0.0001884300000000, 0.0007613200000000 ] - [ 0.0001631800000000, 0.0000942100000000, 0.0007613200000000 ] - [ -0.0001631800000000, 0.0000942100000000, 0.0007613200000000 ] - [ -0.0000006100000000, -0.0000003500000000, 0.0004178100000000 ] - [ 0.0000006100000000, -0.0000003500000000, 0.0004178100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004209800000000 ] - [ 0.0000000000000000, 0.0000007000000000, 0.0004178100000000 ] - [ -0.0000299000000000, 0.0000172600000000, 0.0008635000000000 ] - [ 0.0000299000000000, 0.0000172600000000, 0.0008635000000000 ] - [ 0.0000000000000000, -0.0000345200000000, 0.0008635000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008952400000000 ] - [ -0.0014862600000000, 0.0008580900000000, 0.0018134500000000 ] - [ 0.0014862600000000, 0.0008580900000000, 0.0018134500000000 ] - [ 0.0000000000000000, -0.0017161800000000, 0.0018134500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004459100000000 ] - [ -0.0000010000000000, 0.0000005800000000, 0.0006098400000000 ] - [ 0.0000010000000000, 0.0000005800000000, 0.0006098400000000 ] - [ 0.0000000000000000, -0.0000011500000000, 0.0006098400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006107100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0745480400000000 ] - [ 0.0000000000000000, -0.0036737100000000, -0.0063077500000000 ] - [ 0.0031815300000000, 0.0018368600000000, -0.0063077500000000 ] - [ -0.0031815300000000, 0.0018368600000000, -0.0063077500000000 ] - [ 0.0000758400000000, 0.0000437800000000, 0.0003534300000000 ] - [ -0.0000758400000000, 0.0000437800000000, 0.0003534300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000092500000000 ] - [ 0.0000000000000000, -0.0000875700000000, 0.0003534300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007778900000000 ] - [ 0.0000000000000000, -0.0000010700000000, 0.0007824900000000 ] - [ 0.0000009300000000, 0.0000005300000000, 0.0007824900000000 ] - [ -0.0000009300000000, 0.0000005300000000, 0.0007824900000000 ] - [ 0.0004989800000000, -0.0002880900000000, 0.0002141000000000 ] - [ -0.0004989800000000, -0.0002880900000000, 0.0002141000000000 ] - [ 0.0000000000000000, 0.0005761700000000, 0.0002141000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001434200000000 ] - [ 0.0000009700000000, 0.0000005600000000, 0.0004272400000000 ] - [ -0.0000009700000000, 0.0000005600000000, 0.0004272400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004267500000000 ] - [ 0.0000000000000000, -0.0000011200000000, 0.0004272400000000 ] - [ -0.0000001300000000, -0.0000000700000000, 0.0008804400000000 ] - [ 0.0000001300000000, -0.0000000700000000, 0.0008804400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008801300000000 ] - [ 0.0000000000000000, 0.0000001500000000, 0.0008804400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003167700000000 ] - [ 0.0000000000000000, 0.0000007200000000, -0.0003140500000000 ] - [ -0.0000006200000000, -0.0000003600000000, -0.0003140500000000 ] - [ 0.0000006200000000, -0.0000003600000000, -0.0003140500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001051500000000 ] - [ 0.0000000000000000, -0.0000200500000000, -0.0000910800000000 ] - [ 0.0000173600000000, 0.0000100200000000, -0.0000910800000000 ] - [ -0.0000173600000000, 0.0000100200000000, -0.0000910800000000 ] - [ -0.0000009200000000, 0.0000005300000000, 0.0001349300000000 ] - [ 0.0000009200000000, 0.0000005300000000, 0.0001349300000000 ] - [ 0.0000000000000000, -0.0000010600000000, 0.0001349300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001356200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004661400000000 ] - [ 0.0000000000000000, 0.0000014500000000, 0.0004753500000000 ] - [ -0.0000012600000000, -0.0000007300000000, 0.0004753500000000 ] - [ 0.0000012600000000, -0.0000007300000000, 0.0004753500000000 ] - [ 0.0000008900000000, -0.0000005200000000, 0.0003443800000000 ] - [ -0.0000008900000000, -0.0000005200000000, 0.0003443800000000 ] - [ 0.0000000000000000, 0.0000010300000000, 0.0003443800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003452000000000 ] - [ 0.0000012900000000, 0.0000007400000000, -0.0000715100000000 ] - [ -0.0000012900000000, 0.0000007400000000, -0.0000715100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000614000000000 ] - [ 0.0000000000000000, -0.0000014900000000, -0.0000715100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003813100000000 ] - [ 0.0000000000000000, 0.0000007800000000, -0.0003811500000000 ] - [ -0.0000006700000000, -0.0000003900000000, -0.0003811500000000 ] - [ 0.0000006700000000, -0.0000003900000000, -0.0003811500000000 ] - [ -0.0000014400000000, 0.0000008300000000, -0.0007838700000000 ] - [ 0.0000014400000000, 0.0000008300000000, -0.0007838700000000 ] - [ 0.0000000000000000, -0.0000016700000000, -0.0007838700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007796000000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0000885400000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0000885400000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0000885400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000892900000000 ] - [ 0.0002255700000000, 0.0001302300000000, -0.0003305800000000 ] - [ -0.0002255700000000, 0.0001302300000000, -0.0003305800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005937600000000 ] - [ 0.0000000000000000, -0.0002604600000000, -0.0003305800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003759800000000 ] - [ 0.0000000000000000, 0.0000004300000000, 0.0003735200000000 ] - [ -0.0000003700000000, -0.0000002200000000, 0.0003735200000000 ] - [ 0.0000003700000000, -0.0000002200000000, 0.0003735200000000 ] - [ -0.0000028100000000, -0.0000016200000000, -0.0002906800000000 ] - [ 0.0000028100000000, -0.0000016200000000, -0.0002906800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003162200000000 ] - [ 0.0000000000000000, 0.0000032400000000, -0.0002906800000000 ] - [ -0.0000011800000000, -0.0000006800000000, -0.0005676400000000 ] - [ 0.0000011800000000, -0.0000006800000000, -0.0005676400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005679600000000 ] - [ 0.0000000000000000, 0.0000013700000000, -0.0005676400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0459710500000000 ] - [ 0.0000000000000000, 0.0000900300000000, 0.0028704700000000 ] - [ -0.0000779700000000, -0.0000450200000000, 0.0028704700000000 ] - [ 0.0000779700000000, -0.0000450200000000, 0.0028704700000000 ] - [ -0.0127656800000000, 0.0073702700000000, 0.0097218100000000 ] - [ 0.0127656800000000, 0.0073702700000000, 0.0097218100000000 ] - [ 0.0000000000000000, -0.0147405400000000, 0.0097218100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022866200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011849900000000 ] - [ 0.0000000000000000, -0.0000464700000000, -0.0012370300000000 ] - [ 0.0000402400000000, 0.0000232300000000, -0.0012370300000000 ] - [ -0.0000402400000000, 0.0000232300000000, -0.0012370300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008702400000000 ] - [ 0.0000000000000000, -0.0000026300000000, -0.0008764100000000 ] - [ 0.0000022800000000, 0.0000013100000000, -0.0008764100000000 ] - [ -0.0000022800000000, 0.0000013100000000, -0.0008764100000000 ] - [ 0.0000023800000000, 0.0000013700000000, -0.0002718400000000 ] - [ -0.0000023800000000, 0.0000013700000000, -0.0002718400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002722700000000 ] - [ 0.0000000000000000, -0.0000027500000000, -0.0002718400000000 ] - [ -0.0000714400000000, 0.0000412500000000, 0.0002132500000000 ] - [ 0.0000714400000000, 0.0000412500000000, 0.0002132500000000 ] - [ 0.0000000000000000, -0.0000824900000000, 0.0002132500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003297100000000 ] - [ -0.0000006300000000, 0.0000003600000000, -0.0002004700000000 ] - [ 0.0000006300000000, 0.0000003600000000, -0.0002004700000000 ] - [ 0.0000000000000000, -0.0000007200000000, -0.0002004700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001999700000000 ] - [ 0.0000094000000000, -0.0000054300000000, 0.0001250800000000 ] - [ -0.0000094000000000, -0.0000054300000000, 0.0001250800000000 ] - [ 0.0000000000000000, 0.0000108500000000, 0.0001250800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001183600000000 ] - [ 0.0000046500000000, 0.0000026900000000, -0.0005734900000000 ] - [ -0.0000046500000000, 0.0000026900000000, -0.0005734900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005709400000000 ] - [ 0.0000000000000000, -0.0000053700000000, -0.0005734900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000668800000000 ] - [ 0.0000000000000000, 0.0000385700000000, -0.0001386600000000 ] - [ -0.0000334000000000, -0.0000192800000000, -0.0001386600000000 ] - [ 0.0000334000000000, -0.0000192800000000, -0.0001386600000000 ] - [ -0.0010726100000000, -0.0006192700000000, -0.0008581500000000 ] - [ 0.0010726100000000, -0.0006192700000000, -0.0008581500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004802200000000 ] - [ 0.0000000000000000, 0.0012385400000000, -0.0008581500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0061748200000000, -0.0035650300000000, -0.0018309100000000 ] - [ 0.0061748200000000, -0.0035650300000000, -0.0018309100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004330900000000 ] - [ 0.0000000000000000, 0.0071300700000000, -0.0018309100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000619900000000 ] - [ 0.0000000000000000, 0.0001905000000000, -0.0000837400000000 ] - [ -0.0001649800000000, -0.0000952500000000, -0.0000837400000000 ] - [ 0.0001649800000000, -0.0000952500000000, -0.0000837400000000 ] - [ -0.0000003600000000, -0.0000002100000000, -0.0004044400000000 ] - [ 0.0000003600000000, -0.0000002100000000, -0.0004044400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004058700000000 ] - [ 0.0000000000000000, 0.0000004200000000, -0.0004044400000000 ] - [ 0.0000287200000000, -0.0000165800000000, 0.0000341300000000 ] - [ -0.0000287200000000, -0.0000165800000000, 0.0000341300000000 ] - [ 0.0000000000000000, 0.0000331700000000, 0.0000341300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000000100000000 ] - [ 0.0014629300000000, -0.0008446200000000, -0.0010021000000000 ] - [ -0.0014629300000000, -0.0008446200000000, -0.0010021000000000 ] - [ 0.0000000000000000, 0.0016892500000000, -0.0010021000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012425600000000 ] - [ -0.0000013200000000, 0.0000007600000000, -0.0002294700000000 ] - [ 0.0000013200000000, 0.0000007600000000, -0.0002294700000000 ] - [ 0.0000000000000000, -0.0000015200000000, -0.0002294700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002289000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0770711300000000 ] - [ 0.0000000000000000, 0.0036616400000000, 0.0059914100000000 ] - [ -0.0031710800000000, -0.0018308200000000, 0.0059914100000000 ] - [ 0.0031710800000000, -0.0018308200000000, 0.0059914100000000 ] - [ -0.0000760300000000, -0.0000438900000000, -0.0007258800000000 ] - [ 0.0000760300000000, -0.0000438900000000, -0.0007258800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003691200000000 ] - [ 0.0000000000000000, 0.0000877900000000, -0.0007258800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000473400000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0000497700000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0000497700000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0000497700000000 ] - [ -0.0004965700000000, 0.0002866900000000, -0.0008571300000000 ] - [ 0.0004965700000000, 0.0002866900000000, -0.0008571300000000 ] - [ 0.0000000000000000, -0.0005733900000000, -0.0008571300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005004000000000 ] - [ -0.0000001000000000, -0.0000000600000000, -0.0004074500000000 ] - [ 0.0000001000000000, -0.0000000600000000, -0.0004074500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004084600000000 ] - [ 0.0000000000000000, 0.0000001200000000, -0.0004074500000000 ] - [ 0.0000009900000000, 0.0000005700000000, 0.0000486100000000 ] - [ -0.0000009900000000, 0.0000005700000000, 0.0000486100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000478100000000 ] - [ 0.0000000000000000, -0.0000011400000000, 0.0000486100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011459500000000 ] - [ 0.0000000000000000, 0.0000011100000000, -0.0011527200000000 ] - [ -0.0000009600000000, -0.0000005600000000, -0.0011527200000000 ] - [ 0.0000009600000000, -0.0000005600000000, -0.0011527200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009200900000000 ] - [ 0.0000000000000000, 0.0000177400000000, -0.0009338200000000 ] - [ -0.0000153600000000, -0.0000088700000000, -0.0009338200000000 ] - [ 0.0000153600000000, -0.0000088700000000, -0.0009338200000000 ] - [ -0.0000002000000000, 0.0000001100000000, -0.0006800500000000 ] - [ 0.0000002000000000, 0.0000001100000000, -0.0006800500000000 ] - [ 0.0000000000000000, -0.0000002300000000, -0.0006800500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006802200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003324900000000 ] - [ 0.0000000000000000, -0.0000003300000000, -0.0003406900000000 ] - [ 0.0000002900000000, 0.0000001700000000, -0.0003406900000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0003406900000000 ] - [ 0.0000006900000000, -0.0000004000000000, -0.0004875900000000 ] - [ -0.0000006900000000, -0.0000004000000000, -0.0004875900000000 ] - [ 0.0000000000000000, 0.0000008000000000, -0.0004875900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004871000000000 ] - [ -0.0000017000000000, -0.0000009800000000, -0.0009149500000000 ] - [ 0.0000017000000000, -0.0000009800000000, -0.0009149500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009227200000000 ] - [ 0.0000000000000000, 0.0000019600000000, -0.0009149500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004368400000000 ] - [ 0.0000000000000000, -0.0000055600000000, 0.0004447200000000 ] - [ 0.0000048100000000, 0.0000027800000000, 0.0004447200000000 ] - [ -0.0000048100000000, 0.0000027800000000, 0.0004447200000000 ] - [ -0.0000030100000000, 0.0000017400000000, 0.0000290500000000 ] - [ 0.0000030100000000, 0.0000017400000000, 0.0000290500000000 ] - [ 0.0000000000000000, -0.0000034800000000, 0.0000290500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000305500000000 ] - [ 0.0000014900000000, -0.0000008600000000, 0.0007396500000000 ] - [ -0.0000014900000000, -0.0000008600000000, 0.0007396500000000 ] - [ 0.0000000000000000, 0.0000017200000000, 0.0007396500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007391000000000 ] - [ -0.0002295000000000, -0.0001325000000000, 0.0003213600000000 ] - [ 0.0002295000000000, -0.0001325000000000, 0.0003213600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005843500000000 ] - [ 0.0000000000000000, 0.0002650000000000, 0.0003213600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011964100000000 ] - [ 0.0000000000000000, -0.0000023200000000, 0.0011968900000000 ] - [ 0.0000020100000000, 0.0000011600000000, 0.0011968900000000 ] - [ -0.0000020100000000, 0.0000011600000000, 0.0011968900000000 ] - [ -0.0000088200000000, -0.0000050900000000, 0.0005218300000000 ] - [ 0.0000088200000000, -0.0000050900000000, 0.0005218300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005457100000000 ] - [ 0.0000000000000000, 0.0000101800000000, 0.0005218300000000 ] - [ -0.0000017400000000, -0.0000010100000000, 0.0002406600000000 ] - [ 0.0000017400000000, -0.0000010100000000, 0.0002406600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002391700000000 ] - [ 0.0000000000000000, 0.0000020100000000, 0.0002406600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0480818000000000 ] - [ 0.0000000000000000, -0.0000842100000000, -0.0024161200000000 ] - [ 0.0000729300000000, 0.0000421100000000, -0.0024161200000000 ] - [ -0.0000729300000000, 0.0000421100000000, -0.0024161200000000 ] - [ 0.0127070500000000, -0.0073364200000000, -0.0102358600000000 ] - [ -0.0127070500000000, -0.0073364200000000, -0.0102358600000000 ] - [ 0.0000000000000000, 0.0146728400000000, -0.0102358600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027043600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004286700000000 ] - [ 0.0000000000000000, 0.0000513900000000, -0.0003657500000000 ] - [ -0.0000445000000000, -0.0000256900000000, -0.0003657500000000 ] - [ 0.0000445000000000, -0.0000256900000000, -0.0003657500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000333200000000 ] - [ 0.0000000000000000, -0.0000029000000000, -0.0000435000000000 ] - [ 0.0000025200000000, 0.0000014500000000, -0.0000435000000000 ] - [ -0.0000025200000000, 0.0000014500000000, -0.0000435000000000 ] - [ -0.0000015300000000, -0.0000008800000000, 0.0005489000000000 ] - [ 0.0000015300000000, -0.0000008800000000, 0.0005489000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005454400000000 ] - [ 0.0000000000000000, 0.0000017600000000, 0.0005489000000000 ] - [ 0.0000624700000000, -0.0000360700000000, 0.0007814200000000 ] - [ -0.0000624700000000, -0.0000360700000000, 0.0007814200000000 ] - [ 0.0000000000000000, 0.0000721400000000, 0.0007814200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013217900000000 ] - [ -0.0000039900000000, 0.0000023000000000, 0.0006327000000000 ] - [ 0.0000039900000000, 0.0000023000000000, 0.0006327000000000 ] - [ 0.0000000000000000, -0.0000046100000000, 0.0006327000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006316300000000 ] - [ -0.0000068400000000, 0.0000039500000000, 0.0009582300000000 ] - [ 0.0000068400000000, 0.0000039500000000, 0.0009582300000000 ] - [ 0.0000000000000000, -0.0000079000000000, 0.0009582300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009444000000000 ] - [ 0.0000089700000000, 0.0000051800000000, 0.0002421400000000 ] - [ -0.0000089700000000, 0.0000051800000000, 0.0002421400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002409900000000 ] - [ 0.0000000000000000, -0.0000103600000000, 0.0002421400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006308100000000 ] - [ 0.0000000000000000, -0.0000181200000000, 0.0007175800000000 ] - [ 0.0000156900000000, 0.0000090600000000, 0.0007175800000000 ] - [ -0.0000156900000000, 0.0000090600000000, 0.0007175800000000 ] - [ 0.0010656800000000, 0.0006152700000000, 0.0006286800000000 ] - [ -0.0010656800000000, 0.0006152700000000, 0.0006286800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007024300000000 ] - [ 0.0000000000000000, -0.0012305500000000, 0.0006286800000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000280600000000, 0.0000094500000000, -0.0004150000000000 ] - [ -0.0000550800000000, 0.0000100900000000, -0.0004143500000000 ] - [ -0.0000186400000000, 0.0000303600000000, -0.0003998500000000 ] - [ -0.0000178200000000, -0.0000122600000000, -0.0004293000000000 ] - [ -0.0000143300000000, 0.0000104700000000, 0.0003365600000000 ] - [ -0.0000149800000000, 0.0000080900000000, 0.0003345600000000 ] - [ -0.0000128400000000, 0.0000088400000000, 0.0003349600000000 ] - [ -0.0000167000000000, 0.0000083800000000, 0.0003356700000000 ] - [ 0.0000135900000000, -0.0000091600000000, 0.0000231200000000 ] - [ 0.0000163900000000, -0.0000089300000000, 0.0000228400000000 ] - [ 0.0000150300000000, -0.0000093200000000, 0.0000222700000000 ] - [ 0.0000154000000000, -0.0000080100000000, 0.0000227600000000 ] - [ 0.0000138600000000, -0.0000081800000000, 0.0004568800000000 ] - [ 0.0000167000000000, -0.0000087900000000, 0.0004561200000000 ] - [ 0.0000156000000000, -0.0000087800000000, 0.0004561100000000 ] - [ 0.0000146800000000, -0.0000073300000000, 0.0004558500000000 ] - [ -0.0001603900000000, 0.0000064000000000, 0.0004168300000000 ] - [ 0.0005358700000000, 0.0000120200000000, 0.0004137000000000 ] - [ -0.0003134500000000, 0.0000920600000000, -0.0010664700000000 ] - [ -0.0003075400000000, -0.0000812200000000, 0.0018881300000000 ] - [ -0.0000149500000000, 0.0000095400000000, 0.0001947500000000 ] - [ -0.0000149700000000, 0.0000099600000000, 0.0001941200000000 ] - [ -0.0000152900000000, 0.0000104600000000, 0.0001942300000000 ] - [ -0.0000146000000000, 0.0000105200000000, 0.0001946400000000 ] - [ -0.0000194400000000, -0.0002160100000000, -0.0000881700000000 ] - [ -0.0000192600000000, 0.0002358600000000, -0.0002378800000000 ] - [ -0.0005170400000000, 0.0000092100000000, -0.0001628200000000 ] - [ 0.0003719500000000, 0.0000093400000000, -0.0001622600000000 ] - [ -0.0714725300000000, -0.0010322800000000, -0.0008107400000000 ] - [ 0.0113721800000000, 0.0000486800000000, -0.0001765000000000 ] - [ -0.0006213500000000, -0.0069088000000000, 0.0029436500000000 ] - [ -0.0006012200000000, 0.0069105400000000, -0.0033068700000000 ] - [ 0.0000165400000000, -0.0000081200000000, 0.0003557200000000 ] - [ 0.0000154600000000, -0.0000083300000000, 0.0003556600000000 ] - [ 0.0000162700000000, -0.0000085600000000, 0.0003559500000000 ] - [ 0.0000158000000000, -0.0000091600000000, 0.0003552100000000 ] - [ -0.0000002700000000, 0.0000085300000000, -0.0003340900000000 ] - [ -0.0000303700000000, 0.0000087800000000, -0.0003345500000000 ] - [ -0.0000151000000000, 0.0000168500000000, -0.0003351300000000 ] - [ -0.0000146400000000, -0.0000000600000000, -0.0003328200000000 ] - [ 0.0000163100000000, -0.0000082300000000, 0.0000075900000000 ] - [ 0.0000151000000000, -0.0000079000000000, 0.0000086400000000 ] - [ 0.0000150300000000, -0.0000085900000000, 0.0000087300000000 ] - [ 0.0000155700000000, -0.0000088100000000, 0.0000088200000000 ] - [ -0.0000155600000000, 0.0000082000000000, 0.0004586900000000 ] - [ -0.0000133900000000, 0.0000086200000000, 0.0004584000000000 ] - [ -0.0000146200000000, 0.0000080400000000, 0.0004662900000000 ] - [ -0.0000139700000000, 0.0000091000000000, 0.0004507000000000 ] - [ 0.0000146500000000, 0.0000014100000000, -0.0007566300000000 ] - [ 0.0000151600000000, -0.0000170900000000, -0.0006970800000000 ] - [ 0.0000301500000000, -0.0000080800000000, -0.0007276000000000 ] - [ -0.0000011100000000, -0.0000077700000000, -0.0007273300000000 ] - [ -0.0005367400000000, -0.0009202800000000, 0.0055691700000000 ] - [ -0.0005479200000000, 0.0009035800000000, -0.0065915900000000 ] - [ -0.0007969000000000, -0.0000074500000000, -0.0005083000000000 ] - [ 0.0010371800000000, -0.0000079800000000, -0.0005203800000000 ] - [ 0.0000727800000000, -0.0000079800000000, -0.0002703000000000 ] - [ -0.0000383000000000, -0.0000079000000000, -0.0002694400000000 ] - [ 0.0000139500000000, 0.0000248400000000, -0.0004448700000000 ] - [ 0.0000140300000000, -0.0000430400000000, -0.0000946000000000 ] - [ -0.0000152400000000, 0.0000085100000000, 0.0000655800000000 ] - [ -0.0000158300000000, 0.0000090400000000, 0.0000666500000000 ] - [ -0.0000157100000000, 0.0000089900000000, 0.0000661500000000 ] - [ -0.0000151200000000, 0.0000086100000000, 0.0000659100000000 ] - [ 0.0000159900000000, -0.0000088100000000, -0.0000879200000000 ] - [ 0.0000160900000000, -0.0000085900000000, -0.0000880100000000 ] - [ 0.0000162800000000, -0.0000094800000000, -0.0000877800000000 ] - [ 0.0000165800000000, -0.0000089600000000, -0.0000871300000000 ] - [ 0.0004257400000000, -0.0000084500000000, -0.0005093700000000 ] - [ -0.0004018200000000, -0.0000098400000000, -0.0005093800000000 ] - [ 0.0000503900000000, 0.0002516400000000, -0.0011928200000000 ] - [ 0.0000486300000000, -0.0002695600000000, 0.0001773300000000 ] - [ 0.0000007700000000, -0.0000019300000000, 0.0000395600000000 ] - [ 0.0000097500000000, 0.0000021600000000, 0.0000375800000000 ] - [ 0.0000012500000000, -0.0000096500000000, 0.0000395000000000 ] - [ 0.0000086000000000, -0.0000045100000000, 0.0000333400000000 ] - [ 0.0000616500000000, 0.0000018700000000, -0.0003681600000000 ] - [ -0.0000542900000000, 0.0000015900000000, -0.0003687600000000 ] - [ -0.0000190000000000, 0.0000516400000000, 0.0001038500000000 ] - [ -0.0000191800000000, -0.0000416700000000, -0.0008426900000000 ] - [ -0.0000089700000000, 0.0000051900000000, 0.0003292000000000 ] - [ -0.0000026100000000, 0.0000026200000000, 0.0003268000000000 ] - [ -0.0000034700000000, 0.0000002300000000, 0.0003293600000000 ] - [ -0.0000080600000000, 0.0000037000000000, 0.0003324500000000 ] - [ 0.0029713700000000, -0.0000102800000000, 0.0001139600000000 ] - [ -0.0011887600000000, -0.0000019600000000, -0.0000270100000000 ] - [ 0.0000283500000000, 0.0006998500000000, -0.0007247700000000 ] - [ 0.0000319300000000, -0.0007076500000000, 0.0006724000000000 ] - [ -0.0000081000000000, 0.0000012100000000, 0.0007754700000000 ] - [ -0.0000043700000000, 0.0000004000000000, 0.0007773400000000 ] - [ -0.0000055800000000, 0.0000055000000000, 0.0007742300000000 ] - [ -0.0000071600000000, 0.0000074700000000, 0.0007752200000000 ] - [ 0.0006472700000000, -0.0000019200000000, 0.0001239000000000 ] - [ -0.0008793700000000, 0.0000021700000000, 0.0001281800000000 ] - [ 0.0001863700000000, 0.0006219500000000, 0.0017247300000000 ] - [ 0.0001950500000000, -0.0006140900000000, -0.0014854000000000 ] - [ 0.0000075700000000, -0.0000038100000000, -0.0001462700000000 ] - [ 0.0000029100000000, -0.0000052700000000, -0.0001438000000000 ] - [ 0.0000067700000000, -0.0000006900000000, -0.0001422800000000 ] - [ 0.0000042600000000, -0.0000033400000000, -0.0001449800000000 ] - [ 0.0000036700000000, 0.0000364100000000, 0.0001532400000000 ] - [ 0.0000026300000000, -0.0000432800000000, 0.0002692100000000 ] - [ 0.0001243400000000, -0.0000026900000000, 0.0002089800000000 ] - [ -0.0000661600000000, -0.0000032700000000, 0.0002115000000000 ] - [ 0.0000082900000000, -0.0000039400000000, -0.0002003700000000 ] - [ -0.0000799000000000, -0.0000044000000000, -0.0001927500000000 ] - [ 0.0002815500000000, -0.0001601400000000, -0.0009117500000000 ] - [ 0.0002809000000000, 0.0001548000000000, 0.0005240200000000 ] - [ 0.0301492300000000, 0.0167379900000000, 0.0109051700000000 ] - [ 0.0289090000000000, -0.0158649200000000, -0.0118702100000000 ] - [ -0.0004171800000000, -0.0000065300000000, -0.0007956800000000 ] - [ 0.0013003900000000, 0.0001336300000000, -0.0008340100000000 ] - [ -0.0000039400000000, 0.0000203600000000, -0.0004057300000000 ] - [ -0.0000061000000000, -0.0000122900000000, -0.0005515400000000 ] - [ 0.0000183800000000, 0.0000037800000000, -0.0004740600000000 ] - [ -0.0000332700000000, 0.0000026500000000, -0.0004793600000000 ] - [ -0.0000066400000000, 0.0000041600000000, 0.0001511400000000 ] - [ -0.0000048200000000, 0.0000040600000000, 0.0001521700000000 ] - [ -0.0000059800000000, 0.0000018500000000, 0.0001521100000000 ] - [ -0.0000059600000000, 0.0000029800000000, 0.0001534200000000 ] - [ 0.0000074600000000, -0.0000066400000000, 0.0005018600000000 ] - [ 0.0000039100000000, -0.0000071200000000, 0.0005000100000000 ] - [ 0.0000055200000000, 0.0000007300000000, 0.0005044000000000 ] - [ 0.0000048300000000, -0.0000017200000000, 0.0005022800000000 ] - [ 0.0000058600000000, -0.0000011100000000, 0.0001857500000000 ] - [ 0.0000062100000000, -0.0000060800000000, 0.0001868400000000 ] - [ 0.0000103600000000, -0.0000027800000000, 0.0001896300000000 ] - [ 0.0000017900000000, -0.0000026900000000, 0.0001862100000000 ] - [ -0.0000041800000000, 0.0000041000000000, 0.0005245900000000 ] - [ -0.0000075100000000, 0.0000039200000000, 0.0005278900000000 ] - [ -0.0000058400000000, 0.0000036200000000, 0.0005300000000000 ] - [ -0.0000060200000000, 0.0000018200000000, 0.0005319000000000 ] - [ -0.0000139800000000, 0.0000042400000000, -0.0001581300000000 ] - [ 0.0000020200000000, -0.0000004200000000, -0.0001652100000000 ] - [ -0.0000024800000000, -0.0000002400000000, -0.0001765700000000 ] - [ -0.0000101000000000, 0.0000095800000000, -0.0001392600000000 ] - [ -0.0000037300000000, -0.0000004100000000, 0.0003045900000000 ] - [ -0.0000089300000000, -0.0000014400000000, 0.0002976400000000 ] - [ -0.0000053700000000, 0.0000098300000000, 0.0002973800000000 ] - [ -0.0000069000000000, 0.0000062400000000, 0.0002957400000000 ] - [ -0.0000033400000000, -0.0000036000000000, -0.0001153300000000 ] - [ 0.0000139000000000, -0.0000064600000000, -0.0001145500000000 ] - [ 0.0000101700000000, -0.0000046500000000, -0.0000930300000000 ] - [ 0.0000050600000000, 0.0000023600000000, -0.0001347200000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000066700000000 ] - [ 0.0000000000000000, -0.0001884300000000, 0.0000163600000000 ] - [ 0.0001631900000000, 0.0000942200000000, 0.0000163600000000 ] - [ -0.0001631900000000, 0.0000942200000000, 0.0000163600000000 ] - [ 0.0000068000000000, 0.0000039200000000, 0.0007572400000000 ] - [ -0.0000068000000000, 0.0000039200000000, 0.0007572400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007560800000000 ] - [ 0.0000000000000000, -0.0000078500000000, 0.0007572400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004321300000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0004361800000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0004361800000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0004361800000000 ] - [ 0.0000000000000000, -0.0000011300000000, 0.0008780100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008789300000000 ] - [ -0.0000009800000000, 0.0000005700000000, 0.0008780100000000 ] - [ 0.0000009800000000, 0.0000005700000000, 0.0008780100000000 ] - [ 0.0000000000000000, -0.0071181200000000, 0.0018114600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004240400000000 ] - [ -0.0061644700000000, 0.0035590600000000, 0.0018114600000000 ] - [ 0.0061644700000000, 0.0035590600000000, 0.0018114600000000 ] - [ 0.0000000000000000, 0.0000006300000000, 0.0006186000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006189100000000 ] - [ 0.0000005500000000, -0.0000003200000000, 0.0006186000000000 ] - [ -0.0000005500000000, -0.0000003200000000, 0.0006186000000000 ] - [ -0.0004970700000000, -0.0002869900000000, 0.0003794700000000 ] - [ 0.0004970700000000, -0.0002869900000000, 0.0003794700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000200800000000 ] - [ 0.0000000000000000, 0.0005739700000000, 0.0003794700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0747041300000000 ] - [ 0.0000000000000000, -0.0036114600000000, -0.0063288500000000 ] - [ 0.0031276100000000, 0.0018057300000000, -0.0063288500000000 ] - [ -0.0031276100000000, 0.0018057300000000, -0.0063288500000000 ] - [ 0.0000002300000000, 0.0000001400000000, 0.0007798500000000 ] - [ -0.0000002300000000, 0.0000001400000000, 0.0007798500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007797700000000 ] - [ 0.0000000000000000, -0.0000002700000000, 0.0007798500000000 ] - [ 0.0000000000000000, 0.0000279600000000, 0.0000964000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000883700000000 ] - [ 0.0000242100000000, -0.0000139800000000, 0.0000964000000000 ] - [ -0.0000242100000000, -0.0000139800000000, 0.0000964000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004203100000000 ] - [ 0.0000000000000000, -0.0000004700000000, 0.0004266200000000 ] - [ 0.0000004100000000, 0.0000002400000000, 0.0004266200000000 ] - [ -0.0000004100000000, 0.0000002400000000, 0.0004266200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008837000000000 ] - [ 0.0000000000000000, -0.0000008300000000, 0.0008815200000000 ] - [ 0.0000007200000000, 0.0000004200000000, 0.0008815200000000 ] - [ -0.0000007200000000, 0.0000004200000000, 0.0008815200000000 ] - [ -0.0000038600000000, -0.0000022300000000, -0.0003102700000000 ] - [ 0.0000038600000000, -0.0000022300000000, -0.0003102700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002779500000000 ] - [ 0.0000000000000000, 0.0000044600000000, -0.0003102700000000 ] - [ 0.0018090200000000, 0.0010444400000000, 0.0007137800000000 ] - [ -0.0018090200000000, 0.0010444400000000, 0.0007137800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010641100000000 ] - [ 0.0000000000000000, -0.0020888800000000, 0.0007137800000000 ] - [ 0.0000000000000000, -0.0000446500000000, 0.0001768600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000796900000000 ] - [ -0.0000386700000000, 0.0000223200000000, 0.0001768600000000 ] - [ 0.0000386700000000, 0.0000223200000000, 0.0001768600000000 ] - [ 0.0000003300000000, 0.0000001900000000, 0.0004885500000000 ] - [ -0.0000003300000000, 0.0000001900000000, 0.0004885500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004892600000000 ] - [ 0.0000000000000000, -0.0000003800000000, 0.0004885500000000 ] - [ 0.0000000000000000, 0.0000007100000000, 0.0003378700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003377200000000 ] - [ 0.0000006200000000, -0.0000003600000000, 0.0003378700000000 ] - [ -0.0000006200000000, -0.0000003600000000, 0.0003378700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007401700000000 ] - [ 0.0000000000000000, 0.0000639300000000, -0.0002984200000000 ] - [ -0.0000553700000000, -0.0000319700000000, -0.0002984200000000 ] - [ 0.0000553700000000, -0.0000319700000000, -0.0002984200000000 ] - [ 0.0000006800000000, 0.0000003900000000, -0.0003880700000000 ] - [ -0.0000006800000000, 0.0000003900000000, -0.0003880700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003861800000000 ] - [ 0.0000000000000000, -0.0000007800000000, -0.0003880700000000 ] - [ 0.0000000000000000, -0.0000952800000000, -0.0008547300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006375400000000 ] - [ -0.0000825100000000, 0.0000476400000000, -0.0008547300000000 ] - [ 0.0000825100000000, 0.0000476400000000, -0.0008547300000000 ] - [ 0.0000000000000000, 0.0000006100000000, -0.0000926100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000925500000000 ] - [ 0.0000005300000000, -0.0000003100000000, -0.0000926100000000 ] - [ -0.0000005300000000, -0.0000003100000000, -0.0000926100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0459002900000000 ] - [ 0.0000000000000000, 0.0000826400000000, 0.0026075000000000 ] - [ -0.0000715700000000, -0.0000413200000000, 0.0026075000000000 ] - [ 0.0000715700000000, -0.0000413200000000, 0.0026075000000000 ] - [ 0.0000003200000000, 0.0000001900000000, 0.0003650900000000 ] - [ -0.0000003200000000, 0.0000001900000000, 0.0003650900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003660100000000 ] - [ 0.0000000000000000, -0.0000003700000000, 0.0003650900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008514800000000 ] - [ 0.0000000000000000, -0.0000872800000000, 0.0004862100000000 ] - [ 0.0000755800000000, 0.0000436400000000, 0.0004862100000000 ] - [ -0.0000755800000000, 0.0000436400000000, 0.0004862100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005819400000000 ] - [ 0.0000000000000000, -0.0000009200000000, -0.0005807200000000 ] - [ 0.0000008000000000, 0.0000004600000000, -0.0005807200000000 ] - [ -0.0000008000000000, 0.0000004600000000, -0.0005807200000000 ] - [ 0.0000664900000000, 0.0000383900000000, -0.0000713500000000 ] - [ -0.0000664900000000, 0.0000383900000000, -0.0000713500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006106800000000 ] - [ 0.0000000000000000, -0.0000767800000000, -0.0000713500000000 ] - [ 0.0000000000000000, 0.0012368000000000, -0.0009485400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003907400000000 ] - [ 0.0010711000000000, -0.0006184000000000, -0.0009485400000000 ] - [ -0.0010711000000000, -0.0006184000000000, -0.0009485400000000 ] - [ 0.0129261300000000, 0.0074629000000000, 0.0091065800000000 ] - [ -0.0129261300000000, 0.0074629000000000, 0.0091065800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016522800000000 ] - [ 0.0000000000000000, -0.0149258100000000, 0.0091065800000000 ] - [ -0.0000039000000000, -0.0000022500000000, -0.0008606300000000 ] - [ 0.0000039000000000, -0.0000022500000000, -0.0008606300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009470300000000 ] - [ 0.0000000000000000, 0.0000045100000000, -0.0008606300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002721500000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0002716100000000 ] - [ -0.0000001800000000, -0.0000001000000000, -0.0002716100000000 ] - [ 0.0000001800000000, -0.0000001000000000, -0.0002716100000000 ] - [ 0.0000000000000000, -0.0000017000000000, 0.0000825700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000669100000000 ] - [ -0.0000014700000000, 0.0000008500000000, 0.0000825700000000 ] - [ 0.0000014700000000, 0.0000008500000000, 0.0000825700000000 ] - [ 0.0000000000000000, 0.0000009100000000, -0.0002117300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002119200000000 ] - [ 0.0000007900000000, -0.0000004600000000, -0.0002117300000000 ] - [ -0.0000007900000000, -0.0000004600000000, -0.0002117300000000 ] - [ 0.0000000000000000, -0.0000002200000000, 0.0001226200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001224500000000 ] - [ -0.0000001900000000, 0.0000001100000000, 0.0001226200000000 ] - [ 0.0000001900000000, 0.0000001100000000, 0.0001226200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005812400000000 ] - [ 0.0000000000000000, -0.0000018200000000, -0.0005917200000000 ] - [ 0.0000015800000000, 0.0000009100000000, -0.0005917200000000 ] - [ -0.0000015800000000, 0.0000009100000000, -0.0005917200000000 ] - [ -0.0000014900000000, -0.0000008600000000, -0.0001364500000000 ] - [ 0.0000014900000000, -0.0000008600000000, -0.0001364500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001290300000000 ] - [ 0.0000000000000000, 0.0000017300000000, -0.0001364500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004713600000000 ] - [ 0.0000000000000000, 0.0000415400000000, -0.0005482200000000 ] - [ -0.0000359800000000, -0.0000207700000000, -0.0005482200000000 ] - [ 0.0000359800000000, -0.0000207700000000, -0.0005482200000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008088300000000 ] - [ 0.0000000000000000, 0.0001881100000000, -0.0008300100000000 ] - [ -0.0001629100000000, -0.0000940500000000, -0.0008300100000000 ] - [ 0.0001629100000000, -0.0000940500000000, -0.0008300100000000 ] - [ -0.0000065700000000, -0.0000037900000000, -0.0000777000000000 ] - [ 0.0000065700000000, -0.0000037900000000, -0.0000777000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000760500000000 ] - [ 0.0000000000000000, 0.0000075800000000, -0.0000777000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004139400000000 ] - [ 0.0000000000000000, -0.0000006100000000, -0.0004172800000000 ] - [ 0.0000005300000000, 0.0000003000000000, -0.0004172800000000 ] - [ -0.0000005300000000, 0.0000003000000000, -0.0004172800000000 ] - [ 0.0000000000000000, 0.0000005600000000, 0.0000225800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000221800000000 ] - [ 0.0000004900000000, -0.0000002800000000, 0.0000225800000000 ] - [ -0.0000004900000000, -0.0000002800000000, 0.0000225800000000 ] - [ 0.0000000000000000, 0.0071212000000000, -0.0010408600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012172000000000 ] - [ 0.0061671400000000, -0.0035606000000000, -0.0010408600000000 ] - [ -0.0061671400000000, -0.0035606000000000, -0.0010408600000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0002293100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002291200000000 ] - [ -0.0000003000000000, 0.0000001700000000, -0.0002293100000000 ] - [ 0.0000003000000000, 0.0000001700000000, -0.0002293100000000 ] - [ 0.0004945500000000, 0.0002855300000000, -0.0007005100000000 ] - [ -0.0004945500000000, 0.0002855300000000, -0.0007005100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003434200000000 ] - [ 0.0000000000000000, -0.0005710600000000, -0.0007005100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0774892900000000 ] - [ 0.0000000000000000, 0.0035993000000000, 0.0059574300000000 ] - [ -0.0031170800000000, -0.0017996500000000, 0.0059574300000000 ] - [ 0.0031170800000000, -0.0017996500000000, 0.0059574300000000 ] - [ -0.0000002700000000, -0.0000001500000000, -0.0000541300000000 ] - [ 0.0000002700000000, -0.0000001500000000, -0.0000541300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000536200000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0000541300000000 ] - [ 0.0000000000000000, -0.0000277500000000, -0.0007468500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007382300000000 ] - [ -0.0000240400000000, 0.0000138800000000, -0.0007468500000000 ] - [ 0.0000240400000000, 0.0000138800000000, -0.0007468500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004016400000000 ] - [ 0.0000000000000000, 0.0000004800000000, -0.0004049900000000 ] - [ -0.0000004100000000, -0.0000002400000000, -0.0004049900000000 ] - [ 0.0000004100000000, -0.0000002400000000, -0.0004049900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000443500000000 ] - [ 0.0000000000000000, 0.0000007700000000, 0.0000432100000000 ] - [ -0.0000006600000000, -0.0000003800000000, 0.0000432100000000 ] - [ 0.0000006600000000, -0.0000003800000000, 0.0000432100000000 ] - [ 0.0000039300000000, 0.0000022700000000, -0.0011512700000000 ] - [ -0.0000039300000000, 0.0000022700000000, -0.0011512700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011826500000000 ] - [ 0.0000000000000000, -0.0000045400000000, -0.0011512700000000 ] - [ -0.0017776300000000, -0.0010263100000000, -0.0017309800000000 ] - [ 0.0017776300000000, -0.0010263100000000, -0.0017309800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000372200000000 ] - [ 0.0000000000000000, 0.0020526300000000, -0.0017309800000000 ] - [ 0.0000000000000000, 0.0000440800000000, -0.0007311100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006355400000000 ] - [ 0.0000381700000000, -0.0000220400000000, -0.0007311100000000 ] - [ -0.0000381700000000, -0.0000220400000000, -0.0007311100000000 ] - [ -0.0000003600000000, -0.0000002100000000, -0.0003656500000000 ] - [ 0.0000003600000000, -0.0000002100000000, -0.0003656500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003659100000000 ] - [ 0.0000000000000000, 0.0000004200000000, -0.0003656500000000 ] - [ 0.0000000000000000, -0.0000006900000000, -0.0004935400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004934000000000 ] - [ -0.0000006000000000, 0.0000003500000000, -0.0004935400000000 ] - [ 0.0000006000000000, 0.0000003500000000, -0.0004935400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017210500000000 ] - [ 0.0000000000000000, -0.0000632000000000, -0.0007013800000000 ] - [ 0.0000547300000000, 0.0000316000000000, -0.0007013800000000 ] - [ -0.0000547300000000, 0.0000316000000000, -0.0007013800000000 ] - [ -0.0000011000000000, -0.0000006300000000, 0.0004564800000000 ] - [ 0.0000011000000000, -0.0000006300000000, 0.0004564800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004544900000000 ] - [ 0.0000000000000000, 0.0000012700000000, 0.0004564800000000 ] - [ 0.0000000000000000, 0.0000955900000000, 0.0001048800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001104800000000 ] - [ 0.0000827800000000, -0.0000477900000000, 0.0001048800000000 ] - [ -0.0000827800000000, -0.0000477900000000, 0.0001048800000000 ] - [ 0.0000000000000000, 0.0000005200000000, 0.0007545800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007545900000000 ] - [ 0.0000004500000000, -0.0000002600000000, 0.0007545800000000 ] - [ -0.0000004500000000, -0.0000002600000000, 0.0007545800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0485340500000000 ] - [ 0.0000000000000000, -0.0000711600000000, -0.0026278100000000 ] - [ 0.0000616300000000, 0.0000355800000000, -0.0026278100000000 ] - [ -0.0000616300000000, 0.0000355800000000, -0.0026278100000000 ] - [ 0.0000003100000000, 0.0000001800000000, 0.0011932700000000 ] - [ -0.0000003100000000, 0.0000001800000000, 0.0011932700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011921400000000 ] - [ 0.0000000000000000, -0.0000003600000000, 0.0011932700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011028100000000 ] - [ 0.0000000000000000, 0.0000823700000000, -0.0002299400000000 ] - [ -0.0000713300000000, -0.0000411800000000, -0.0002299400000000 ] - [ 0.0000713300000000, -0.0000411800000000, -0.0002299400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002628000000000 ] - [ 0.0000000000000000, -0.0000004400000000, 0.0002631500000000 ] - [ 0.0000003800000000, 0.0000002200000000, 0.0002631500000000 ] - [ -0.0000003800000000, 0.0000002200000000, 0.0002631500000000 ] - [ -0.0000675100000000, -0.0000389800000000, 0.0004953900000000 ] - [ 0.0000675100000000, -0.0000389800000000, 0.0004953900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010323100000000 ] - [ 0.0000000000000000, 0.0000779500000000, 0.0004953900000000 ] - [ 0.0000000000000000, -0.0012301100000000, 0.0005392600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007877100000000 ] - [ -0.0010653000000000, 0.0006150500000000, 0.0005392600000000 ] - [ 0.0010653000000000, 0.0006150500000000, 0.0005392600000000 ] - [ -0.0128525800000000, -0.0074204400000000, -0.0108037300000000 ] - [ 0.0128525800000000, -0.0074204400000000, -0.0108037300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032536300000000 ] - [ 0.0000000000000000, 0.0148408900000000, -0.0108037300000000 ] - [ 0.0000034000000000, 0.0000019600000000, -0.0000767300000000 ] - [ -0.0000034000000000, 0.0000019600000000, -0.0000767300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000066500000000 ] - [ 0.0000000000000000, -0.0000039300000000, -0.0000767300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005608700000000 ] - [ 0.0000000000000000, 0.0000005800000000, 0.0005613600000000 ] - [ -0.0000005100000000, -0.0000002900000000, 0.0005613600000000 ] - [ 0.0000005100000000, -0.0000002900000000, 0.0005613600000000 ] - [ 0.0000000000000000, 0.0000084200000000, 0.0009138800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009405100000000 ] - [ 0.0000072900000000, -0.0000042100000000, 0.0009138800000000 ] - [ -0.0000072900000000, -0.0000042100000000, 0.0009138800000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0006185900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006174400000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0006185900000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0006185900000000 ] - [ 0.0000000000000000, 0.0000024200000000, 0.0009629400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009614500000000 ] - [ 0.0000020900000000, -0.0000012100000000, 0.0009629400000000 ] - [ -0.0000020900000000, -0.0000012100000000, 0.0009629400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002422500000000 ] - [ 0.0000000000000000, 0.0000021900000000, 0.0002547400000000 ] - [ -0.0000019000000000, -0.0000011000000000, 0.0002547400000000 ] - [ 0.0000019000000000, -0.0000011000000000, 0.0002547400000000 ] - [ 0.0000009800000000, 0.0000005700000000, 0.0007012100000000 ] - [ -0.0000009800000000, 0.0000005700000000, 0.0007012100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007003200000000 ] - [ 0.0000000000000000, -0.0000011300000000, 0.0007012100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002517000000000 ] - [ 0.0000000000000000, -0.0000324000000000, 0.0003237300000000 ] - [ 0.0000280600000000, 0.0000162000000000, 0.0003237300000000 ] - [ -0.0000280600000000, 0.0000162000000000, 0.0003237300000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000093200000000, 0.0000108800000000, -0.0003886300000000 ] - [ -0.0000188100000000, 0.0000199100000000, -0.0003635800000000 ] - [ -0.0000221400000000, 0.0000051400000000, -0.0003795600000000 ] - [ -0.0000061500000000, -0.0000002600000000, -0.0003801600000000 ] - [ -0.0000226900000000, 0.0000221400000000, 0.0003113400000000 ] - [ -0.0000056300000000, 0.0000392500000000, 0.0002959400000000 ] - [ -0.0000336200000000, -0.0000217500000000, 0.0001302800000000 ] - [ -0.0000051300000000, -0.0000060700000000, 0.0004577000000000 ] - [ -0.0003025500000000, -0.0001048000000000, -0.0059846700000000 ] - [ -0.0002537600000000, 0.0000882000000000, 0.0063550000000000 ] - [ 0.0005514100000000, -0.0000200100000000, 0.0001804600000000 ] - [ -0.0001113700000000, 0.0000033600000000, 0.0001670800000000 ] - [ 0.0000065400000000, 0.0002121700000000, -0.0001346600000000 ] - [ 0.0000172500000000, -0.0002283900000000, 0.0008371600000000 ] - [ 0.0003930300000000, -0.0000128300000000, 0.0003551200000000 ] - [ -0.0004759100000000, -0.0000067200000000, 0.0003420800000000 ] - [ -0.0000140400000000, 0.0000054400000000, 0.0005362000000000 ] - [ -0.0000173400000000, 0.0000210300000000, 0.0005524300000000 ] - [ -0.0000291300000000, 0.0000053600000000, 0.0005504400000000 ] - [ -0.0000017900000000, 0.0000034200000000, 0.0005459000000000 ] - [ -0.0000351500000000, 0.0000244100000000, 0.0000541700000000 ] - [ 0.0000031800000000, -0.0000194100000000, 0.0001341700000000 ] - [ 0.0000217600000000, 0.0000058800000000, 0.0000974600000000 ] - [ -0.0000479200000000, 0.0000279500000000, 0.0000924900000000 ] - [ -0.0000254900000000, 0.0000131400000000, -0.0002177500000000 ] - [ -0.0000039800000000, 0.0000120800000000, -0.0002122300000000 ] - [ -0.0000143300000000, -0.0000002200000000, -0.0002048100000000 ] - [ -0.0000156500000000, 0.0000122900000000, -0.0002142800000000 ] - [ -0.0000010200000000, -0.0000153300000000, -0.0002408600000000 ] - [ -0.0000297000000000, 0.0000279800000000, -0.0002322400000000 ] - [ -0.0000526400000000, 0.0000212600000000, -0.0002391700000000 ] - [ 0.0000214600000000, 0.0000046300000000, -0.0002490800000000 ] - [ -0.0717686400000000, 0.0010420000000000, -0.0002856000000000 ] - [ 0.0113529800000000, -0.0000051600000000, 0.0003460800000000 ] - [ -0.0005587100000000, -0.0069017800000000, -0.0028500400000000 ] - [ -0.0005938400000000, 0.0068554700000000, 0.0034989400000000 ] - [ -0.0000100600000000, -0.0000142600000000, -0.0003419200000000 ] - [ -0.0000192100000000, 0.0000276500000000, -0.0003115100000000 ] - [ -0.0000509100000000, 0.0000118700000000, -0.0003165700000000 ] - [ 0.0000215000000000, 0.0000059400000000, -0.0003058400000000 ] - [ 0.0000212100000000, -0.0002401400000000, -0.0001408800000000 ] - [ 0.0000017600000000, 0.0002277700000000, 0.0000406800000000 ] - [ -0.0005001000000000, -0.0000064000000000, -0.0000443300000000 ] - [ 0.0004172500000000, -0.0000172500000000, -0.0000303200000000 ] - [ -0.0000077300000000, -0.0000127800000000, 0.0004050100000000 ] - [ -0.0000203000000000, 0.0000085700000000, 0.0003900000000000 ] - [ -0.0000322700000000, 0.0000217300000000, 0.0003854400000000 ] - [ 0.0000044500000000, 0.0000143800000000, 0.0003909600000000 ] - [ 0.0000177600000000, 0.0000034600000000, -0.0007929300000000 ] - [ 0.0000123900000000, 0.0000096900000000, -0.0007775100000000 ] - [ 0.0000104800000000, -0.0000205500000000, -0.0008074000000000 ] - [ 0.0000207600000000, -0.0000248800000000, -0.0008129100000000 ] - [ -0.0000021800000000, -0.0000221500000000, -0.0006059100000000 ] - [ 0.0000327500000000, -0.0000005600000000, -0.0005933000000000 ] - [ -0.0000035400000000, -0.0000162900000000, -0.0005841100000000 ] - [ 0.0000342100000000, 0.0000034700000000, -0.0006146900000000 ] - [ 0.0000390700000000, 0.0000152800000000, -0.0000867000000000 ] - [ -0.0000086000000000, 0.0000230900000000, -0.0000551500000000 ] - [ 0.0000090200000000, -0.0000228900000000, -0.0000762200000000 ] - [ 0.0000232800000000, -0.0000498500000000, -0.0000738000000000 ] - [ -0.0000349500000000, 0.0000064000000000, 0.0002484400000000 ] - [ 0.0000048000000000, 0.0000012600000000, 0.0002623500000000 ] - [ -0.0000112900000000, 0.0000006800000000, 0.0002582700000000 ] - [ -0.0000198000000000, 0.0000235600000000, 0.0002372100000000 ] - [ -0.0002595100000000, 0.0000942000000000, 0.0013883400000000 ] - [ -0.0002935100000000, -0.0000737900000000, -0.0015670100000000 ] - [ -0.0001308000000000, -0.0000139900000000, -0.0000786500000000 ] - [ 0.0005735900000000, -0.0000357300000000, -0.0000773100000000 ] - [ 0.0000302700000000, -0.0000094300000000, -0.0005381900000000 ] - [ 0.0000014300000000, -0.0000393500000000, -0.0005359900000000 ] - [ 0.0000414100000000, 0.0000138100000000, -0.0005442000000000 ] - [ -0.0000107900000000, -0.0000022000000000, -0.0005250500000000 ] - [ -0.0000138000000000, 0.0000100400000000, 0.0001098200000000 ] - [ 0.0000252000000000, 0.0000173600000000, 0.0000951200000000 ] - [ 0.0000001900000000, -0.0000323700000000, 0.0000855300000000 ] - [ 0.0000103600000000, -0.0000105800000000, 0.0001008600000000 ] - [ -0.0000200800000000, -0.0000300600000000, -0.0002804400000000 ] - [ 0.0000061200000000, -0.0000155000000000, -0.0003163900000000 ] - [ -0.0000172600000000, 0.0000203200000000, -0.0003122100000000 ] - [ 0.0000070500000000, 0.0000378800000000, -0.0003119500000000 ] - [ 0.0002490000000000, -0.0001397200000000, 0.0010864600000000 ] - [ 0.0002877300000000, 0.0001486700000000, -0.0003448500000000 ] - [ 0.0000180300000000, -0.0000115700000000, 0.0003601300000000 ] - [ -0.0001116600000000, 0.0000108500000000, 0.0003783700000000 ] - [ 0.0000161900000000, 0.0000015200000000, -0.0001184200000000 ] - [ -0.0000038600000000, -0.0000065100000000, -0.0001208100000000 ] - [ 0.0000143300000000, 0.0000016500000000, -0.0001199400000000 ] - [ -0.0000020600000000, -0.0000107000000000, -0.0001177400000000 ] - [ 0.0029677600000000, -0.0000138600000000, 0.0009210500000000 ] - [ -0.0011895600000000, -0.0000137100000000, 0.0007739300000000 ] - [ 0.0000140300000000, 0.0007233200000000, 0.0014702100000000 ] - [ 0.0000230800000000, -0.0006740500000000, 0.0000819600000000 ] - [ -0.0000085900000000, -0.0000250800000000, 0.0001873300000000 ] - [ -0.0000025200000000, 0.0000135700000000, 0.0002054300000000 ] - [ -0.0000390700000000, 0.0000090700000000, 0.0002052800000000 ] - [ 0.0000272700000000, 0.0000115500000000, 0.0001782900000000 ] - [ 0.0000168100000000, 0.0000346300000000, -0.0000289100000000 ] - [ -0.0000078100000000, -0.0000454700000000, -0.0001786000000000 ] - [ 0.0001172900000000, 0.0000049900000000, -0.0000915500000000 ] - [ -0.0000644700000000, -0.0000077100000000, -0.0000993900000000 ] - [ 0.0000102500000000, 0.0000009400000000, 0.0001830800000000 ] - [ 0.0000009700000000, -0.0000123600000000, 0.0001766600000000 ] - [ 0.0000185100000000, 0.0000006000000000, 0.0001491900000000 ] - [ -0.0000067000000000, -0.0000042700000000, 0.0001917100000000 ] - [ -0.0000043700000000, -0.0000018700000000, -0.0001548900000000 ] - [ 0.0000167300000000, -0.0000106600000000, -0.0001365700000000 ] - [ 0.0000140300000000, -0.0000069900000000, -0.0001336900000000 ] - [ -0.0000008900000000, 0.0000048300000000, -0.0001420200000000 ] - [ -0.0000142200000000, 0.0000200400000000, -0.0007814600000000 ] - [ 0.0000266800000000, -0.0000165500000000, -0.0007773400000000 ] - [ 0.0000368700000000, -0.0000216800000000, -0.0007789000000000 ] - [ -0.0000252800000000, 0.0000038400000000, -0.0007532500000000 ] - [ 0.0000093200000000, -0.0000223000000000, -0.0006440000000000 ] - [ -0.0000229500000000, 0.0000046100000000, -0.0006693200000000 ] - [ -0.0000270600000000, 0.0000251700000000, -0.0006291800000000 ] - [ 0.0000171600000000, 0.0000059600000000, -0.0006418900000000 ] - [ 0.0292244100000000, 0.0159137700000000, -0.0109001400000000 ] - [ 0.0304637800000000, -0.0167802900000000, 0.0119122000000000 ] - [ -0.0004618200000000, 0.0000034700000000, 0.0002139700000000 ] - [ 0.0015377500000000, -0.0001377700000000, 0.0001686100000000 ] - [ 0.0000324800000000, -0.0000457100000000, 0.0005763400000000 ] - [ -0.0000202600000000, -0.0000067600000000, 0.0005189900000000 ] - [ -0.0000282100000000, 0.0000325800000000, 0.0005338600000000 ] - [ 0.0000358800000000, 0.0000034700000000, 0.0005342900000000 ] - [ 0.0000090700000000, 0.0000052500000000, 0.0000335600000000 ] - [ 0.0000059500000000, -0.0000119600000000, 0.0000606600000000 ] - [ 0.0000217900000000, -0.0000025500000000, 0.0000578100000000 ] - [ -0.0000101600000000, -0.0000056100000000, 0.0000769300000000 ] - [ 0.0000015300000000, 0.0004243500000000, 0.0013180400000000 ] - [ -0.0000241400000000, -0.0004000700000000, -0.0005225300000000 ] - [ 0.0007030100000000, 0.0000023300000000, 0.0003918800000000 ] - [ -0.0015668500000000, -0.0000145300000000, 0.0004208100000000 ] - [ -0.0000216700000000, 0.0000032200000000, -0.0001461000000000 ] - [ 0.0000097100000000, -0.0000129200000000, -0.0001693900000000 ] - [ 0.0000083800000000, 0.0000018500000000, -0.0001558100000000 ] - [ -0.0000195900000000, 0.0000210200000000, -0.0001338400000000 ] - [ 0.0000468600000000, -0.0000110800000000, 0.0003523300000000 ] - [ -0.0000587800000000, -0.0000169000000000, 0.0003592400000000 ] - [ -0.0000313600000000, 0.0000343000000000, 0.0007813600000000 ] - [ -0.0000416700000000, 0.0000059900000000, -0.0000992400000000 ] - [ -0.0000073600000000, 0.0000006800000000, -0.0001105700000000 ] - [ 0.0000188500000000, -0.0000300800000000, -0.0001440700000000 ] - [ 0.0000324200000000, 0.0000008500000000, -0.0001016700000000 ] - [ -0.0000217300000000, 0.0000142600000000, -0.0001157100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000006000000000, -0.0000003400000000, 0.0000005400000000 ] - [ 0.0000006000000000, -0.0000003400000000, 0.0000005400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000004000000000 ] - [ 0.0000000000000000, 0.0000006900000000, 0.0000005400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007516200000000 ] - [ 0.0000000000000000, 0.0000187800000000, 0.0007559400000000 ] - [ -0.0000162600000000, -0.0000093900000000, 0.0007559400000000 ] - [ 0.0000162600000000, -0.0000093900000000, 0.0007559400000000 ] - [ -0.0014864300000000, -0.0008581900000000, 0.0014399600000000 ] - [ 0.0014864300000000, -0.0008581900000000, 0.0014399600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008221900000000 ] - [ 0.0000000000000000, 0.0017163800000000, 0.0014399600000000 ] - [ 0.0000746800000000, -0.0000431100000000, 0.0010007700000000 ] - [ -0.0000746800000000, -0.0000431100000000, 0.0010007700000000 ] - [ 0.0000000000000000, 0.0000862300000000, 0.0010007700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006405200000000 ] - [ -0.0000006600000000, 0.0000003800000000, 0.0008251300000000 ] - [ 0.0000006600000000, 0.0000003800000000, 0.0008251300000000 ] - [ 0.0000000000000000, -0.0000007600000000, 0.0008251300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008247600000000 ] - [ -0.0001766200000000, 0.0001019700000000, 0.0006425300000000 ] - [ 0.0001766200000000, 0.0001019700000000, 0.0006425300000000 ] - [ 0.0000000000000000, -0.0002039400000000, 0.0006425300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005448100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002471400000000 ] - [ 0.0000000000000000, -0.0000001400000000, 0.0002525000000000 ] - [ 0.0000001200000000, 0.0000000700000000, 0.0002525000000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0002525000000000 ] - [ -0.0000009000000000, -0.0000005200000000, 0.0002376800000000 ] - [ 0.0000009000000000, -0.0000005200000000, 0.0002376800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002377100000000 ] - [ 0.0000000000000000, 0.0000010400000000, 0.0002376800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0739191400000000 ] - [ 0.0000000000000000, 0.0036764000000000, -0.0057948200000000 ] - [ -0.0031838500000000, -0.0018382000000000, -0.0057948200000000 ] - [ 0.0031838500000000, -0.0018382000000000, -0.0057948200000000 ] - [ -0.0000001500000000, 0.0000000900000000, 0.0000827100000000 ] - [ 0.0000001500000000, 0.0000000900000000, 0.0000827100000000 ] - [ 0.0000000000000000, -0.0000001700000000, 0.0000827100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000907300000000 ] - [ 0.0004947600000000, 0.0002856500000000, 0.0005403400000000 ] - [ -0.0004947600000000, 0.0002856500000000, 0.0005403400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001899600000000 ] - [ 0.0000000000000000, -0.0005713000000000, 0.0005403400000000 ] - [ 0.0000054900000000, 0.0000031700000000, 0.0008764100000000 ] - [ -0.0000054900000000, 0.0000031700000000, 0.0008764100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008754000000000 ] - [ 0.0000000000000000, -0.0000063400000000, 0.0008764100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002985500000000 ] - [ 0.0000000000000000, -0.0000015300000000, -0.0003055100000000 ] - [ 0.0000013200000000, 0.0000007600000000, -0.0003055100000000 ] - [ -0.0000013200000000, 0.0000007600000000, -0.0003055100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992900000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0001007700000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0001007700000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0001007700000000 ] - [ -0.0000003800000000, 0.0000002200000000, 0.0001445900000000 ] - [ 0.0000003800000000, 0.0000002200000000, 0.0001445900000000 ] - [ 0.0000000000000000, -0.0000004400000000, 0.0001445900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001450300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004823400000000 ] - [ 0.0000000000000000, 0.0000143500000000, 0.0004858200000000 ] - [ -0.0000124300000000, -0.0000071700000000, 0.0004858200000000 ] - [ 0.0000124300000000, -0.0000071700000000, 0.0004858200000000 ] - [ 0.0061730100000000, -0.0035639900000000, 0.0013096400000000 ] - [ -0.0061730100000000, -0.0035639900000000, 0.0013096400000000 ] - [ 0.0000000000000000, 0.0071279700000000, 0.0013096400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009391900000000 ] - [ 0.0000001700000000, 0.0000001000000000, -0.0000946000000000 ] - [ -0.0000001700000000, 0.0000001000000000, -0.0000946000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000945200000000 ] - [ 0.0000000000000000, -0.0000002000000000, -0.0000946000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004024900000000 ] - [ 0.0000000000000000, -0.0000049800000000, -0.0003774200000000 ] - [ 0.0000043100000000, 0.0000024900000000, -0.0003774200000000 ] - [ -0.0000043100000000, 0.0000024900000000, -0.0003774200000000 ] - [ -0.0000009900000000, 0.0000005700000000, -0.0007843200000000 ] - [ 0.0000009900000000, 0.0000005700000000, -0.0007843200000000 ] - [ 0.0000000000000000, -0.0000011400000000, -0.0007843200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007835300000000 ] - [ -0.0010643500000000, 0.0006145000000000, -0.0004153700000000 ] - [ 0.0010643500000000, 0.0006145000000000, -0.0004153700000000 ] - [ 0.0000000000000000, -0.0012290100000000, -0.0004153700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009329600000000 ] - [ -0.0000030200000000, -0.0000017400000000, -0.0004240700000000 ] - [ 0.0000030200000000, -0.0000017400000000, -0.0004240700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004217800000000 ] - [ 0.0000000000000000, 0.0000034900000000, -0.0004240700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0465484400000000 ] - [ 0.0000000000000000, -0.0000887700000000, 0.0034274600000000 ] - [ 0.0000768800000000, 0.0000443800000000, 0.0034274600000000 ] - [ -0.0000768800000000, 0.0000443800000000, 0.0034274600000000 ] - [ -0.0000025900000000, -0.0000015000000000, -0.0002956100000000 ] - [ 0.0000025900000000, -0.0000015000000000, -0.0002956100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002956500000000 ] - [ 0.0000000000000000, 0.0000029900000000, -0.0002956100000000 ] - [ -0.0000453500000000, -0.0000261800000000, -0.0004490200000000 ] - [ 0.0000453500000000, -0.0000261800000000, -0.0004490200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010078100000000 ] - [ 0.0000000000000000, 0.0000523700000000, -0.0004490200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001924100000000 ] - [ 0.0000000000000000, 0.0000006200000000, -0.0001921100000000 ] - [ -0.0000005400000000, -0.0000003100000000, -0.0001921100000000 ] - [ 0.0000005400000000, -0.0000003100000000, -0.0001921100000000 ] - [ 0.0000004400000000, -0.0000002600000000, -0.0006151400000000 ] - [ -0.0000004400000000, -0.0000002600000000, -0.0006151400000000 ] - [ 0.0000000000000000, 0.0000005100000000, -0.0006151400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006107800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012235300000000 ] - [ 0.0000000000000000, 0.0000007800000000, -0.0012175500000000 ] - [ -0.0000006800000000, -0.0000003900000000, -0.0012175500000000 ] - [ 0.0000006800000000, -0.0000003900000000, -0.0012175500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008645500000000 ] - [ 0.0000000000000000, 0.0000003000000000, -0.0008690600000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0008690600000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0008690600000000 ] - [ -0.0127684600000000, -0.0073718800000000, 0.0100772700000000 ] - [ 0.0127684600000000, -0.0073718800000000, 0.0100772700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026475200000000 ] - [ 0.0000000000000000, 0.0147437500000000, 0.0100772700000000 ] - [ -0.0000006900000000, 0.0000004000000000, 0.0000902500000000 ] - [ 0.0000006900000000, 0.0000004000000000, 0.0000902500000000 ] - [ 0.0000000000000000, -0.0000008000000000, 0.0000902500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000654300000000 ] - [ 0.0000345700000000, -0.0000199600000000, -0.0002041600000000 ] - [ -0.0000345700000000, -0.0000199600000000, -0.0002041600000000 ] - [ 0.0000000000000000, 0.0000399100000000, -0.0002041600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001707500000000 ] - [ 0.0002239200000000, -0.0001292800000000, 0.0002181000000000 ] - [ -0.0002239200000000, -0.0001292800000000, 0.0002181000000000 ] - [ 0.0000000000000000, 0.0002585600000000, 0.0002181000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011327300000000 ] - [ 0.0000035400000000, 0.0000020400000000, -0.0005888600000000 ] - [ -0.0000035400000000, 0.0000020400000000, -0.0005888600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005886600000000 ] - [ 0.0000000000000000, -0.0000040800000000, -0.0005888600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001085400000000 ] - [ 0.0000000000000000, 0.0000564900000000, -0.0001602000000000 ] - [ -0.0000489200000000, -0.0000282500000000, -0.0001602000000000 ] - [ 0.0000489200000000, -0.0000282500000000, -0.0001602000000000 ] - [ -0.0000002300000000, -0.0000001300000000, -0.0005181300000000 ] - [ 0.0000002300000000, -0.0000001300000000, -0.0005181300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005161700000000 ] - [ 0.0000000000000000, 0.0000002600000000, -0.0005181300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000005500000000, 0.0000003200000000, -0.0008230100000000 ] - [ -0.0000005500000000, 0.0000003200000000, -0.0008230100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008221000000000 ] - [ 0.0000000000000000, -0.0000006300000000, -0.0008230100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000742100000000 ] - [ 0.0000000000000000, -0.0000175300000000, -0.0000806500000000 ] - [ 0.0000151800000000, 0.0000087700000000, -0.0000806500000000 ] - [ -0.0000151800000000, 0.0000087700000000, -0.0000806500000000 ] - [ 0.0014642900000000, 0.0008454100000000, -0.0013984400000000 ] - [ -0.0014642900000000, 0.0008454100000000, -0.0013984400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008473500000000 ] - [ 0.0000000000000000, -0.0016908100000000, -0.0013984400000000 ] - [ -0.0000755300000000, 0.0000436100000000, -0.0000890900000000 ] - [ 0.0000755300000000, 0.0000436100000000, -0.0000890900000000 ] - [ 0.0000000000000000, -0.0000872200000000, -0.0000890900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002664200000000 ] - [ -0.0000003100000000, 0.0000001800000000, -0.0000098600000000 ] - [ 0.0000003100000000, 0.0000001800000000, -0.0000098600000000 ] - [ 0.0000000000000000, -0.0000003600000000, -0.0000098600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000094200000000 ] - [ 0.0001748900000000, -0.0001009700000000, -0.0002543500000000 ] - [ -0.0001748900000000, -0.0001009700000000, -0.0002543500000000 ] - [ 0.0000000000000000, 0.0002019400000000, -0.0002543500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001577600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005764900000000 ] - [ 0.0000000000000000, -0.0000002300000000, -0.0005766700000000 ] - [ 0.0000002000000000, 0.0000001100000000, -0.0005766700000000 ] - [ -0.0000002000000000, 0.0000001100000000, -0.0005766700000000 ] - [ -0.0000002000000000, -0.0000001200000000, -0.0006063300000000 ] - [ 0.0000002000000000, -0.0000001200000000, -0.0006063300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006059300000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0006063300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0778241100000000 ] - [ 0.0000000000000000, -0.0036625200000000, 0.0065159900000000 ] - [ 0.0031718400000000, 0.0018312600000000, 0.0065159900000000 ] - [ -0.0031718400000000, 0.0018312600000000, 0.0065159900000000 ] - [ -0.0000003600000000, 0.0000002100000000, -0.0007417200000000 ] - [ 0.0000003600000000, 0.0000002100000000, -0.0007417200000000 ] - [ 0.0000000000000000, -0.0000004200000000, -0.0007417200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007497600000000 ] - [ -0.0004926900000000, -0.0002844500000000, -0.0005222300000000 ] - [ 0.0004926900000000, -0.0002844500000000, -0.0005222300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001752400000000 ] - [ 0.0000000000000000, 0.0005689100000000, -0.0005222300000000 ] - [ -0.0000054000000000, -0.0000031200000000, 0.0000472200000000 ] - [ 0.0000054000000000, -0.0000031200000000, 0.0000472200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000482300000000 ] - [ 0.0000000000000000, 0.0000062300000000, 0.0000472200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011535500000000 ] - [ 0.0000000000000000, 0.0000016300000000, -0.0011503800000000 ] - [ -0.0000014100000000, -0.0000008100000000, -0.0011503800000000 ] - [ 0.0000014100000000, -0.0000008100000000, -0.0011503800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009251000000000 ] - [ 0.0000000000000000, -0.0000002900000000, -0.0009249700000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0009249700000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0009249700000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0006889100000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0006889100000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0006889100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006894300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003519800000000 ] - [ 0.0000000000000000, -0.0000146500000000, -0.0003560500000000 ] - [ 0.0000126800000000, 0.0000073200000000, -0.0003560500000000 ] - [ -0.0000126800000000, 0.0000073200000000, -0.0003560500000000 ] - [ -0.0061760800000000, 0.0035657600000000, -0.0015112000000000 ] - [ 0.0061760800000000, 0.0035657600000000, -0.0015112000000000 ] - [ 0.0000000000000000, -0.0071315200000000, -0.0015112000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007602500000000 ] - [ -0.0000008600000000, -0.0000005000000000, -0.0009165000000000 ] - [ 0.0000008600000000, -0.0000005000000000, -0.0009165000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009165000000000 ] - [ 0.0000000000000000, 0.0000009900000000, -0.0009165000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004547800000000 ] - [ 0.0000000000000000, -0.0000019700000000, 0.0004406800000000 ] - [ 0.0000017100000000, 0.0000009900000000, 0.0004406800000000 ] - [ -0.0000017100000000, 0.0000009900000000, 0.0004406800000000 ] - [ -0.0000025400000000, 0.0000014700000000, 0.0000301000000000 ] - [ 0.0000025400000000, 0.0000014700000000, 0.0000301000000000 ] - [ 0.0000000000000000, -0.0000029300000000, 0.0000301000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000328000000000 ] - [ 0.0010596400000000, -0.0006117800000000, 0.0010618900000000 ] - [ -0.0010596400000000, -0.0006117800000000, 0.0010618900000000 ] - [ 0.0000000000000000, 0.0012235600000000, 0.0010618900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002752200000000 ] - [ -0.0000055700000000, -0.0000032200000000, 0.0004038800000000 ] - [ 0.0000055700000000, -0.0000032200000000, 0.0004038800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004080500000000 ] - [ 0.0000000000000000, 0.0000064300000000, 0.0004038800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0475879500000000 ] - [ 0.0000000000000000, 0.0000813800000000, -0.0018548000000000 ] - [ -0.0000704800000000, -0.0000406900000000, -0.0018548000000000 ] - [ 0.0000704800000000, -0.0000406900000000, -0.0018548000000000 ] - [ -0.0000050500000000, -0.0000029200000000, 0.0005265600000000 ] - [ 0.0000050500000000, -0.0000029200000000, 0.0005265600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005277100000000 ] - [ 0.0000000000000000, 0.0000058300000000, 0.0005265600000000 ] - [ 0.0000433300000000, 0.0000250200000000, 0.0001128100000000 ] - [ -0.0000433300000000, 0.0000250200000000, 0.0001128100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006689700000000 ] - [ 0.0000000000000000, -0.0000500400000000, 0.0001128100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006251900000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0006251200000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0006251200000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0006251200000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0002012800000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0002012800000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0002012800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002077200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003897400000000 ] - [ 0.0000000000000000, 0.0000021200000000, -0.0003863500000000 ] - [ -0.0000018300000000, -0.0000010600000000, -0.0003863500000000 ] - [ 0.0000018300000000, -0.0000010600000000, -0.0003863500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000355300000000 ] - [ 0.0000000000000000, -0.0000020600000000, -0.0000445700000000 ] - [ 0.0000017900000000, 0.0000010300000000, -0.0000445700000000 ] - [ -0.0000017900000000, 0.0000010300000000, -0.0000445700000000 ] - [ 0.0127026800000000, 0.0073339000000000, -0.0098757800000000 ] - [ -0.0127026800000000, 0.0073339000000000, -0.0098757800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023550200000000 ] - [ 0.0000000000000000, -0.0146677900000000, -0.0098757800000000 ] - [ -0.0000065500000000, 0.0000037800000000, 0.0009040700000000 ] - [ 0.0000065500000000, 0.0000037800000000, 0.0009040700000000 ] - [ 0.0000000000000000, -0.0000075600000000, 0.0009040700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009248900000000 ] - [ -0.0000411900000000, 0.0000237800000000, 0.0006338700000000 ] - [ 0.0000411900000000, 0.0000237800000000, 0.0006338700000000 ] - [ 0.0000000000000000, -0.0000475700000000, 0.0006338700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006010800000000 ] - [ -0.0002245800000000, 0.0001296600000000, 0.0008730800000000 ] - [ 0.0002245800000000, 0.0001296600000000, 0.0008730800000000 ] - [ 0.0000000000000000, -0.0002593200000000, 0.0008730800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000437700000000 ] - [ 0.0000076300000000, 0.0000044000000000, 0.0002459100000000 ] - [ -0.0000076300000000, 0.0000044000000000, 0.0002459100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002423000000000 ] - [ 0.0000000000000000, -0.0000088100000000, 0.0002459100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006597900000000 ] - [ 0.0000000000000000, -0.0000416000000000, 0.0007274400000000 ] - [ 0.0000360300000000, 0.0000208000000000, 0.0007274400000000 ] - [ -0.0000360300000000, 0.0000208000000000, 0.0007274400000000 ] - [ 0.0000007200000000, 0.0000004200000000, 0.0002956900000000 ] - [ -0.0000007200000000, 0.0000004200000000, 0.0002956900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002938700000000 ] - [ 0.0000000000000000, -0.0000008400000000, 0.0002956900000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001596700000000, 0.0000083400000000, -0.0004127200000000 ] - [ 0.0005400000000000, 0.0000115900000000, -0.0004045200000000 ] - [ -0.0003152000000000, 0.0000940200000000, -0.0065812600000000 ] - [ -0.0003013100000000, -0.0000776100000000, 0.0057679900000000 ] - [ -0.0003094700000000, 0.0000939200000000, -0.0011182200000000 ] - [ -0.0003035800000000, -0.0000821700000000, 0.0017855100000000 ] - [ -0.0001541400000000, 0.0000050300000000, 0.0003395700000000 ] - [ 0.0005382600000000, 0.0000110200000000, 0.0003377700000000 ] - [ 0.0000640500000000, -0.0000089800000000, 0.0000239600000000 ] - [ -0.0000325600000000, -0.0000089700000000, 0.0000238800000000 ] - [ 0.0000123700000000, 0.0000210700000000, 0.0000113700000000 ] - [ 0.0000125800000000, -0.0000384800000000, 0.0000366500000000 ] - [ 0.0004247200000000, -0.0000069100000000, 0.0004518300000000 ] - [ -0.0004009600000000, -0.0000080800000000, 0.0004502400000000 ] - [ 0.0000498800000000, 0.0002510200000000, 0.0005061600000000 ] - [ 0.0000484700000000, -0.0002688100000000, 0.0003952500000000 ] - [ 0.0000266600000000, 0.0000087500000000, 0.0004160000000000 ] - [ -0.0000570500000000, 0.0000100400000000, 0.0004147500000000 ] - [ -0.0000208000000000, 0.0000303500000000, 0.0005786800000000 ] - [ -0.0000192000000000, -0.0000124300000000, 0.0002503500000000 ] - [ -0.0000162300000000, 0.0000097800000000, 0.0001933100000000 ] - [ -0.0000142600000000, 0.0000105000000000, 0.0001930100000000 ] - [ -0.0000158300000000, 0.0000095300000000, 0.0001917600000000 ] - [ -0.0000145900000000, 0.0000107200000000, 0.0001931000000000 ] - [ -0.0000192600000000, 0.0002354300000000, 0.0003331200000000 ] - [ -0.0000198000000000, -0.0002167200000000, -0.0006591100000000 ] - [ 0.0003722000000000, 0.0000099800000000, -0.0001616400000000 ] - [ -0.0005176100000000, 0.0000100700000000, -0.0001659000000000 ] - [ -0.0000013500000000, 0.0000086900000000, -0.0001859900000000 ] - [ -0.0000315000000000, 0.0000105400000000, -0.0001849100000000 ] - [ -0.0000178300000000, 0.0000187300000000, -0.0001611700000000 ] - [ -0.0000141800000000, 0.0000019000000000, -0.0002098200000000 ] - [ 0.0000161800000000, -0.0000163100000000, 0.0003567700000000 ] - [ 0.0000153800000000, 0.0000000800000000, 0.0003575000000000 ] - [ 0.0000015800000000, -0.0000086500000000, 0.0003571800000000 ] - [ 0.0000293200000000, -0.0000091300000000, 0.0003570100000000 ] - [ -0.0717487900000000, -0.0010383700000000, -0.0010082100000000 ] - [ 0.0113367000000000, 0.0000475900000000, -0.0003270300000000 ] - [ -0.0006167400000000, -0.0068885000000000, 0.0028494800000000 ] - [ -0.0005984500000000, 0.0068853600000000, -0.0035169400000000 ] - [ 0.0000149000000000, -0.0000086500000000, 0.0000095900000000 ] - [ 0.0000153300000000, -0.0000081600000000, 0.0000097800000000 ] - [ 0.0000146400000000, -0.0000081700000000, 0.0000096000000000 ] - [ 0.0000152700000000, -0.0000082900000000, 0.0000100700000000 ] - [ -0.0000144100000000, 0.0000079000000000, 0.0004623100000000 ] - [ -0.0000145400000000, 0.0000087600000000, 0.0004616000000000 ] - [ -0.0000148900000000, 0.0000085000000000, 0.0004619500000000 ] - [ -0.0000134400000000, 0.0000088600000000, 0.0004611300000000 ] - [ 0.0000150300000000, -0.0000067900000000, -0.0007283500000000 ] - [ 0.0000142700000000, -0.0000073900000000, -0.0007293100000000 ] - [ 0.0000150700000000, -0.0000084300000000, -0.0007292000000000 ] - [ 0.0000143000000000, -0.0000087400000000, -0.0007288600000000 ] - [ 0.0000150400000000, -0.0000092800000000, -0.0005206300000000 ] - [ 0.0000156800000000, -0.0000072500000000, -0.0005072400000000 ] - [ 0.0000136100000000, -0.0000089300000000, -0.0005132100000000 ] - [ 0.0000167500000000, -0.0000085200000000, -0.0005146200000000 ] - [ 0.0000155600000000, -0.0000083100000000, -0.0002661800000000 ] - [ 0.0000144900000000, -0.0000087200000000, -0.0002657600000000 ] - [ 0.0000157300000000, -0.0000079900000000, -0.0002657800000000 ] - [ 0.0000146300000000, -0.0000089400000000, -0.0002667600000000 ] - [ -0.0000154400000000, 0.0000075800000000, 0.0000680200000000 ] - [ -0.0000155400000000, 0.0000079700000000, 0.0000683100000000 ] - [ -0.0000158200000000, 0.0000098900000000, 0.0000682400000000 ] - [ -0.0000150200000000, 0.0000098500000000, 0.0000685100000000 ] - [ 0.0000130000000000, -0.0000084500000000, -0.0000873000000000 ] - [ 0.0000181200000000, -0.0000084600000000, -0.0000867900000000 ] - [ 0.0000159100000000, -0.0000106600000000, -0.0000873400000000 ] - [ 0.0000158600000000, -0.0000080800000000, -0.0000872700000000 ] - [ 0.0000148000000000, -0.0000083800000000, -0.0005081700000000 ] - [ 0.0000157200000000, -0.0000097300000000, -0.0005084900000000 ] - [ 0.0000162600000000, -0.0000089600000000, -0.0005087200000000 ] - [ 0.0000138800000000, -0.0000085800000000, -0.0005083600000000 ] - [ 0.0000024300000000, -0.0000027200000000, 0.0000367500000000 ] - [ 0.0000075100000000, -0.0000013600000000, 0.0000353000000000 ] - [ 0.0000036500000000, -0.0000063200000000, 0.0000361300000000 ] - [ 0.0000058500000000, -0.0000033900000000, 0.0000331100000000 ] - [ -0.0000069300000000, 0.0000013700000000, -0.0003678700000000 ] - [ -0.0000046900000000, 0.0000025700000000, -0.0003669400000000 ] - [ -0.0000071800000000, 0.0000040200000000, -0.0003673700000000 ] - [ -0.0000049800000000, 0.0000057900000000, -0.0003693400000000 ] - [ -0.0000061400000000, 0.0000036300000000, 0.0003303900000000 ] - [ -0.0000056200000000, 0.0000027400000000, 0.0003290200000000 ] - [ -0.0000049800000000, 0.0000027500000000, 0.0003305000000000 ] - [ -0.0000067800000000, 0.0000029200000000, 0.0003306500000000 ] - [ 0.0000329300000000, 0.0000016000000000, -0.0000298000000000 ] - [ -0.0000283500000000, -0.0000045000000000, -0.0000264000000000 ] - [ 0.0000107800000000, 0.0000112500000000, -0.0000875500000000 ] - [ -0.0000002600000000, -0.0000206900000000, 0.0000299800000000 ] - [ -0.0000077000000000, 0.0000042900000000, 0.0007934300000000 ] - [ -0.0000054700000000, -0.0000000300000000, 0.0007821500000000 ] - [ -0.0000028500000000, 0.0000046000000000, 0.0007863500000000 ] - [ -0.0000097500000000, 0.0000058200000000, 0.0007854300000000 ] - [ -0.0000074300000000, 0.0000019400000000, 0.0001294600000000 ] - [ -0.0000046800000000, 0.0000028100000000, 0.0001302500000000 ] - [ -0.0000067000000000, 0.0000026900000000, 0.0001292800000000 ] - [ -0.0000052700000000, 0.0000042600000000, 0.0001270200000000 ] - [ 0.0000070500000000, -0.0000032800000000, -0.0001517100000000 ] - [ 0.0000035200000000, -0.0000039600000000, -0.0001517200000000 ] - [ 0.0000058000000000, -0.0000019600000000, -0.0001515900000000 ] - [ 0.0000047300000000, -0.0000038600000000, -0.0001516000000000 ] - [ 0.0000004200000000, 0.0004004400000000, -0.0007152600000000 ] - [ -0.0000016700000000, -0.0004076400000000, 0.0011390900000000 ] - [ 0.0006991600000000, -0.0000022200000000, 0.0002083200000000 ] - [ -0.0015426000000000, -0.0000018500000000, 0.0002200700000000 ] - [ 0.0000407300000000, -0.0000029300000000, -0.0002018500000000 ] - [ -0.0000280900000000, -0.0000034100000000, -0.0002055800000000 ] - [ -0.0000235800000000, -0.0000016900000000, -0.0006556900000000 ] - [ -0.0000247900000000, -0.0000060600000000, 0.0002469600000000 ] - [ 0.0000049600000000, -0.0000044900000000, -0.0007803300000000 ] - [ 0.0000046100000000, -0.0000020100000000, -0.0008128600000000 ] - [ 0.0000025000000000, -0.0000032500000000, -0.0007965000000000 ] - [ 0.0000080100000000, -0.0000030700000000, -0.0007949600000000 ] - [ -0.0000046800000000, 0.0000011600000000, -0.0004798500000000 ] - [ -0.0000077300000000, 0.0000063800000000, -0.0004766500000000 ] - [ -0.0000107900000000, 0.0000044100000000, -0.0004761900000000 ] - [ -0.0000017300000000, 0.0000028000000000, -0.0004784200000000 ] - [ -0.0000102500000000, 0.0000056900000000, 0.0001472300000000 ] - [ -0.0000032100000000, 0.0000036500000000, 0.0001452000000000 ] - [ -0.0000032000000000, -0.0000011500000000, 0.0001262600000000 ] - [ -0.0000067500000000, 0.0000049700000000, 0.0001721800000000 ] - [ 0.0029293800000000, -0.0000087700000000, 0.0006429600000000 ] - [ -0.0011792300000000, -0.0000049000000000, 0.0005040700000000 ] - [ 0.0000305600000000, 0.0006935500000000, -0.0002057300000000 ] - [ 0.0000277600000000, -0.0007018900000000, 0.0012146100000000 ] - [ 0.0000063200000000, -0.0000021000000000, 0.0001957800000000 ] - [ 0.0000055900000000, -0.0000048100000000, 0.0001974500000000 ] - [ 0.0000082500000000, -0.0000026300000000, 0.0001978900000000 ] - [ 0.0000035500000000, -0.0000030600000000, 0.0001970200000000 ] - [ -0.0000681000000000, 0.0000043900000000, 0.0005237000000000 ] - [ 0.0000825000000000, 0.0000066600000000, 0.0005252600000000 ] - [ -0.0000158600000000, -0.0000544100000000, 0.0004555600000000 ] - [ -0.0000116600000000, 0.0000568500000000, 0.0005949900000000 ] - [ -0.0000076300000000, 0.0000032600000000, -0.0001614400000000 ] - [ -0.0000046900000000, 0.0000018600000000, -0.0001648100000000 ] - [ -0.0000049500000000, 0.0000032000000000, -0.0001627400000000 ] - [ -0.0000073900000000, 0.0000049300000000, -0.0001621800000000 ] - [ 0.0002148200000000, -0.0001666200000000, -0.0004439700000000 ] - [ 0.0002122400000000, 0.0001731000000000, 0.0010320900000000 ] - [ -0.0000806300000000, 0.0000053200000000, 0.0002912300000000 ] - [ -0.0000503100000000, 0.0000033900000000, 0.0002927400000000 ] - [ 0.0015575100000000, 0.0001327700000000, -0.0001530700000000 ] - [ -0.0004603600000000, -0.0000079500000000, -0.0001046000000000 ] - [ 0.0292544900000000, -0.0159146400000000, -0.0111884600000000 ] - [ 0.0304953100000000, 0.0167904400000000, 0.0116016200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0017145000000000, 0.0010020600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012658900000000 ] - [ -0.0014848000000000, 0.0008572500000000, 0.0010020600000000 ] - [ 0.0014848000000000, 0.0008572500000000, 0.0010020600000000 ] - [ -0.0061432200000000, 0.0035467900000000, 0.0017319400000000 ] - [ 0.0061432200000000, 0.0035467900000000, 0.0017319400000000 ] - [ 0.0000000000000000, -0.0070935800000000, 0.0017319400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005403800000000 ] - [ 0.0000000000000000, -0.0000320100000000, 0.0004144300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004983200000000 ] - [ -0.0000277200000000, 0.0000160100000000, 0.0004144300000000 ] - [ 0.0000277200000000, 0.0000160100000000, 0.0004144300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016869200000000 ] - [ 0.0000000000000000, -0.0007933200000000, 0.0006572800000000 ] - [ 0.0006870400000000, 0.0003966600000000, 0.0006572800000000 ] - [ -0.0006870400000000, 0.0003966600000000, 0.0006572800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008083700000000 ] - [ 0.0000000000000000, -0.0000160100000000, 0.0008283100000000 ] - [ 0.0000138600000000, 0.0000080000000000, 0.0008283100000000 ] - [ -0.0000138600000000, 0.0000080000000000, 0.0008283100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006179100000000 ] - [ 0.0000000000000000, 0.0000002600000000, 0.0006086700000000 ] - [ -0.0000002300000000, -0.0000001300000000, 0.0006086700000000 ] - [ 0.0000002300000000, -0.0000001300000000, 0.0006086700000000 ] - [ -0.0000748400000000, 0.0000432100000000, 0.0003686300000000 ] - [ 0.0000748400000000, 0.0000432100000000, 0.0003686300000000 ] - [ 0.0000000000000000, -0.0000864100000000, 0.0003686300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000089900000000 ] - [ 0.0000000000000000, -0.0000028800000000, 0.0002363200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002265700000000 ] - [ -0.0000025000000000, 0.0000014400000000, 0.0002363200000000 ] - [ 0.0000025000000000, 0.0000014400000000, 0.0002363200000000 ] - [ -0.0000117900000000, 0.0000068100000000, 0.0007666500000000 ] - [ 0.0000117900000000, 0.0000068100000000, 0.0007666500000000 ] - [ 0.0000000000000000, -0.0000136100000000, 0.0007666500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007738500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0737471400000000 ] - [ 0.0000000000000000, -0.0036793800000000, -0.0065081500000000 ] - [ 0.0031864300000000, 0.0018396900000000, -0.0065081500000000 ] - [ -0.0031864300000000, 0.0018396900000000, -0.0065081500000000 ] - [ 0.0000000000000000, -0.0000008600000000, 0.0004138200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004148100000000 ] - [ -0.0000007500000000, 0.0000004300000000, 0.0004138200000000 ] - [ 0.0000007500000000, 0.0000004300000000, 0.0004138200000000 ] - [ 0.0000000000000000, -0.0000006100000000, 0.0008675800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008673500000000 ] - [ -0.0000005300000000, 0.0000003000000000, 0.0008675800000000 ] - [ 0.0000005300000000, 0.0000003000000000, 0.0008675800000000 ] - [ -0.0000003100000000, 0.0000001800000000, -0.0003110800000000 ] - [ 0.0000003100000000, 0.0000001800000000, -0.0003110800000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0003110800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003108900000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0001046000000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0001046000000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0001046000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001068200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001417700000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0001425100000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0001425100000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0001425100000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0004816300000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0004816300000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0004816300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004808700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003269700000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0003217400000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0003217400000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0003217400000000 ] - [ 0.0000000000000000, 0.0000004100000000, -0.0001007400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001010800000000 ] - [ 0.0000003500000000, -0.0000002000000000, -0.0001007400000000 ] - [ -0.0000003500000000, -0.0000002000000000, -0.0001007400000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0003862900000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0003862900000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0003862900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003873800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007846600000000 ] - [ 0.0000000000000000, 0.0000020400000000, -0.0007822100000000 ] - [ -0.0000017700000000, -0.0000010200000000, -0.0007822100000000 ] - [ 0.0000017700000000, -0.0000010200000000, -0.0007822100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000852700000000 ] - [ 0.0000000000000000, 0.0000007600000000, -0.0000893400000000 ] - [ -0.0000006500000000, -0.0000003800000000, -0.0000893400000000 ] - [ 0.0000006500000000, -0.0000003800000000, -0.0000893400000000 ] - [ 0.0000000000000000, 0.0000013900000000, -0.0004554700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004309300000000 ] - [ 0.0000012000000000, -0.0000007000000000, -0.0004554700000000 ] - [ -0.0000012000000000, -0.0000007000000000, -0.0004554700000000 ] - [ 0.0000010000000000, -0.0000005800000000, 0.0003703200000000 ] - [ -0.0000010000000000, -0.0000005800000000, 0.0003703200000000 ] - [ 0.0000000000000000, 0.0000011500000000, 0.0003703200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003691000000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0002914500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002927600000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0002914500000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0002914500000000 ] - [ 0.0000000000000000, 0.0000002000000000, -0.0005740800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005744400000000 ] - [ 0.0000001800000000, -0.0000001000000000, -0.0005740800000000 ] - [ -0.0000001800000000, -0.0000001000000000, -0.0005740800000000 ] - [ -0.0002260800000000, 0.0001305300000000, -0.0001081300000000 ] - [ 0.0002260800000000, 0.0001305300000000, -0.0001081300000000 ] - [ 0.0000000000000000, -0.0002610600000000, -0.0001081300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008116100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005881500000000 ] - [ 0.0000000000000000, -0.0000495200000000, -0.0006485200000000 ] - [ 0.0000428800000000, 0.0000247600000000, -0.0006485200000000 ] - [ -0.0000428800000000, 0.0000247600000000, -0.0006485200000000 ] - [ -0.0000029900000000, 0.0000017300000000, -0.0012232300000000 ] - [ 0.0000029900000000, 0.0000017300000000, -0.0012232300000000 ] - [ 0.0000000000000000, -0.0000034600000000, -0.0012232300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012209600000000 ] - [ 0.0000009600000000, -0.0000005600000000, -0.0008958900000000 ] - [ -0.0000009600000000, -0.0000005600000000, -0.0008958900000000 ] - [ 0.0000000000000000, 0.0000011100000000, -0.0008958900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008972800000000 ] - [ 0.0000000000000000, 0.0000146500000000, -0.0002816500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002373200000000 ] - [ 0.0000126900000000, -0.0000073300000000, -0.0002816500000000 ] - [ -0.0000126900000000, -0.0000073300000000, -0.0002816500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0462500200000000 ] - [ 0.0000000000000000, 0.0000870200000000, 0.0031597200000000 ] - [ -0.0000753600000000, -0.0000435100000000, 0.0031597200000000 ] - [ 0.0000753600000000, -0.0000435100000000, 0.0031597200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002240900000000 ] - [ 0.0000000000000000, -0.0000014800000000, -0.0002238600000000 ] - [ 0.0000012800000000, 0.0000007400000000, -0.0002238600000000 ] - [ -0.0000012800000000, 0.0000007400000000, -0.0002238600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001848100000000 ] - [ 0.0000000000000000, 0.0001674300000000, 0.0000742800000000 ] - [ -0.0001450000000000, -0.0000837100000000, 0.0000742800000000 ] - [ 0.0001450000000000, -0.0000837100000000, 0.0000742800000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0005861400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005870100000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0005861400000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0005861400000000 ] - [ 0.0009130900000000, -0.0005271700000000, -0.0004829300000000 ] - [ -0.0009130900000000, -0.0005271700000000, -0.0004829300000000 ] - [ 0.0000000000000000, 0.0010543400000000, -0.0004829300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009209900000000 ] - [ 0.0000000000000000, -0.0147354200000000, 0.0098073100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023948800000000 ] - [ -0.0127612500000000, 0.0073677100000000, 0.0098073100000000 ] - [ 0.0127612500000000, 0.0073677100000000, 0.0098073100000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0016879800000000, -0.0018134700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004378800000000 ] - [ 0.0014618400000000, -0.0008439900000000, -0.0018134700000000 ] - [ -0.0014618400000000, -0.0008439900000000, -0.0018134700000000 ] - [ 0.0061453000000000, -0.0035479900000000, -0.0010875600000000 ] - [ -0.0061453000000000, -0.0035479900000000, -0.0010875600000000 ] - [ 0.0000000000000000, 0.0070959800000000, -0.0010875600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012078300000000 ] - [ 0.0000000000000000, 0.0000314000000000, -0.0003790500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004637900000000 ] - [ 0.0000271900000000, -0.0000157000000000, -0.0003790500000000 ] - [ -0.0000271900000000, -0.0000157000000000, -0.0003790500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007741100000000 ] - [ 0.0000000000000000, 0.0007888100000000, 0.0002510100000000 ] - [ -0.0006831300000000, -0.0003944000000000, 0.0002510100000000 ] - [ 0.0006831300000000, -0.0003944000000000, 0.0002510100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000127300000000 ] - [ 0.0000000000000000, 0.0000160100000000, -0.0000114800000000 ] - [ -0.0000138700000000, -0.0000080100000000, -0.0000114800000000 ] - [ 0.0000138700000000, -0.0000080100000000, -0.0000114800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002320100000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0002202800000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0002202800000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0002202800000000 ] - [ 0.0000751400000000, -0.0000433800000000, -0.0006901200000000 ] - [ -0.0000751400000000, -0.0000433800000000, -0.0006901200000000 ] - [ 0.0000000000000000, 0.0000867700000000, -0.0006901200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003357300000000 ] - [ 0.0000000000000000, 0.0000006000000000, -0.0006031200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005952500000000 ] - [ 0.0000005200000000, -0.0000003000000000, -0.0006031200000000 ] - [ -0.0000005200000000, -0.0000003000000000, -0.0006031200000000 ] - [ 0.0000132400000000, -0.0000076400000000, -0.0000455400000000 ] - [ -0.0000132400000000, -0.0000076400000000, -0.0000455400000000 ] - [ 0.0000000000000000, 0.0000152800000000, -0.0000455400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000534700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0760469700000000 ] - [ 0.0000000000000000, 0.0036663500000000, 0.0058570100000000 ] - [ -0.0031751500000000, -0.0018331700000000, 0.0058570100000000 ] - [ 0.0031751500000000, -0.0018331700000000, 0.0058570100000000 ] - [ 0.0000000000000000, 0.0000006000000000, -0.0003997500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003998400000000 ] - [ 0.0000005200000000, -0.0000003000000000, -0.0003997500000000 ] - [ -0.0000005200000000, -0.0000003000000000, -0.0003997500000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0000529700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000531000000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0000529700000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0000529700000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0011433900000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0011433900000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0011433900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011434500000000 ] - [ 0.0000004700000000, -0.0000002700000000, -0.0009199800000000 ] - [ -0.0000004700000000, -0.0000002700000000, -0.0009199800000000 ] - [ 0.0000000000000000, 0.0000005400000000, -0.0009199800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009200700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006831400000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0006832700000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0006832700000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0006832700000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0003451400000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0003451400000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0003451400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003453400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004956900000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0004881700000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0004881700000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0004881700000000 ] - [ 0.0000000000000000, 0.0000001700000000, -0.0009099700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009105600000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0009099700000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0009099700000000 ] - [ 0.0000001800000000, -0.0000001100000000, 0.0004528800000000 ] - [ -0.0000001800000000, -0.0000001100000000, 0.0004528800000000 ] - [ 0.0000000000000000, 0.0000002100000000, 0.0004528800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004547500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000411000000000 ] - [ 0.0000000000000000, -0.0000025600000000, 0.0000384000000000 ] - [ 0.0000022100000000, 0.0000012800000000, 0.0000384000000000 ] - [ -0.0000022100000000, 0.0000012800000000, 0.0000384000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007418900000000 ] - [ 0.0000000000000000, -0.0000005600000000, 0.0007464200000000 ] - [ 0.0000004800000000, 0.0000002800000000, 0.0007464200000000 ] - [ -0.0000004800000000, 0.0000002800000000, 0.0007464200000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0004115300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003873600000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0004115300000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0004115300000000 ] - [ -0.0000013600000000, 0.0000007800000000, 0.0011913400000000 ] - [ 0.0000013600000000, 0.0000007800000000, 0.0011913400000000 ] - [ 0.0000000000000000, -0.0000015700000000, 0.0011913400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011918400000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0005379400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005412100000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0005379400000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0005379400000000 ] - [ 0.0000000000000000, 0.0000001200000000, 0.0002634900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002640000000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0002634900000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0002634900000000 ] - [ 0.0002244700000000, -0.0001296000000000, 0.0005431900000000 ] - [ -0.0002244700000000, -0.0001296000000000, 0.0005431900000000 ] - [ 0.0000000000000000, 0.0002591900000000, 0.0005431900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003635900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001801100000000 ] - [ 0.0000000000000000, 0.0000480000000000, 0.0002444100000000 ] - [ -0.0000415700000000, -0.0000240000000000, 0.0002444100000000 ] - [ 0.0000415700000000, -0.0000240000000000, 0.0002444100000000 ] - [ 0.0000031900000000, -0.0000018400000000, -0.0003750200000000 ] - [ -0.0000031900000000, -0.0000018400000000, -0.0003750200000000 ] - [ 0.0000000000000000, 0.0000036800000000, -0.0003750200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003743600000000 ] - [ -0.0000002200000000, 0.0000001300000000, -0.0000403100000000 ] - [ 0.0000002200000000, 0.0000001300000000, -0.0000403100000000 ] - [ 0.0000000000000000, -0.0000002600000000, -0.0000403100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000399000000000 ] - [ 0.0000000000000000, -0.0000131300000000, 0.0005754500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005326500000000 ] - [ -0.0000113700000000, 0.0000065600000000, 0.0005754500000000 ] - [ 0.0000113700000000, 0.0000065600000000, 0.0005754500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0478213000000000 ] - [ 0.0000000000000000, -0.0000806500000000, -0.0021463400000000 ] - [ 0.0000698500000000, 0.0000403300000000, -0.0021463400000000 ] - [ -0.0000698500000000, 0.0000403300000000, -0.0021463400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006248800000000 ] - [ 0.0000000000000000, 0.0000015800000000, 0.0006243400000000 ] - [ -0.0000013700000000, -0.0000007900000000, 0.0006243400000000 ] - [ 0.0000013700000000, -0.0000007900000000, 0.0006243400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008847100000000 ] - [ 0.0000000000000000, -0.0001660000000000, 0.0009924500000000 ] - [ 0.0001437600000000, 0.0000830000000000, 0.0009924500000000 ] - [ -0.0001437600000000, 0.0000830000000000, 0.0009924500000000 ] - [ 0.0000000000000000, -0.0000004400000000, 0.0002564700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002569600000000 ] - [ -0.0000003800000000, 0.0000002200000000, 0.0002564700000000 ] - [ 0.0000003800000000, 0.0000002200000000, 0.0002564700000000 ] - [ -0.0009094300000000, 0.0005250600000000, 0.0010542100000000 ] - [ 0.0009094300000000, 0.0005250600000000, 0.0010542100000000 ] - [ 0.0000000000000000, -0.0010501200000000, 0.0010542100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003386500000000 ] - [ 0.0000000000000000, 0.0146600900000000, -0.0101109300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026115700000000 ] - [ 0.0126960100000000, -0.0073300500000000, -0.0101109300000000 ] - [ -0.0126960100000000, -0.0073300500000000, -0.0101109300000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000152100000000, 0.0000089800000000, -0.0004040000000000 ] - [ -0.0000142500000000, 0.0000097400000000, -0.0004039400000000 ] - [ -0.0000147100000000, 0.0000088500000000, -0.0004049200000000 ] - [ -0.0000135200000000, 0.0000086900000000, -0.0004040600000000 ] - [ -0.0000143700000000, 0.0000095800000000, 0.0003278200000000 ] - [ -0.0000140700000000, 0.0000093900000000, 0.0003398800000000 ] - [ -0.0000142800000000, 0.0000075300000000, 0.0003332300000000 ] - [ -0.0000143600000000, 0.0000077200000000, 0.0003339900000000 ] - [ 0.0000576900000000, -0.0000088200000000, 0.0000211400000000 ] - [ -0.0000246400000000, -0.0000088900000000, 0.0000193000000000 ] - [ 0.0000120900000000, 0.0000114900000000, -0.0001430200000000 ] - [ 0.0000118200000000, -0.0000307300000000, 0.0001820400000000 ] - [ 0.0000286600000000, -0.0000085200000000, 0.0004506500000000 ] - [ 0.0000018400000000, -0.0000088000000000, 0.0004509000000000 ] - [ 0.0000159600000000, -0.0000011300000000, 0.0004276300000000 ] - [ 0.0000154600000000, -0.0000161200000000, 0.0004757000000000 ] - [ -0.0000163800000000, 0.0000088400000000, 0.0004077900000000 ] - [ -0.0000152200000000, 0.0000093200000000, 0.0004087200000000 ] - [ -0.0000158200000000, 0.0000080000000000, 0.0004086800000000 ] - [ -0.0000150300000000, 0.0000091700000000, 0.0004080800000000 ] - [ 0.0010068300000000, 0.0000039700000000, 0.0001964500000000 ] - [ -0.0008269300000000, 0.0000130100000000, 0.0001925000000000 ] - [ -0.0005749200000000, 0.0009164200000000, -0.0016049200000000 ] - [ -0.0005685000000000, -0.0009062800000000, 0.0019856700000000 ] - [ -0.0000157700000000, 0.0000093800000000, -0.0001625700000000 ] - [ -0.0000142200000000, 0.0000093500000000, -0.0001622700000000 ] - [ -0.0000148300000000, 0.0000086300000000, -0.0001619600000000 ] - [ -0.0000150400000000, 0.0000095300000000, -0.0001626000000000 ] - [ -0.0000149000000000, 0.0000094900000000, -0.0001838100000000 ] - [ -0.0000149900000000, 0.0000099500000000, -0.0001841700000000 ] - [ -0.0000158200000000, 0.0000092000000000, -0.0001846500000000 ] - [ -0.0000149600000000, 0.0000096600000000, -0.0001835400000000 ] - [ 0.0000134900000000, -0.0002330100000000, 0.0008544400000000 ] - [ 0.0000116000000000, 0.0002161000000000, -0.0001315900000000 ] - [ -0.0004826600000000, -0.0000092800000000, 0.0003589800000000 ] - [ 0.0004014400000000, -0.0000100200000000, 0.0003617700000000 ] - [ -0.0000153900000000, 0.0000078400000000, -0.0003263300000000 ] - [ -0.0000134400000000, 0.0000086700000000, -0.0003262800000000 ] - [ -0.0000153000000000, 0.0000074900000000, -0.0003261600000000 ] - [ -0.0000138600000000, 0.0000084600000000, -0.0003251100000000 ] - [ -0.0716081000000000, 0.0010209100000000, -0.0008180500000000 ] - [ 0.0113095500000000, -0.0000101400000000, 0.0000092200000000 ] - [ -0.0005528300000000, -0.0068562700000000, -0.0032267300000000 ] - [ -0.0005676800000000, 0.0068321900000000, 0.0032339100000000 ] - [ -0.0000085300000000, 0.0000074900000000, 0.0004570900000000 ] - [ -0.0000170900000000, 0.0000085600000000, 0.0004573300000000 ] - [ -0.0000197200000000, 0.0000070700000000, 0.0004735300000000 ] - [ -0.0000181100000000, 0.0000091400000000, 0.0004419300000000 ] - [ 0.0000155700000000, -0.0000031000000000, -0.0007265700000000 ] - [ 0.0000150700000000, -0.0000136700000000, -0.0007262000000000 ] - [ 0.0000237000000000, -0.0000080100000000, -0.0007264200000000 ] - [ 0.0000061800000000, -0.0000082900000000, -0.0007276500000000 ] - [ 0.0000162100000000, -0.0000094500000000, -0.0005151000000000 ] - [ 0.0000156800000000, -0.0000084000000000, -0.0005157600000000 ] - [ 0.0000149700000000, -0.0000087000000000, -0.0005148600000000 ] - [ 0.0000168300000000, -0.0000090200000000, -0.0005153900000000 ] - [ 0.0000182200000000, -0.0000083000000000, -0.0002678600000000 ] - [ 0.0000134100000000, -0.0000074600000000, -0.0002665500000000 ] - [ 0.0000152200000000, -0.0000085400000000, -0.0002670000000000 ] - [ 0.0000166400000000, -0.0000111700000000, -0.0002671400000000 ] - [ -0.0000181400000000, -0.0001543600000000, 0.0001855600000000 ] - [ -0.0000176000000000, 0.0001716700000000, -0.0000451600000000 ] - [ -0.0004270400000000, 0.0000077000000000, 0.0000704000000000 ] - [ 0.0002645000000000, 0.0000082600000000, 0.0000701000000000 ] - [ -0.0001204100000000, -0.0000082800000000, -0.0000837000000000 ] - [ 0.0005674900000000, -0.0000099300000000, -0.0000756400000000 ] - [ -0.0002686400000000, 0.0000800000000000, 0.0060683000000000 ] - [ -0.0002805000000000, -0.0000979900000000, -0.0062210900000000 ] - [ 0.0000168200000000, -0.0000090100000000, -0.0005027300000000 ] - [ 0.0000155700000000, -0.0000103100000000, -0.0005040600000000 ] - [ 0.0000171500000000, -0.0000087100000000, -0.0005040900000000 ] - [ 0.0000150100000000, -0.0000093100000000, -0.0005025100000000 ] - [ 0.0000099100000000, 0.0000217000000000, 0.0000322900000000 ] - [ -0.0000016800000000, -0.0000399500000000, 0.0000206000000000 ] - [ 0.0001205500000000, 0.0000048700000000, 0.0000235200000000 ] - [ -0.0000492600000000, -0.0000019300000000, 0.0000357700000000 ] - [ -0.0000025800000000, 0.0000062400000000, -0.0003786100000000 ] - [ -0.0000083500000000, 0.0000062600000000, -0.0003815900000000 ] - [ -0.0000054200000000, 0.0000014900000000, -0.0003818500000000 ] - [ -0.0000054700000000, -0.0000018100000000, -0.0003774300000000 ] - [ 0.0016076700000000, -0.0001339300000000, 0.0002754200000000 ] - [ -0.0004544600000000, 0.0000052900000000, 0.0003276400000000 ] - [ 0.0302151900000000, -0.0165966000000000, 0.0120393100000000 ] - [ 0.0289822200000000, 0.0157316500000000, -0.0107783000000000 ] - [ 0.0000033000000000, -0.0000040600000000, -0.0000032500000000 ] - [ 0.0000083400000000, -0.0000031200000000, 0.0000029800000000 ] - [ 0.0000051100000000, -0.0000048400000000, 0.0000051300000000 ] - [ 0.0000066000000000, -0.0000019800000000, -0.0000057100000000 ] - [ -0.0000087400000000, -0.0003933800000000, -0.0001482100000000 ] - [ -0.0000151500000000, 0.0004082300000000, 0.0016912400000000 ] - [ -0.0015449100000000, -0.0000006700000000, 0.0007814400000000 ] - [ 0.0006822700000000, -0.0000028300000000, 0.0007716200000000 ] - [ -0.0000081500000000, 0.0000081400000000, 0.0001129900000000 ] - [ -0.0000027600000000, 0.0000003500000000, 0.0001105500000000 ] - [ 0.0000015200000000, -0.0000006600000000, 0.0001140300000000 ] - [ -0.0000120100000000, 0.0000022100000000, 0.0001186500000000 ] - [ 0.0036718000000000, 0.0000175800000000, -0.0000315700000000 ] - [ -0.0010547200000000, -0.0000007000000000, -0.0001655700000000 ] - [ 0.0000174100000000, 0.0006152300000000, 0.0005674800000000 ] - [ 0.0000190200000000, -0.0006236000000000, -0.0009014800000000 ] - [ 0.0000052000000000, -0.0000043900000000, 0.0002210100000000 ] - [ 0.0000068400000000, -0.0000037800000000, 0.0002191700000000 ] - [ 0.0000054500000000, -0.0000036200000000, 0.0002201900000000 ] - [ 0.0000065200000000, -0.0000026400000000, 0.0002210200000000 ] - [ 0.0000073200000000, -0.0000032600000000, -0.0002070600000000 ] - [ 0.0000052100000000, -0.0000036600000000, -0.0002052800000000 ] - [ 0.0000066200000000, -0.0000038800000000, -0.0002080000000000 ] - [ 0.0000059700000000, -0.0000050400000000, -0.0002042800000000 ] - [ 0.0000110100000000, -0.0000080800000000, -0.0008004000000000 ] - [ 0.0000003600000000, 0.0000004300000000, -0.0008012300000000 ] - [ -0.0000015900000000, -0.0000003100000000, -0.0007993000000000 ] - [ 0.0000130900000000, -0.0000063700000000, -0.0008047200000000 ] - [ -0.0000074700000000, 0.0000044200000000, -0.0004369400000000 ] - [ -0.0000046400000000, 0.0000028300000000, -0.0004411600000000 ] - [ -0.0000039600000000, 0.0000021200000000, -0.0004434800000000 ] - [ -0.0000074000000000, 0.0000037800000000, -0.0004376800000000 ] - [ 0.0000277200000000, 0.0000015700000000, 0.0001445400000000 ] - [ -0.0000372200000000, 0.0000023000000000, 0.0001475000000000 ] - [ -0.0000361500000000, 0.0000049500000000, 0.0005964300000000 ] - [ -0.0000343800000000, 0.0000027300000000, -0.0003068200000000 ] - [ -0.0000013600000000, -0.0000004700000000, 0.0004976500000000 ] - [ 0.0000128500000000, -0.0000007500000000, 0.0005055000000000 ] - [ 0.0000060900000000, -0.0000117600000000, 0.0005009800000000 ] - [ 0.0000056100000000, -0.0000033900000000, 0.0004921000000000 ] - [ -0.0002091100000000, -0.0000048300000000, 0.0002256300000000 ] - [ 0.0001736100000000, 0.0000013600000000, 0.0002252700000000 ] - [ 0.0003436600000000, -0.0003273800000000, -0.0003473900000000 ] - [ 0.0003562600000000, 0.0003181500000000, 0.0007954600000000 ] - [ 0.0000169500000000, 0.0000019300000000, 0.0005661400000000 ] - [ -0.0000338300000000, 0.0000009300000000, 0.0005627500000000 ] - [ -0.0000047100000000, 0.0000175600000000, 0.0006171000000000 ] - [ -0.0000064800000000, -0.0000084400000000, 0.0005005100000000 ] - [ 0.0000000500000000, 0.0000029800000000, -0.0001711200000000 ] - [ -0.0000115700000000, 0.0000075100000000, -0.0001625000000000 ] - [ -0.0000069800000000, 0.0000055300000000, -0.0001569700000000 ] - [ 0.0000008300000000, -0.0000042400000000, -0.0001849600000000 ] - [ -0.0000088900000000, 0.0000083700000000, 0.0002897000000000 ] - [ -0.0000038500000000, 0.0000066500000000, 0.0002650700000000 ] - [ -0.0000038500000000, -0.0000025600000000, 0.0002821800000000 ] - [ -0.0000078500000000, 0.0000002300000000, 0.0002834600000000 ] - [ 0.0000104600000000, -0.0000043800000000, -0.0001082300000000 ] - [ 0.0000018500000000, 0.0000026700000000, -0.0001126500000000 ] - [ -0.0000002400000000, -0.0000038600000000, -0.0001110100000000 ] - [ 0.0000118800000000, -0.0000085100000000, -0.0001117900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000151300000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0000064600000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0000064600000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0000064600000000 ] - [ -0.0000005100000000, -0.0000002900000000, 0.0007543800000000 ] - [ 0.0000005100000000, -0.0000002900000000, 0.0007543800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007543000000000 ] - [ 0.0000000000000000, 0.0000005900000000, 0.0007543800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004139600000000 ] - [ 0.0000000000000000, 0.0000160800000000, 0.0004324600000000 ] - [ -0.0000139300000000, -0.0000080400000000, 0.0004324600000000 ] - [ 0.0000139300000000, -0.0000080400000000, 0.0004324600000000 ] - [ 0.0000000000000000, 0.0000007900000000, 0.0008793000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008713300000000 ] - [ 0.0000006800000000, -0.0000003900000000, 0.0008793000000000 ] - [ -0.0000006800000000, -0.0000003900000000, 0.0008793000000000 ] - [ 0.0000000000000000, 0.0000004200000000, 0.0008175100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008171000000000 ] - [ 0.0000003600000000, -0.0000002100000000, 0.0008175100000000 ] - [ -0.0000003600000000, -0.0000002100000000, 0.0008175100000000 ] - [ 0.0000000000000000, -0.0070181300000000, 0.0014092600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003520900000000 ] - [ -0.0060778800000000, 0.0035090600000000, 0.0014092600000000 ] - [ 0.0060778800000000, 0.0035090600000000, 0.0014092600000000 ] - [ 0.0000001900000000, 0.0000001100000000, 0.0002531600000000 ] - [ -0.0000001900000000, 0.0000001100000000, 0.0002531600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002534600000000 ] - [ 0.0000000000000000, -0.0000002200000000, 0.0002531600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002306800000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0002365200000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0002365200000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0002365200000000 ] - [ -0.0000766300000000, -0.0000442500000000, 0.0008954500000000 ] - [ 0.0000766300000000, -0.0000442500000000, 0.0008954500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005444200000000 ] - [ 0.0000000000000000, 0.0000884900000000, 0.0008954500000000 ] - [ 0.0000000000000000, 0.0000002800000000, 0.0000892500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000895700000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0000892500000000 ] - [ -0.0000002400000000, -0.0000001400000000, 0.0000892500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0735573800000000 ] - [ 0.0000000000000000, 0.0037392700000000, -0.0061915900000000 ] - [ -0.0032383100000000, -0.0018696400000000, -0.0061915900000000 ] - [ 0.0032383100000000, -0.0018696400000000, -0.0061915900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008639000000000 ] - [ 0.0000000000000000, -0.0001933200000000, 0.0008830400000000 ] - [ 0.0001674200000000, 0.0000966600000000, 0.0008830400000000 ] - [ -0.0001674200000000, 0.0000966600000000, 0.0008830400000000 ] - [ 0.0000321600000000, 0.0000185700000000, -0.0003138400000000 ] - [ -0.0000321600000000, 0.0000185700000000, -0.0003138400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002807400000000 ] - [ 0.0000000000000000, -0.0000371300000000, -0.0003138400000000 ] - [ 0.0000004900000000, 0.0000002900000000, -0.0000943600000000 ] - [ -0.0000004900000000, 0.0000002900000000, -0.0000943600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000940400000000 ] - [ 0.0000000000000000, -0.0000005700000000, -0.0000943600000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0001376700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001399500000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0001376700000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0001376700000000 ] - [ -0.0005661400000000, -0.0003268600000000, 0.0005868900000000 ] - [ 0.0005661400000000, -0.0003268600000000, 0.0005868900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002599300000000 ] - [ 0.0000000000000000, 0.0006537200000000, 0.0005868900000000 ] - [ 0.0000000000000000, 0.0016905800000000, 0.0013423300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009508600000000 ] - [ 0.0014640800000000, -0.0008452900000000, 0.0013423300000000 ] - [ -0.0014640800000000, -0.0008452900000000, 0.0013423300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000823500000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0000840600000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0000840600000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0000840600000000 ] - [ 0.0000824700000000, 0.0000476100000000, -0.0002483200000000 ] - [ -0.0000824700000000, 0.0000476100000000, -0.0002483200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007988800000000 ] - [ 0.0000000000000000, -0.0000952300000000, -0.0002483200000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0007818200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007790100000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0007818200000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0007818200000000 ] - [ 0.0000000000000000, 0.0146284800000000, 0.0102292600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029426800000000 ] - [ 0.0126686400000000, -0.0073142400000000, 0.0102292600000000 ] - [ -0.0126686400000000, -0.0073142400000000, 0.0102292600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004271800000000 ] - [ 0.0000000000000000, -0.0000002800000000, -0.0004278400000000 ] - [ 0.0000002400000000, 0.0000001400000000, -0.0004278400000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0004278400000000 ] - [ -0.0002268500000000, -0.0001309700000000, 0.0004626800000000 ] - [ 0.0002268500000000, -0.0001309700000000, 0.0004626800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013632400000000 ] - [ 0.0000000000000000, 0.0002619500000000, 0.0004626800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002921100000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0002910800000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0002910800000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0002910800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0449208800000000 ] - [ 0.0000000000000000, -0.0006428400000000, 0.0025758800000000 ] - [ 0.0005567200000000, 0.0003214200000000, 0.0025758800000000 ] - [ -0.0005567200000000, 0.0003214200000000, 0.0025758800000000 ] - [ -0.0000005500000000, -0.0000003200000000, -0.0001932000000000 ] - [ 0.0000005500000000, -0.0000003200000000, -0.0001932000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001927100000000 ] - [ 0.0000000000000000, 0.0000006400000000, -0.0001932000000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0006112900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006109400000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0006112900000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0006112900000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0012127700000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0012127700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012125400000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0012127700000000 ] - [ -0.0000071400000000, -0.0000041200000000, -0.0008741600000000 ] - [ 0.0000071400000000, -0.0000041200000000, -0.0008741600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008736000000000 ] - [ 0.0000000000000000, 0.0000082400000000, -0.0008741600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002262400000000 ] - [ 0.0000000000000000, 0.0000480100000000, -0.0002901400000000 ] - [ -0.0000415800000000, -0.0000240000000000, -0.0002901400000000 ] - [ 0.0000415800000000, -0.0000240000000000, -0.0002901400000000 ] - [ 0.0000000000000000, 0.0000004300000000, 0.0000869300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000863600000000 ] - [ 0.0000003800000000, -0.0000002200000000, 0.0000869300000000 ] - [ -0.0000003800000000, -0.0000002200000000, 0.0000869300000000 ] - [ 0.0000000000000000, 0.0012050700000000, -0.0005974800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009606500000000 ] - [ 0.0010436200000000, -0.0006025300000000, -0.0005974800000000 ] - [ -0.0010436200000000, -0.0006025300000000, -0.0005974800000000 ] - [ 0.0000000000000000, 0.0000040100000000, 0.0001203200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001447600000000 ] - [ 0.0000034700000000, -0.0000020000000000, 0.0001203200000000 ] - [ -0.0000034700000000, -0.0000020000000000, 0.0001203200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005161200000000 ] - [ 0.0000000000000000, 0.0000311100000000, -0.0006015400000000 ] - [ -0.0000269400000000, -0.0000155600000000, -0.0006015400000000 ] - [ 0.0000269400000000, -0.0000155600000000, -0.0006015400000000 ] - [ -0.0000011700000000, -0.0000006700000000, -0.0001248400000000 ] - [ 0.0000011700000000, -0.0000006700000000, -0.0001248400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001243400000000 ] - [ 0.0000000000000000, 0.0000013500000000, -0.0001248400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005214300000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0005203000000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0005203000000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0005203000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008265800000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0008202900000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0008202900000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0008202900000000 ] - [ 0.0000003700000000, 0.0000002100000000, -0.0000737300000000 ] - [ -0.0000003700000000, 0.0000002100000000, -0.0000737300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000735300000000 ] - [ 0.0000000000000000, -0.0000004200000000, -0.0000737300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003901400000000 ] - [ 0.0000000000000000, -0.0000157800000000, -0.0004092400000000 ] - [ 0.0000136700000000, 0.0000078900000000, -0.0004092400000000 ] - [ -0.0000136700000000, 0.0000078900000000, -0.0004092400000000 ] - [ 0.0000000000000000, -0.0000006900000000, 0.0000310700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000388800000000 ] - [ -0.0000006000000000, 0.0000003400000000, 0.0000310700000000 ] - [ 0.0000006000000000, 0.0000003400000000, 0.0000310700000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0000102600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000101400000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0000102600000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0000102600000000 ] - [ 0.0000000000000000, 0.0070228200000000, -0.0010459900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007406900000000 ] - [ 0.0060819400000000, -0.0035114100000000, -0.0010459900000000 ] - [ -0.0060819400000000, -0.0035114100000000, -0.0010459900000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0005733800000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0005733800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005734300000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0005733800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005996700000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0006039200000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0006039200000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0006039200000000 ] - [ 0.0000763300000000, 0.0000440700000000, -0.0001677000000000 ] - [ -0.0000763300000000, 0.0000440700000000, -0.0001677000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001779800000000 ] - [ 0.0000000000000000, -0.0000881400000000, -0.0001677000000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0007398500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007400800000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0007398500000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0007398500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0761229400000000 ] - [ 0.0000000000000000, -0.0037250500000000, 0.0062222000000000 ] - [ 0.0032259900000000, 0.0018625200000000, 0.0062222000000000 ] - [ -0.0032259900000000, 0.0018625200000000, 0.0062222000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000651200000000 ] - [ 0.0000000000000000, 0.0001920500000000, 0.0000449400000000 ] - [ -0.0001663200000000, -0.0000960200000000, 0.0000449400000000 ] - [ 0.0001663200000000, -0.0000960200000000, 0.0000449400000000 ] - [ -0.0000321800000000, -0.0000185800000000, -0.0011407400000000 ] - [ 0.0000321800000000, -0.0000185800000000, -0.0011407400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011734900000000 ] - [ 0.0000000000000000, 0.0000371500000000, -0.0011407400000000 ] - [ 0.0000000800000000, 0.0000000400000000, -0.0009222000000000 ] - [ -0.0000000800000000, 0.0000000400000000, -0.0009222000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009223800000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0009222000000000 ] - [ 0.0000000000000000, -0.0000004100000000, -0.0006889000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006919400000000 ] - [ -0.0000003500000000, 0.0000002000000000, -0.0006889000000000 ] - [ 0.0000003500000000, 0.0000002000000000, -0.0006889000000000 ] - [ 0.0005629400000000, 0.0003250100000000, -0.0004607800000000 ] - [ -0.0005629400000000, 0.0003250100000000, -0.0004607800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001364900000000 ] - [ 0.0000000000000000, -0.0006500300000000, -0.0004607800000000 ] - [ 0.0000000000000000, -0.0016653800000000, -0.0014913000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007852300000000 ] - [ -0.0014422600000000, 0.0008326900000000, -0.0014913000000000 ] - [ 0.0014422600000000, 0.0008326900000000, -0.0014913000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009148300000000 ] - [ 0.0000000000000000, 0.0000010800000000, -0.0009132600000000 ] - [ -0.0000009400000000, -0.0000005400000000, -0.0009132600000000 ] - [ 0.0000009400000000, -0.0000005400000000, -0.0009132600000000 ] - [ -0.0000820400000000, -0.0000473700000000, 0.0003185200000000 ] - [ 0.0000820400000000, -0.0000473700000000, 0.0003185200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008675800000000 ] - [ 0.0000000000000000, 0.0000947300000000, 0.0003185200000000 ] - [ 0.0000000000000000, -0.0000017200000000, 0.0000417600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000382500000000 ] - [ -0.0000014900000000, 0.0000008600000000, 0.0000417600000000 ] - [ 0.0000014900000000, 0.0000008600000000, 0.0000417600000000 ] - [ 0.0000000000000000, -0.0145534600000000, -0.0096562700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022836200000000 ] - [ -0.0126036700000000, 0.0072767300000000, -0.0096562700000000 ] - [ 0.0126036700000000, 0.0072767300000000, -0.0096562700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003873400000000 ] - [ 0.0000000000000000, -0.0000012100000000, 0.0003883800000000 ] - [ 0.0000010500000000, 0.0000006000000000, 0.0003883800000000 ] - [ -0.0000010500000000, 0.0000006000000000, 0.0003883800000000 ] - [ 0.0002259600000000, 0.0001304600000000, 0.0011022400000000 ] - [ -0.0002259600000000, 0.0001304600000000, 0.0011022400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002146200000000 ] - [ 0.0000000000000000, -0.0002609100000000, 0.0011022400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005412400000000 ] - [ 0.0000000000000000, -0.0000005000000000, 0.0005395200000000 ] - [ 0.0000004400000000, 0.0000002500000000, 0.0005395200000000 ] - [ -0.0000004400000000, 0.0000002500000000, 0.0005395200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0477605700000000 ] - [ 0.0000000000000000, 0.0006400600000000, -0.0028748600000000 ] - [ -0.0005543100000000, -0.0003200300000000, -0.0028748600000000 ] - [ 0.0005543100000000, -0.0003200300000000, -0.0028748600000000 ] - [ -0.0000002000000000, -0.0000001200000000, 0.0006281000000000 ] - [ 0.0000002000000000, -0.0000001200000000, 0.0006281000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006280100000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0006281000000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0002088200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002082500000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0002088200000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0002088200000000 ] - [ -0.0000005000000000, -0.0000002900000000, -0.0003799600000000 ] - [ 0.0000005000000000, -0.0000002900000000, -0.0003799600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003800300000000 ] - [ 0.0000000000000000, 0.0000005800000000, -0.0003799600000000 ] - [ 0.0000066700000000, 0.0000038500000000, -0.0000588900000000 ] - [ -0.0000066700000000, 0.0000038500000000, -0.0000588900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000597500000000 ] - [ 0.0000000000000000, -0.0000077000000000, -0.0000588900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005219600000000 ] - [ 0.0000000000000000, -0.0000475500000000, 0.0005867700000000 ] - [ 0.0000411800000000, 0.0000237800000000, 0.0005867700000000 ] - [ -0.0000411800000000, 0.0000237800000000, 0.0005867700000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0009172600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009172400000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0009172600000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0009172600000000 ] - [ 0.0000000000000000, -0.0011987400000000, 0.0009990900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005495700000000 ] - [ -0.0010381400000000, 0.0005993700000000, 0.0009990900000000 ] - [ 0.0010381400000000, 0.0005993700000000, 0.0009990900000000 ] - [ 0.0000000000000000, -0.0000052600000000, 0.0009519400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009279200000000 ] - [ -0.0000045500000000, 0.0000026300000000, 0.0009519400000000 ] - [ 0.0000045500000000, 0.0000026300000000, 0.0009519400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001909400000000 ] - [ 0.0000000000000000, -0.0000301700000000, 0.0002758700000000 ] - [ 0.0000261300000000, 0.0000150900000000, 0.0002758700000000 ] - [ -0.0000261300000000, 0.0000150900000000, 0.0002758700000000 ] - [ 0.0000008800000000, 0.0000005100000000, 0.0007085700000000 ] - [ -0.0000008800000000, 0.0000005100000000, 0.0007085700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007088800000000 ] - [ 0.0000000000000000, -0.0000010200000000, 0.0007085700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003009100000000 ] - [ 0.0000000000000000, -0.0000009400000000, 0.0003005700000000 ] - [ 0.0000008100000000, 0.0000004700000000, 0.0003005700000000 ] - [ -0.0000008100000000, 0.0000004700000000, 0.0003005700000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000130300000000, 0.0000096600000000, -0.0004082900000000 ] - [ -0.0000142900000000, 0.0000094800000000, -0.0004084500000000 ] - [ -0.0000143000000000, 0.0000093800000000, -0.0004082900000000 ] - [ -0.0000145000000000, 0.0000094600000000, -0.0004086300000000 ] - [ -0.0000144400000000, 0.0000091900000000, 0.0003375800000000 ] - [ -0.0000145900000000, 0.0000092800000000, 0.0003376600000000 ] - [ -0.0000145900000000, 0.0000087000000000, 0.0003375300000000 ] - [ -0.0000144200000000, 0.0000086000000000, 0.0003374800000000 ] - [ 0.0000159700000000, -0.0000087700000000, 0.0000108700000000 ] - [ 0.0000150100000000, -0.0000088600000000, 0.0000107800000000 ] - [ 0.0000155700000000, -0.0000084700000000, 0.0000098800000000 ] - [ 0.0000156500000000, -0.0000091300000000, 0.0000115800000000 ] - [ 0.0000155800000000, -0.0000082500000000, 0.0004515900000000 ] - [ 0.0000150100000000, -0.0000081500000000, 0.0004516100000000 ] - [ 0.0000152500000000, -0.0000080800000000, 0.0004514500000000 ] - [ 0.0000154200000000, -0.0000084100000000, 0.0004517800000000 ] - [ -0.0000157400000000, 0.0000093600000000, 0.0004019100000000 ] - [ -0.0000162100000000, 0.0000089500000000, 0.0004019900000000 ] - [ -0.0000157400000000, 0.0000095200000000, 0.0004022600000000 ] - [ -0.0000165200000000, 0.0000091200000000, 0.0004019900000000 ] - [ 0.0003717000000000, 0.0000102600000000, 0.0001946300000000 ] - [ -0.0005154600000000, 0.0000103200000000, 0.0001910300000000 ] - [ -0.0000185700000000, 0.0002356000000000, 0.0006874200000000 ] - [ -0.0000190500000000, -0.0002153000000000, -0.0002990400000000 ] - [ -0.0000154100000000, 0.0000097100000000, -0.0001621500000000 ] - [ -0.0000154300000000, 0.0000097900000000, -0.0001624200000000 ] - [ -0.0000154900000000, 0.0000094700000000, -0.0001622800000000 ] - [ -0.0000153700000000, 0.0000094600000000, -0.0001622600000000 ] - [ -0.0000175000000000, 0.0000100300000000, -0.0001861500000000 ] - [ -0.0000146600000000, 0.0000100600000000, -0.0001865400000000 ] - [ -0.0000159200000000, 0.0000091600000000, -0.0001852800000000 ] - [ -0.0000158600000000, 0.0000105600000000, -0.0001870200000000 ] - [ 0.0000161200000000, -0.0000091700000000, 0.0003662600000000 ] - [ 0.0000159300000000, -0.0000077300000000, 0.0003552600000000 ] - [ 0.0000144900000000, -0.0000085900000000, 0.0003609300000000 ] - [ 0.0000172400000000, -0.0000087100000000, 0.0003606000000000 ] - [ -0.0000147900000000, 0.0000085600000000, -0.0003266900000000 ] - [ -0.0000152500000000, 0.0000084600000000, -0.0003267400000000 ] - [ -0.0000145200000000, 0.0000084100000000, -0.0003265100000000 ] - [ -0.0000147200000000, 0.0000086400000000, -0.0003263500000000 ] - [ 0.0000202200000000, -0.0000082700000000, 0.0000094900000000 ] - [ 0.0000123000000000, -0.0000080100000000, 0.0000083100000000 ] - [ 0.0000100600000000, -0.0000098100000000, 0.0001753400000000 ] - [ 0.0000102500000000, -0.0000073700000000, -0.0001582100000000 ] - [ -0.0716060300000000, -0.0010303700000000, -0.0001559800000000 ] - [ 0.0112801300000000, 0.0000469800000000, 0.0004658300000000 ] - [ -0.0005992800000000, -0.0068459900000000, 0.0036932200000000 ] - [ -0.0005818900000000, 0.0068429100000000, -0.0027744400000000 ] - [ -0.0005437900000000, -0.0009138900000000, -0.0025322800000000 ] - [ -0.0005393900000000, 0.0009076100000000, 0.0010636700000000 ] - [ -0.0007976500000000, -0.0000106100000000, -0.0007317100000000 ] - [ 0.0010359200000000, -0.0000027500000000, -0.0007290100000000 ] - [ 0.0000152900000000, -0.0000136200000000, -0.0005130900000000 ] - [ 0.0000156100000000, -0.0000035200000000, -0.0005098500000000 ] - [ 0.0000057200000000, -0.0000085100000000, -0.0005113900000000 ] - [ 0.0000241700000000, -0.0000083400000000, -0.0005114900000000 ] - [ 0.0002955600000000, -0.0000082500000000, -0.0002766300000000 ] - [ -0.0003970500000000, -0.0000071500000000, -0.0002768300000000 ] - [ 0.0000119500000000, 0.0001542200000000, -0.0001607500000000 ] - [ 0.0000134000000000, -0.0001724000000000, -0.0003923300000000 ] - [ -0.0002997700000000, -0.0000792200000000, 0.0062100100000000 ] - [ -0.0003119800000000, 0.0000958900000000, -0.0060775000000000 ] - [ 0.0005371700000000, 0.0000096600000000, 0.0000678100000000 ] - [ -0.0001542100000000, 0.0000077100000000, 0.0000592100000000 ] - [ 0.0000017500000000, -0.0000090000000000, -0.0000794400000000 ] - [ 0.0000303300000000, -0.0000088100000000, -0.0000796500000000 ] - [ 0.0000161500000000, -0.0000173800000000, -0.0000662300000000 ] - [ 0.0000164300000000, -0.0000005700000000, -0.0000921700000000 ] - [ 0.0000192800000000, -0.0000090500000000, -0.0005013400000000 ] - [ 0.0000124500000000, -0.0000090300000000, -0.0005004800000000 ] - [ 0.0000103500000000, -0.0000101300000000, -0.0005164400000000 ] - [ 0.0000102400000000, -0.0000076800000000, -0.0004843400000000 ] - [ 0.0302455600000000, 0.0166091300000000, 0.0117584500000000 ] - [ 0.0290025900000000, -0.0157451000000000, -0.0110743800000000 ] - [ -0.0004373700000000, -0.0000033900000000, 0.0000307500000000 ] - [ 0.0016105200000000, 0.0001302800000000, -0.0000131900000000 ] - [ -0.0000572100000000, 0.0000042600000000, -0.0003750200000000 ] - [ 0.0001061800000000, 0.0000038300000000, -0.0003763800000000 ] - [ -0.0000069800000000, -0.0000260400000000, -0.0003695600000000 ] - [ -0.0000075800000000, 0.0000315200000000, -0.0003817000000000 ] - [ -0.0000407100000000, 0.0000022100000000, 0.0003255300000000 ] - [ 0.0000257800000000, 0.0000032600000000, 0.0003267300000000 ] - [ -0.0000060200000000, -0.0000172600000000, 0.0003017200000000 ] - [ -0.0000043300000000, 0.0000236600000000, 0.0003483400000000 ] - [ 0.0000051900000000, -0.0000037200000000, -0.0000148300000000 ] - [ 0.0000060800000000, -0.0000028700000000, -0.0000136200000000 ] - [ 0.0000051600000000, -0.0000031200000000, -0.0000127200000000 ] - [ 0.0000063500000000, -0.0000026900000000, -0.0000154500000000 ] - [ -0.0000058800000000, 0.0000040800000000, 0.0007607100000000 ] - [ -0.0000074200000000, 0.0000049100000000, 0.0007914700000000 ] - [ -0.0000064100000000, 0.0000032600000000, 0.0007765000000000 ] - [ -0.0000059800000000, 0.0000023400000000, 0.0007766400000000 ] - [ -0.0000050300000000, 0.0000040800000000, 0.0001192500000000 ] - [ -0.0000066800000000, 0.0000025100000000, 0.0001190500000000 ] - [ -0.0000016900000000, 0.0000046100000000, 0.0001046100000000 ] - [ -0.0000043200000000, 0.0000003100000000, 0.0001355800000000 ] - [ 0.0000446700000000, -0.0000031500000000, -0.0001579600000000 ] - [ -0.0000326600000000, -0.0000032800000000, -0.0001582800000000 ] - [ -0.0000250100000000, 0.0000010400000000, -0.0006099800000000 ] - [ -0.0000255100000000, -0.0000074200000000, 0.0002942000000000 ] - [ 0.0000052400000000, -0.0000033300000000, 0.0002163400000000 ] - [ 0.0000056000000000, -0.0000032000000000, 0.0002157200000000 ] - [ 0.0000054600000000, -0.0000032300000000, 0.0002160400000000 ] - [ 0.0000054700000000, -0.0000030000000000, 0.0002159700000000 ] - [ 0.0000059400000000, -0.0000036100000000, -0.0002026200000000 ] - [ 0.0000056200000000, -0.0000035000000000, -0.0002020700000000 ] - [ 0.0000057500000000, -0.0000035100000000, -0.0002027800000000 ] - [ 0.0000058600000000, -0.0000036300000000, -0.0002017600000000 ] - [ 0.0000065000000000, -0.0000033000000000, -0.0007976900000000 ] - [ 0.0000041100000000, -0.0000030300000000, -0.0007992800000000 ] - [ 0.0000059200000000, -0.0000026200000000, -0.0007982400000000 ] - [ 0.0000055800000000, -0.0000038100000000, -0.0007994800000000 ] - [ 0.0003376400000000, 0.0003271000000000, -0.0010267300000000 ] - [ 0.0003371700000000, -0.0003203400000000, 0.0001103300000000 ] - [ 0.0001621000000000, 0.0000037100000000, -0.0004592100000000 ] - [ -0.0002232900000000, 0.0000024200000000, -0.0004596500000000 ] - [ -0.0000060800000000, 0.0000029000000000, 0.0001465300000000 ] - [ -0.0000061500000000, 0.0000031200000000, 0.0001470100000000 ] - [ -0.0000060500000000, 0.0000037500000000, 0.0001483700000000 ] - [ -0.0000057000000000, 0.0000033800000000, 0.0001442000000000 ] - [ 0.0000040200000000, -0.0000030200000000, 0.0004991500000000 ] - [ 0.0000068600000000, -0.0000028700000000, 0.0005009800000000 ] - [ 0.0000052800000000, -0.0000052300000000, 0.0004997400000000 ] - [ 0.0000055400000000, -0.0000036300000000, 0.0004979900000000 ] - [ 0.0006928000000000, -0.0000034700000000, 0.0002043100000000 ] - [ -0.0015307200000000, -0.0000005000000000, 0.0002139700000000 ] - [ -0.0000011400000000, 0.0003964100000000, -0.0007116700000000 ] - [ 0.0000012300000000, -0.0004035500000000, 0.0011248300000000 ] - [ -0.0000062800000000, 0.0000031300000000, 0.0005460900000000 ] - [ -0.0000052000000000, 0.0000027600000000, 0.0005452500000000 ] - [ -0.0000054400000000, 0.0000034400000000, 0.0005450200000000 ] - [ -0.0000060800000000, 0.0000041400000000, 0.0005438400000000 ] - [ 0.0036572200000000, -0.0000159400000000, -0.0000354500000000 ] - [ -0.0010719900000000, 0.0000030900000000, -0.0001631000000000 ] - [ 0.0000062200000000, 0.0006240800000000, -0.0009055500000000 ] - [ 0.0000065100000000, -0.0006209700000000, 0.0005712400000000 ] - [ -0.0000068300000000, 0.0000043900000000, 0.0002866100000000 ] - [ -0.0000055400000000, 0.0000046500000000, 0.0002882000000000 ] - [ -0.0000064200000000, 0.0000023000000000, 0.0002885200000000 ] - [ -0.0000059000000000, 0.0000029200000000, 0.0002888700000000 ] - [ 0.0000060000000000, -0.0000034000000000, -0.0001116500000000 ] - [ 0.0000047300000000, -0.0000014400000000, -0.0001125600000000 ] - [ 0.0000038200000000, -0.0000033900000000, -0.0001123200000000 ] - [ 0.0000070500000000, -0.0000041900000000, -0.0001120400000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000045100000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0000017300000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0000017300000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0000017300000000 ] - [ 0.0000005100000000, 0.0000002900000000, 0.0007456600000000 ] - [ -0.0000005100000000, 0.0000002900000000, 0.0007456600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007453800000000 ] - [ 0.0000000000000000, -0.0000005800000000, 0.0007456600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004175500000000 ] - [ 0.0000000000000000, 0.0000002100000000, 0.0004144900000000 ] - [ -0.0000001800000000, -0.0000001000000000, 0.0004144900000000 ] - [ 0.0000001800000000, -0.0000001000000000, 0.0004144900000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0008634300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008632300000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0008634300000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0008634300000000 ] - [ 0.0000000000000000, 0.0000004200000000, 0.0008103600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008097300000000 ] - [ 0.0000003700000000, -0.0000002100000000, 0.0008103600000000 ] - [ -0.0000003700000000, -0.0000002100000000, 0.0008103600000000 ] - [ 0.0000000000000000, -0.0000879400000000, 0.0007247400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003740400000000 ] - [ -0.0000761600000000, 0.0000439700000000, 0.0007247400000000 ] - [ 0.0000761600000000, 0.0000439700000000, 0.0007247400000000 ] - [ 0.0000002100000000, 0.0000001200000000, 0.0002427400000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0002427400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002428500000000 ] - [ 0.0000000000000000, -0.0000002400000000, 0.0002427400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002276800000000 ] - [ 0.0000000000000000, -0.0000085200000000, 0.0002283700000000 ] - [ 0.0000073800000000, 0.0000042600000000, 0.0002283700000000 ] - [ -0.0000073800000000, 0.0000042600000000, 0.0002283700000000 ] - [ 0.0000004000000000, 0.0000002300000000, 0.0007700500000000 ] - [ -0.0000004000000000, 0.0000002300000000, 0.0007700500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007686100000000 ] - [ 0.0000000000000000, -0.0000004600000000, 0.0007700500000000 ] - [ 0.0000000000000000, 0.0000005600000000, 0.0000827700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000823000000000 ] - [ 0.0000004800000000, -0.0000002800000000, 0.0000827700000000 ] - [ -0.0000004800000000, -0.0000002800000000, 0.0000827700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004041700000000 ] - [ 0.0000000000000000, -0.0000185500000000, 0.0004228200000000 ] - [ 0.0000160600000000, 0.0000092700000000, 0.0004228200000000 ] - [ -0.0000160600000000, 0.0000092700000000, 0.0004228200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0721109000000000 ] - [ 0.0000000000000000, -0.0037378100000000, -0.0057433600000000 ] - [ 0.0032370400000000, 0.0018689000000000, -0.0057433600000000 ] - [ -0.0032370400000000, 0.0018689000000000, -0.0057433600000000 ] - [ -0.0060765400000000, -0.0035082900000000, 0.0004750800000000 ] - [ 0.0060765400000000, -0.0035082900000000, 0.0004750800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012877000000000 ] - [ 0.0000000000000000, 0.0070165800000000, 0.0004750800000000 ] - [ 0.0000256900000000, 0.0000148300000000, -0.0000997000000000 ] - [ -0.0000256900000000, 0.0000148300000000, -0.0000997000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001069200000000 ] - [ 0.0000000000000000, -0.0000296600000000, -0.0000997000000000 ] - [ 0.0000000000000000, -0.0006527100000000, 0.0002429800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000849200000000 ] - [ -0.0005652600000000, 0.0003263600000000, 0.0002429800000000 ] - [ 0.0005652600000000, 0.0003263600000000, 0.0002429800000000 ] - [ 0.0014653400000000, 0.0008460100000000, 0.0014801600000000 ] - [ -0.0014653400000000, 0.0008460100000000, 0.0014801600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008116100000000 ] - [ 0.0000000000000000, -0.0016920300000000, 0.0014801600000000 ] - [ 0.0000000000000000, 0.0000003700000000, 0.0003330100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003410000000000 ] - [ 0.0000003200000000, -0.0000001900000000, 0.0003330100000000 ] - [ -0.0000003200000000, -0.0000001900000000, 0.0003330100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000945800000000 ] - [ 0.0000000000000000, 0.0001930400000000, -0.0000867900000000 ] - [ -0.0001671800000000, -0.0000965200000000, -0.0000867900000000 ] - [ 0.0001671800000000, -0.0000965200000000, -0.0000867900000000 ] - [ 0.0126705300000000, 0.0073153300000000, 0.0099190500000000 ] - [ -0.0126705300000000, 0.0073153300000000, 0.0099190500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026367100000000 ] - [ 0.0000000000000000, -0.0146306700000000, 0.0099190500000000 ] - [ 0.0000000000000000, 0.0000973300000000, -0.0006656600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012152300000000 ] - [ 0.0000842900000000, -0.0000486600000000, -0.0006656600000000 ] - [ -0.0000842900000000, -0.0000486600000000, -0.0006656600000000 ] - [ 0.0000000000000000, -0.0000007400000000, -0.0000948500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001166000000000 ] - [ -0.0000006400000000, 0.0000003700000000, -0.0000948500000000 ] - [ 0.0000006400000000, 0.0000003700000000, -0.0000948500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004241400000000 ] - [ 0.0000000000000000, 0.0000036400000000, -0.0004274600000000 ] - [ -0.0000031500000000, -0.0000018200000000, -0.0004274600000000 ] - [ 0.0000031500000000, -0.0000018200000000, -0.0004274600000000 ] - [ 0.0000020600000000, 0.0000011900000000, 0.0003533300000000 ] - [ -0.0000020600000000, 0.0000011900000000, 0.0003533300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003549800000000 ] - [ 0.0000000000000000, -0.0000023800000000, 0.0003533300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002442600000000 ] - [ 0.0000000000000000, -0.0000380300000000, -0.0003245400000000 ] - [ 0.0000329300000000, 0.0000190100000000, -0.0003245400000000 ] - [ -0.0000329300000000, 0.0000190100000000, -0.0003245400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005483400000000 ] - [ 0.0000000000000000, -0.0000488600000000, -0.0006070700000000 ] - [ 0.0000423200000000, 0.0000244300000000, -0.0006070700000000 ] - [ -0.0000423200000000, 0.0000244300000000, -0.0006070700000000 ] - [ 0.0000001500000000, 0.0000000900000000, -0.0002060700000000 ] - [ -0.0000001500000000, 0.0000000900000000, -0.0002060700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002061900000000 ] - [ 0.0000000000000000, -0.0000001800000000, -0.0002060700000000 ] - [ 0.0000000000000000, -0.0000003000000000, -0.0006169600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006161200000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0006169600000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0006169600000000 ] - [ -0.0000032200000000, -0.0000018600000000, -0.0012141400000000 ] - [ 0.0000032200000000, -0.0000018600000000, -0.0012141400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012354800000000 ] - [ 0.0000000000000000, 0.0000037200000000, -0.0012141400000000 ] - [ 0.0010436900000000, 0.0006025700000000, -0.0012633600000000 ] - [ -0.0010436900000000, 0.0006025700000000, -0.0012633600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002944500000000 ] - [ 0.0000000000000000, -0.0012051500000000, -0.0012633600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002736400000000 ] - [ 0.0000000000000000, 0.0000007000000000, -0.0002724600000000 ] - [ -0.0000006000000000, -0.0000003500000000, -0.0002724600000000 ] - [ 0.0000006000000000, -0.0000003500000000, -0.0002724600000000 ] - [ 0.0000000000000000, 0.0000029000000000, 0.0000753500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000798900000000 ] - [ 0.0000025100000000, -0.0000014500000000, 0.0000753500000000 ] - [ -0.0000025100000000, -0.0000014500000000, 0.0000753500000000 ] - [ 0.0000000000000000, -0.0002589500000000, -0.0001131000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007866100000000 ] - [ -0.0002242600000000, 0.0001294800000000, -0.0001131000000000 ] - [ 0.0002242600000000, 0.0001294800000000, -0.0001131000000000 ] - [ 0.0000000000000000, 0.0000015300000000, 0.0001368400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001367700000000 ] - [ 0.0000013300000000, -0.0000007700000000, 0.0001368400000000 ] - [ -0.0000013300000000, -0.0000007700000000, 0.0001368400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0450323000000000 ] - [ 0.0000000000000000, 0.0006439700000000, 0.0025585800000000 ] - [ -0.0005576900000000, -0.0003219800000000, 0.0025585800000000 ] - [ 0.0005576900000000, -0.0003219800000000, 0.0025585800000000 ] - [ 0.0000001700000000, 0.0000001000000000, -0.0001331300000000 ] - [ -0.0000001700000000, 0.0000001000000000, -0.0001331300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001294300000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0001331300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005304800000000 ] - [ 0.0000000000000000, 0.0000035600000000, -0.0005319700000000 ] - [ -0.0000030800000000, -0.0000017800000000, -0.0005319700000000 ] - [ 0.0000030800000000, -0.0000017800000000, -0.0005319700000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008134800000000 ] - [ 0.0000000000000000, -0.0000037800000000, -0.0008158200000000 ] - [ 0.0000032700000000, 0.0000018900000000, -0.0008158200000000 ] - [ -0.0000032700000000, 0.0000018900000000, -0.0008158200000000 ] - [ -0.0000020400000000, -0.0000011800000000, -0.0000684800000000 ] - [ 0.0000020400000000, -0.0000011800000000, -0.0000684800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000675500000000 ] - [ 0.0000000000000000, 0.0000023500000000, -0.0000684800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003910500000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0003873200000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0003873200000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0003873200000000 ] - [ 0.0000000000000000, -0.0000021700000000, 0.0000225100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000218400000000 ] - [ -0.0000018800000000, 0.0000010900000000, 0.0000225100000000 ] - [ 0.0000018800000000, 0.0000010900000000, 0.0000225100000000 ] - [ 0.0000000000000000, -0.0000036100000000, -0.0000125800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000087000000000 ] - [ -0.0000031300000000, 0.0000018000000000, -0.0000125800000000 ] - [ 0.0000031300000000, 0.0000018000000000, -0.0000125800000000 ] - [ 0.0000000000000000, 0.0000885000000000, -0.0003384100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000001500000000 ] - [ 0.0000766400000000, -0.0000442500000000, -0.0003384100000000 ] - [ -0.0000766400000000, -0.0000442500000000, -0.0003384100000000 ] - [ -0.0000030900000000, -0.0000017800000000, -0.0005537100000000 ] - [ 0.0000030900000000, -0.0000017800000000, -0.0005537100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005562800000000 ] - [ 0.0000000000000000, 0.0000035600000000, -0.0005537100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006203500000000 ] - [ 0.0000000000000000, 0.0000089000000000, -0.0006186600000000 ] - [ -0.0000077000000000, -0.0000044500000000, -0.0006186600000000 ] - [ 0.0000077000000000, -0.0000044500000000, -0.0006186600000000 ] - [ -0.0000011800000000, -0.0000006800000000, -0.0000330400000000 ] - [ 0.0000011800000000, -0.0000006800000000, -0.0000330400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000370100000000 ] - [ 0.0000000000000000, 0.0000013600000000, -0.0000330400000000 ] - [ 0.0000000000000000, -0.0000057200000000, -0.0007251000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007274500000000 ] - [ -0.0000049600000000, 0.0000028600000000, -0.0007251000000000 ] - [ 0.0000049600000000, 0.0000028600000000, -0.0007251000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003775900000000 ] - [ 0.0000000000000000, 0.0000132800000000, -0.0004017900000000 ] - [ -0.0000115000000000, -0.0000066400000000, -0.0004017900000000 ] - [ 0.0000115000000000, -0.0000066400000000, -0.0004017900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0763014400000000 ] - [ 0.0000000000000000, 0.0037263100000000, 0.0066753800000000 ] - [ -0.0032270800000000, -0.0018631500000000, 0.0066753800000000 ] - [ 0.0032270800000000, -0.0018631500000000, 0.0066753800000000 ] - [ 0.0060809700000000, 0.0035108500000000, -0.0019917000000000 ] - [ -0.0060809700000000, 0.0035108500000000, -0.0019917000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002110800000000 ] - [ 0.0000000000000000, -0.0070216900000000, -0.0019917000000000 ] - [ -0.0000319300000000, -0.0000184400000000, -0.0009265200000000 ] - [ 0.0000319300000000, -0.0000184400000000, -0.0009265200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009222300000000 ] - [ 0.0000000000000000, 0.0000368700000000, -0.0009265200000000 ] - [ 0.0000000000000000, 0.0006529000000000, -0.0007801200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004482200000000 ] - [ 0.0005654300000000, -0.0003264500000000, -0.0007801200000000 ] - [ -0.0005654300000000, -0.0003264500000000, -0.0007801200000000 ] - [ -0.0014402900000000, -0.0008315500000000, -0.0013499400000000 ] - [ 0.0014402900000000, -0.0008315500000000, -0.0013499400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009249200000000 ] - [ 0.0000000000000000, 0.0016631000000000, -0.0013499400000000 ] - [ 0.0000000000000000, 0.0000021800000000, -0.0005008700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005054900000000 ] - [ 0.0000018900000000, -0.0000010900000000, -0.0005008700000000 ] - [ -0.0000018900000000, -0.0000010900000000, -0.0005008700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008930100000000 ] - [ 0.0000000000000000, -0.0001974600000000, -0.0008958100000000 ] - [ 0.0001710000000000, 0.0000987300000000, -0.0008958100000000 ] - [ -0.0001710000000000, 0.0000987300000000, -0.0008958100000000 ] - [ -0.0126191200000000, -0.0072856500000000, -0.0099181400000000 ] - [ 0.0126191200000000, -0.0072856500000000, -0.0099181400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025693100000000 ] - [ 0.0000000000000000, 0.0145713000000000, -0.0099181400000000 ] - [ 0.0000000000000000, -0.0001218300000000, -0.0000505700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004997500000000 ] - [ -0.0001055000000000, 0.0000609100000000, -0.0000505700000000 ] - [ 0.0001055000000000, 0.0000609100000000, -0.0000505700000000 ] - [ 0.0000000000000000, -0.0000291500000000, 0.0007508600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007568400000000 ] - [ -0.0000252400000000, 0.0000145700000000, 0.0007508600000000 ] - [ 0.0000252400000000, 0.0000145700000000, 0.0007508600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002089800000000 ] - [ 0.0000000000000000, -0.0000440700000000, 0.0002366300000000 ] - [ 0.0000381600000000, 0.0000220300000000, 0.0002366300000000 ] - [ -0.0000381600000000, 0.0000220300000000, 0.0002366300000000 ] - [ -0.0000223500000000, -0.0000129100000000, 0.0011243000000000 ] - [ 0.0000223500000000, -0.0000129100000000, 0.0011243000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011194600000000 ] - [ 0.0000000000000000, 0.0000258100000000, 0.0011243000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005192300000000 ] - [ 0.0000000000000000, 0.0000910400000000, 0.0006017000000000 ] - [ -0.0000788400000000, -0.0000455200000000, 0.0006017000000000 ] - [ 0.0000788400000000, -0.0000455200000000, 0.0006017000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003868800000000 ] - [ 0.0000000000000000, 0.0000779300000000, 0.0004170600000000 ] - [ -0.0000674900000000, -0.0000389700000000, 0.0004170600000000 ] - [ 0.0000674900000000, -0.0000389700000000, 0.0004170600000000 ] - [ 0.0000285900000000, 0.0000165100000000, 0.0006123200000000 ] - [ -0.0000285900000000, 0.0000165100000000, 0.0006123200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005908700000000 ] - [ 0.0000000000000000, -0.0000330200000000, 0.0006123200000000 ] - [ 0.0000000000000000, -0.0000016600000000, 0.0003280700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002878100000000 ] - [ -0.0000014400000000, 0.0000008300000000, 0.0003280700000000 ] - [ 0.0000014400000000, 0.0000008300000000, 0.0003280700000000 ] - [ 0.0000183000000000, 0.0000105600000000, -0.0003093800000000 ] - [ -0.0000183000000000, 0.0000105600000000, -0.0003093800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003468700000000 ] - [ 0.0000000000000000, -0.0000211300000000, -0.0003093800000000 ] - [ -0.0010355100000000, -0.0005978500000000, 0.0002009300000000 ] - [ 0.0010355100000000, -0.0005978500000000, 0.0002009300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013003300000000 ] - [ 0.0000000000000000, 0.0011957100000000, 0.0002009300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006219100000000 ] - [ 0.0000000000000000, -0.0000029600000000, 0.0006231400000000 ] - [ 0.0000025600000000, 0.0000014800000000, 0.0006231400000000 ] - [ -0.0000025600000000, 0.0000014800000000, 0.0006231400000000 ] - [ 0.0000000000000000, -0.0000946900000000, 0.0009751800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008486000000000 ] - [ -0.0000820000000000, 0.0000473400000000, 0.0009751800000000 ] - [ 0.0000820000000000, 0.0000473400000000, 0.0009751800000000 ] - [ 0.0000000000000000, 0.0002313800000000, 0.0003476600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005173400000000 ] - [ 0.0002003800000000, -0.0001156900000000, 0.0003476600000000 ] - [ -0.0002003800000000, -0.0001156900000000, 0.0003476600000000 ] - [ 0.0000000000000000, -0.0000025400000000, 0.0009000600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009022900000000 ] - [ -0.0000022000000000, 0.0000012700000000, 0.0009000600000000 ] - [ 0.0000022000000000, 0.0000012700000000, 0.0009000600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0478270600000000 ] - [ 0.0000000000000000, -0.0006776100000000, -0.0028391700000000 ] - [ 0.0005868200000000, 0.0003388000000000, -0.0028391700000000 ] - [ -0.0005868200000000, 0.0003388000000000, -0.0028391700000000 ] - [ 0.0000021400000000, 0.0000012400000000, 0.0007977200000000 ] - [ -0.0000021400000000, 0.0000012400000000, 0.0007977200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007050500000000 ] - [ 0.0000000000000000, -0.0000024700000000, 0.0007977200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002367300000000 ] - [ 0.0000000000000000, -0.0000945400000000, 0.0003062400000000 ] - [ 0.0000818700000000, 0.0000472700000000, 0.0003062400000000 ] - [ -0.0000818700000000, 0.0000472700000000, 0.0003062400000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000124800000000, 0.0000080500000000, -0.0004085100000000 ] - [ -0.0000167300000000, 0.0000119300000000, -0.0004091700000000 ] - [ -0.0000178900000000, 0.0000093400000000, -0.0004124100000000 ] - [ -0.0000110300000000, 0.0000069000000000, -0.0004096700000000 ] - [ -0.0000145900000000, 0.0000075100000000, 0.0003276300000000 ] - [ -0.0000160200000000, 0.0000081700000000, 0.0003230300000000 ] - [ -0.0000156500000000, 0.0000096500000000, 0.0003244500000000 ] - [ -0.0000145300000000, 0.0000087300000000, 0.0003279800000000 ] - [ 0.0000138300000000, -0.0000070200000000, 0.0000341800000000 ] - [ 0.0000163200000000, -0.0000078100000000, 0.0000342900000000 ] - [ 0.0000159300000000, -0.0000113400000000, 0.0000350900000000 ] - [ 0.0000141800000000, -0.0000100700000000, 0.0000344200000000 ] - [ 0.0000110500000000, -0.0000081300000000, 0.0004639000000000 ] - [ 0.0000195600000000, -0.0000099500000000, 0.0004647300000000 ] - [ 0.0000169900000000, -0.0000107300000000, 0.0004661100000000 ] - [ 0.0000135400000000, -0.0000056100000000, 0.0004674500000000 ] - [ -0.0000190700000000, 0.0000095100000000, 0.0004230200000000 ] - [ -0.0000130900000000, 0.0000101300000000, 0.0004201700000000 ] - [ -0.0000168300000000, 0.0000062500000000, 0.0004211600000000 ] - [ -0.0000155300000000, 0.0000094600000000, 0.0004191200000000 ] - [ -0.0000162300000000, 0.0000430400000000, 0.0003827100000000 ] - [ -0.0000169500000000, -0.0000225800000000, 0.0000291400000000 ] - [ 0.0000400800000000, 0.0000096500000000, 0.0002043100000000 ] - [ -0.0000667600000000, 0.0000090900000000, 0.0002037100000000 ] - [ -0.0000127100000000, 0.0000087700000000, -0.0001612300000000 ] - [ -0.0000166600000000, 0.0000073700000000, -0.0001582400000000 ] - [ -0.0000143600000000, 0.0000113700000000, -0.0001576400000000 ] - [ -0.0000162600000000, 0.0000096700000000, -0.0001594300000000 ] - [ -0.0000165600000000, 0.0000170300000000, -0.0001760300000000 ] - [ -0.0000152600000000, 0.0000003400000000, -0.0001687200000000 ] - [ -0.0000019100000000, 0.0000102500000000, -0.0001747000000000 ] - [ -0.0000305200000000, 0.0000107200000000, -0.0001704500000000 ] - [ 0.0000156000000000, -0.0000077600000000, 0.0003507000000000 ] - [ 0.0000156300000000, -0.0000092300000000, 0.0003511200000000 ] - [ 0.0000172300000000, -0.0000090700000000, 0.0003520600000000 ] - [ 0.0000148800000000, -0.0000093500000000, 0.0003507000000000 ] - [ -0.0000166900000000, 0.0000088400000000, -0.0003425100000000 ] - [ -0.0000131700000000, 0.0000105000000000, -0.0003436500000000 ] - [ -0.0000163000000000, 0.0000053800000000, -0.0003444000000000 ] - [ -0.0000133800000000, 0.0000073900000000, -0.0003449000000000 ] - [ 0.0000152800000000, -0.0000035700000000, 0.0000356600000000 ] - [ 0.0000151400000000, -0.0000145100000000, -0.0000276700000000 ] - [ 0.0000237000000000, -0.0000085900000000, 0.0000034400000000 ] - [ 0.0000058500000000, -0.0000085400000000, 0.0000035100000000 ] - [ -0.0005764800000000, -0.0009029800000000, -0.0056220300000000 ] - [ -0.0005650500000000, 0.0009187900000000, 0.0065360800000000 ] - [ -0.0008269600000000, 0.0000069800000000, 0.0004613200000000 ] - [ 0.0010069400000000, 0.0000076200000000, 0.0004470100000000 ] - [ -0.0715139600000000, 0.0010246400000000, -0.0014434500000000 ] - [ 0.0114024000000000, -0.0000123700000000, -0.0007087300000000 ] - [ -0.0005710400000000, -0.0069213400000000, -0.0038327500000000 ] - [ -0.0005934500000000, 0.0068994600000000, 0.0024078800000000 ] - [ 0.0000592700000000, -0.0000075700000000, -0.0005215700000000 ] - [ -0.0000276900000000, -0.0000076600000000, -0.0005220500000000 ] - [ 0.0000117500000000, 0.0000125700000000, -0.0005345900000000 ] - [ 0.0000116300000000, -0.0000325900000000, -0.0005087800000000 ] - [ -0.0002723500000000, 0.0000791600000000, 0.0012127500000000 ] - [ -0.0002827200000000, -0.0000919200000000, -0.0017486800000000 ] - [ -0.0001295600000000, -0.0000030100000000, -0.0002594700000000 ] - [ 0.0005673500000000, -0.0000113500000000, -0.0002644900000000 ] - [ 0.0003970900000000, 0.0000060500000000, 0.0000599000000000 ] - [ -0.0004345400000000, 0.0000067600000000, 0.0000605900000000 ] - [ 0.0000179300000000, 0.0002720600000000, 0.0007480500000000 ] - [ 0.0000192600000000, -0.0002508700000000, -0.0006214000000000 ] - [ 0.0000164400000000, -0.0000110000000000, -0.0000989800000000 ] - [ 0.0000158700000000, -0.0000080200000000, -0.0000996100000000 ] - [ 0.0000133800000000, -0.0000087700000000, -0.0001003600000000 ] - [ 0.0000186200000000, -0.0000092200000000, -0.0000998100000000 ] - [ 0.0000104900000000, -0.0002339600000000, -0.0005977800000000 ] - [ 0.0000118500000000, 0.0002173300000000, -0.0004509700000000 ] - [ -0.0004859100000000, -0.0000106200000000, -0.0005261800000000 ] - [ 0.0004020500000000, -0.0000096600000000, -0.0005237600000000 ] - [ 0.0006569500000000, -0.0000078200000000, 0.0000181300000000 ] - [ -0.0008677100000000, -0.0000111100000000, 0.0000240600000000 ] - [ 0.0002058500000000, 0.0006206800000000, -0.0015879100000000 ] - [ 0.0001980600000000, -0.0006138600000000, 0.0016280100000000 ] - [ 0.0002725000000000, -0.0001472400000000, 0.0003354800000000 ] - [ 0.0002668600000000, 0.0001630700000000, -0.0011043800000000 ] - [ 0.0000001200000000, -0.0000004200000000, -0.0003865100000000 ] - [ -0.0000956200000000, -0.0000037700000000, -0.0003783900000000 ] - [ 0.0000016200000000, -0.0000077200000000, 0.0003215800000000 ] - [ -0.0000141500000000, 0.0000071300000000, 0.0003281000000000 ] - [ -0.0000194800000000, 0.0000097500000000, 0.0003185400000000 ] - [ 0.0000078600000000, 0.0000013000000000, 0.0003121200000000 ] - [ 0.0000020600000000, -0.0000041900000000, 0.0000057800000000 ] - [ 0.0000086200000000, -0.0000015300000000, 0.0000125400000000 ] - [ 0.0000027100000000, -0.0000058200000000, 0.0000171500000000 ] - [ 0.0000083000000000, -0.0000021200000000, -0.0000016400000000 ] - [ -0.0000005900000000, 0.0000112700000000, 0.0007760500000000 ] - [ -0.0000127700000000, 0.0000129600000000, 0.0007811200000000 ] - [ -0.0000079000000000, -0.0000021600000000, 0.0007821400000000 ] - [ -0.0000045100000000, -0.0000093000000000, 0.0007857800000000 ] - [ -0.0000106100000000, 0.0000522900000000, 0.0001712400000000 ] - [ -0.0000067400000000, -0.0000395800000000, 0.0000532800000000 ] - [ 0.0001233600000000, -0.0000025000000000, 0.0001143200000000 ] - [ -0.0000880000000000, 0.0000000300000000, 0.0001227600000000 ] - [ -0.0000018400000000, 0.0000163300000000, -0.0002469200000000 ] - [ 0.0000151600000000, -0.0000165900000000, -0.0001002700000000 ] - [ 0.0000299800000000, -0.0000118900000000, -0.0001805100000000 ] - [ -0.0000219200000000, -0.0000025700000000, -0.0001753300000000 ] - [ 0.0000040800000000, -0.0000056800000000, 0.0002252000000000 ] - [ 0.0000067000000000, -0.0000037900000000, 0.0002223500000000 ] - [ 0.0000034700000000, -0.0000032800000000, 0.0002259500000000 ] - [ 0.0000075400000000, -0.0000020200000000, 0.0002245900000000 ] - [ 0.0000090500000000, -0.0000018600000000, -0.0002244500000000 ] - [ 0.0000027200000000, -0.0000048800000000, -0.0002226900000000 ] - [ 0.0000079500000000, -0.0000025300000000, -0.0002266100000000 ] - [ 0.0000032100000000, -0.0000067700000000, -0.0002193100000000 ] - [ 0.0000095000000000, -0.0000120800000000, -0.0008022400000000 ] - [ 0.0000007100000000, 0.0000037600000000, -0.0008058700000000 ] - [ -0.0000062300000000, 0.0000013000000000, -0.0008264100000000 ] - [ 0.0000205500000000, -0.0000073900000000, -0.0007884300000000 ] - [ 0.0029378400000000, 0.0000102000000000, -0.0002855400000000 ] - [ -0.0011961800000000, -0.0000004100000000, -0.0004306600000000 ] - [ 0.0000220500000000, 0.0007067900000000, 0.0002550400000000 ] - [ 0.0000138300000000, -0.0006952200000000, -0.0011164300000000 ] - [ -0.0000085300000000, -0.0000004400000000, 0.0001335600000000 ] - [ -0.0000038700000000, 0.0000014700000000, 0.0001351900000000 ] - [ -0.0000075200000000, 0.0000038200000000, 0.0001319200000000 ] - [ -0.0000043600000000, 0.0000065500000000, 0.0001287100000000 ] - [ -0.0000046300000000, 0.0000024600000000, 0.0004955600000000 ] - [ 0.0000151100000000, 0.0000039600000000, 0.0005107600000000 ] - [ 0.0000041600000000, -0.0000172800000000, 0.0005029700000000 ] - [ 0.0000069100000000, -0.0000053400000000, 0.0004914900000000 ] - [ -0.0000077600000000, 0.0000386500000000, -0.0002284600000000 ] - [ -0.0000067500000000, -0.0000455600000000, 0.0007143000000000 ] - [ 0.0000655000000000, -0.0000044600000000, 0.0002357400000000 ] - [ -0.0000342200000000, -0.0000036100000000, 0.0002423200000000 ] - [ -0.0000095700000000, 0.0000007900000000, 0.0005798200000000 ] - [ -0.0000028400000000, 0.0000006200000000, 0.0005739600000000 ] - [ -0.0000054700000000, 0.0000037300000000, 0.0005666200000000 ] - [ -0.0000063700000000, 0.0000074200000000, 0.0005647500000000 ] - [ 0.0289537700000000, 0.0158866000000000, -0.0112653200000000 ] - [ 0.0301889900000000, -0.0167558800000000, 0.0115508100000000 ] - [ -0.0004517700000000, 0.0000058000000000, -0.0001788200000000 ] - [ 0.0013078400000000, -0.0001382600000000, -0.0002214600000000 ] - [ -0.0000107500000000, 0.0000118000000000, 0.0002559600000000 ] - [ -0.0000016800000000, 0.0000153700000000, 0.0002706300000000 ] - [ -0.0000094600000000, -0.0000101700000000, 0.0002712400000000 ] - [ -0.0000036300000000, -0.0000040200000000, 0.0002748400000000 ] - [ 0.0000123100000000, -0.0000054000000000, -0.0000999500000000 ] - [ -0.0000014800000000, 0.0000081400000000, -0.0001065200000000 ] - [ -0.0000065000000000, -0.0000045600000000, -0.0001082200000000 ] - [ 0.0000173700000000, -0.0000126900000000, -0.0001058100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000003400000000, 0.0000002000000000, 0.0000038800000000 ] - [ -0.0000003400000000, 0.0000002000000000, 0.0000038800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000034100000000 ] - [ 0.0000000000000000, -0.0000003900000000, 0.0000038800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007498500000000 ] - [ 0.0000000000000000, 0.0000028200000000, 0.0007459800000000 ] - [ -0.0000024400000000, -0.0000014100000000, 0.0007459800000000 ] - [ 0.0000024400000000, -0.0000014100000000, 0.0007459800000000 ] - [ -0.0000011100000000, -0.0000006400000000, 0.0004403800000000 ] - [ 0.0000011100000000, -0.0000006400000000, 0.0004403800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004424200000000 ] - [ 0.0000000000000000, 0.0000012800000000, 0.0004403800000000 ] - [ -0.0000025600000000, 0.0000014800000000, 0.0008702400000000 ] - [ 0.0000025600000000, 0.0000014800000000, 0.0008702400000000 ] - [ 0.0000000000000000, -0.0000029500000000, 0.0008702400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008703600000000 ] - [ -0.0000024500000000, 0.0000014200000000, 0.0008335600000000 ] - [ 0.0000024500000000, 0.0000014200000000, 0.0008335600000000 ] - [ 0.0000000000000000, -0.0000028300000000, 0.0008335600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008367600000000 ] - [ 0.0000374500000000, -0.0000216200000000, 0.0006368000000000 ] - [ -0.0000374500000000, -0.0000216200000000, 0.0006368000000000 ] - [ 0.0000000000000000, 0.0000432400000000, 0.0006368000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005389800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002509100000000 ] - [ 0.0000000000000000, 0.0000019600000000, 0.0002538600000000 ] - [ -0.0000017000000000, -0.0000009800000000, 0.0002538600000000 ] - [ 0.0000017000000000, -0.0000009800000000, 0.0002538600000000 ] - [ -0.0000316800000000, -0.0000182900000000, 0.0002299900000000 ] - [ 0.0000316800000000, -0.0000182900000000, 0.0002299900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002616200000000 ] - [ 0.0000000000000000, 0.0000365800000000, 0.0002299900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007796300000000 ] - [ 0.0000000000000000, -0.0000012600000000, 0.0007758700000000 ] - [ 0.0000010900000000, 0.0000006300000000, 0.0007758700000000 ] - [ -0.0000010900000000, 0.0000006300000000, 0.0007758700000000 ] - [ -0.0000008200000000, 0.0000004700000000, 0.0000849000000000 ] - [ 0.0000008200000000, 0.0000004700000000, 0.0000849000000000 ] - [ 0.0000000000000000, -0.0000009400000000, 0.0000849000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000862700000000 ] - [ 0.0000004500000000, 0.0000002600000000, 0.0004089500000000 ] - [ -0.0000004500000000, 0.0000002600000000, 0.0004089500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004408400000000 ] - [ 0.0000000000000000, -0.0000005200000000, 0.0004089500000000 ] - [ -0.0018125700000000, -0.0010464900000000, 0.0016816100000000 ] - [ 0.0018125700000000, -0.0010464900000000, 0.0016816100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000995000000000 ] - [ 0.0000000000000000, 0.0020929700000000, 0.0016816100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0747504200000000 ] - [ 0.0000000000000000, 0.0036142100000000, -0.0068748900000000 ] - [ -0.0031300000000000, -0.0018071000000000, -0.0068748900000000 ] - [ 0.0031300000000000, -0.0018071000000000, -0.0068748900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001133500000000 ] - [ 0.0000000000000000, 0.0001870200000000, -0.0000998400000000 ] - [ -0.0001619600000000, -0.0000935100000000, -0.0000998400000000 ] - [ 0.0001619600000000, -0.0000935100000000, -0.0000998400000000 ] - [ 0.0061611600000000, -0.0035571400000000, 0.0011421800000000 ] - [ -0.0061611600000000, -0.0035571400000000, 0.0011421800000000 ] - [ 0.0000000000000000, 0.0071142900000000, 0.0011421800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010977800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013180400000000 ] - [ 0.0000000000000000, -0.0000644800000000, 0.0002806600000000 ] - [ 0.0000558400000000, 0.0000322400000000, 0.0002806600000000 ] - [ -0.0000558400000000, 0.0000322400000000, 0.0002806600000000 ] - [ -0.0000004000000000, 0.0000002300000000, 0.0003303800000000 ] - [ 0.0000004000000000, 0.0000002300000000, 0.0003303800000000 ] - [ 0.0000000000000000, -0.0000004700000000, 0.0003303800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003275700000000 ] - [ 0.0004952600000000, 0.0002859400000000, 0.0000270800000000 ] - [ -0.0004952600000000, 0.0002859400000000, 0.0000270800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003303900000000 ] - [ 0.0000000000000000, -0.0005718800000000, 0.0000270800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009419200000000 ] - [ 0.0000000000000000, 0.0000850900000000, 0.0003934700000000 ] - [ -0.0000736900000000, -0.0000425500000000, 0.0003934700000000 ] - [ 0.0000736900000000, -0.0000425500000000, 0.0003934700000000 ] - [ -0.0010700500000000, 0.0006177900000000, -0.0011189000000000 ] - [ 0.0010700500000000, 0.0006177900000000, -0.0011189000000000 ] - [ 0.0000000000000000, -0.0012355800000000, -0.0011189000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002173500000000 ] - [ -0.0000029500000000, 0.0000017000000000, -0.0000973800000000 ] - [ 0.0000029500000000, 0.0000017000000000, -0.0000973800000000 ] - [ 0.0000000000000000, -0.0000034000000000, -0.0000973800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000916500000000 ] - [ 0.0000086400000000, 0.0000049900000000, -0.0004496500000000 ] - [ -0.0000086400000000, 0.0000049900000000, -0.0004496500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004474600000000 ] - [ 0.0000000000000000, -0.0000099800000000, -0.0004496500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003593000000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0003606300000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0003606300000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0003606300000000 ] - [ -0.0000676100000000, -0.0000390400000000, -0.0001712500000000 ] - [ 0.0000676100000000, -0.0000390400000000, -0.0001712500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007111300000000 ] - [ 0.0000000000000000, 0.0000780700000000, -0.0001712500000000 ] - [ 0.0000037600000000, 0.0000021700000000, -0.0005650500000000 ] - [ -0.0000037600000000, 0.0000021700000000, -0.0005650500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006505100000000 ] - [ 0.0000000000000000, -0.0000043500000000, -0.0005650500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002070200000000 ] - [ 0.0000000000000000, -0.0000005900000000, -0.0002044900000000 ] - [ 0.0000005100000000, 0.0000003000000000, -0.0002044900000000 ] - [ -0.0000005100000000, 0.0000003000000000, -0.0002044900000000 ] - [ 0.0000005700000000, -0.0000003300000000, -0.0006264200000000 ] - [ -0.0000005700000000, -0.0000003300000000, -0.0006264200000000 ] - [ 0.0000000000000000, 0.0000006600000000, -0.0006264200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006235200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011728500000000 ] - [ 0.0000000000000000, -0.0000297800000000, -0.0012457000000000 ] - [ 0.0000257900000000, 0.0000148900000000, -0.0012457000000000 ] - [ -0.0000257900000000, 0.0000148900000000, -0.0012457000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0456352900000000 ] - [ 0.0000000000000000, -0.0000823100000000, 0.0021464300000000 ] - [ 0.0000712800000000, 0.0000411500000000, 0.0021464300000000 ] - [ -0.0000712800000000, 0.0000411500000000, 0.0021464300000000 ] - [ 0.0000008400000000, 0.0000004800000000, -0.0002741700000000 ] - [ -0.0000008400000000, 0.0000004800000000, -0.0002741700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002739500000000 ] - [ 0.0000000000000000, -0.0000009700000000, -0.0002741700000000 ] - [ 0.0000004400000000, -0.0000002600000000, 0.0000786000000000 ] - [ -0.0000004400000000, -0.0000002600000000, 0.0000786000000000 ] - [ 0.0000000000000000, 0.0000005100000000, 0.0000786000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000760300000000 ] - [ 0.0000826600000000, -0.0000477300000000, -0.0002826200000000 ] - [ -0.0000826600000000, -0.0000477300000000, -0.0002826200000000 ] - [ 0.0000000000000000, 0.0000954500000000, -0.0002826200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000624500000000 ] - [ 0.0000005100000000, -0.0000002900000000, 0.0001121300000000 ] - [ -0.0000005100000000, -0.0000002900000000, 0.0001121300000000 ] - [ 0.0000000000000000, 0.0000005900000000, 0.0001121300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001111700000000 ] - [ -0.0129356600000000, -0.0074684000000000, 0.0097246400000000 ] - [ 0.0129356600000000, -0.0074684000000000, 0.0097246400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022810700000000 ] - [ 0.0000000000000000, 0.0149368100000000, 0.0097246400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001405700000000 ] - [ 0.0000000000000000, -0.0000011000000000, -0.0001367900000000 ] - [ 0.0000009500000000, 0.0000005500000000, -0.0001367900000000 ] - [ -0.0000009500000000, 0.0000005500000000, -0.0001367900000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0005297800000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0005297800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005282300000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0005297800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000003700000000, 0.0000002100000000, -0.0008194900000000 ] - [ -0.0000003700000000, 0.0000002100000000, -0.0008194900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008204400000000 ] - [ 0.0000000000000000, -0.0000004300000000, -0.0008194900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000720000000000 ] - [ 0.0000000000000000, -0.0000051100000000, -0.0000635100000000 ] - [ 0.0000044200000000, 0.0000025500000000, -0.0000635100000000 ] - [ -0.0000044200000000, 0.0000025500000000, -0.0000635100000000 ] - [ 0.0000039900000000, 0.0000023000000000, -0.0004229400000000 ] - [ -0.0000039900000000, 0.0000023000000000, -0.0004229400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004267900000000 ] - [ 0.0000000000000000, -0.0000046100000000, -0.0004229400000000 ] - [ 0.0000053400000000, -0.0000030800000000, 0.0000470300000000 ] - [ -0.0000053400000000, -0.0000030800000000, 0.0000470300000000 ] - [ 0.0000000000000000, 0.0000061700000000, 0.0000470300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000501900000000 ] - [ 0.0000035000000000, -0.0000020200000000, -0.0000215400000000 ] - [ -0.0000035000000000, -0.0000020200000000, -0.0000215400000000 ] - [ 0.0000000000000000, 0.0000040400000000, -0.0000215400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000269600000000 ] - [ -0.0000347400000000, 0.0000200600000000, -0.0002344700000000 ] - [ 0.0000347400000000, 0.0000200600000000, -0.0002344700000000 ] - [ 0.0000000000000000, -0.0000401200000000, -0.0002344700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001380300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005722800000000 ] - [ 0.0000000000000000, -0.0000035100000000, -0.0005777100000000 ] - [ 0.0000030400000000, 0.0000017500000000, -0.0005777100000000 ] - [ -0.0000030400000000, 0.0000017500000000, -0.0005777100000000 ] - [ 0.0000300500000000, 0.0000173500000000, -0.0005880600000000 ] - [ -0.0000300500000000, 0.0000173500000000, -0.0005880600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006181100000000 ] - [ 0.0000000000000000, -0.0000347000000000, -0.0005880600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000542200000000 ] - [ 0.0000000000000000, 0.0000041000000000, -0.0000509800000000 ] - [ -0.0000035500000000, -0.0000020500000000, -0.0000509800000000 ] - [ 0.0000035500000000, -0.0000020500000000, -0.0000509800000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0007380000000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0007380000000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0007380000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007401400000000 ] - [ -0.0000014200000000, -0.0000008200000000, -0.0003934200000000 ] - [ 0.0000014200000000, -0.0000008200000000, -0.0003934200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004228900000000 ] - [ 0.0000000000000000, 0.0000016400000000, -0.0003934200000000 ] - [ 0.0017831900000000, 0.0010295200000000, -0.0007553900000000 ] - [ -0.0017831900000000, 0.0010295200000000, -0.0007553900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010170000000000 ] - [ 0.0000000000000000, -0.0020590500000000, -0.0007553900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0760799900000000 ] - [ 0.0000000000000000, -0.0036017100000000, 0.0054308700000000 ] - [ 0.0031191800000000, 0.0018008600000000, 0.0054308700000000 ] - [ -0.0031191800000000, 0.0018008600000000, 0.0054308700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009025400000000 ] - [ 0.0000000000000000, -0.0001832500000000, -0.0009168300000000 ] - [ 0.0001587000000000, 0.0000916200000000, -0.0009168300000000 ] - [ -0.0001587000000000, 0.0000916200000000, -0.0009168300000000 ] - [ -0.0061653100000000, 0.0035595400000000, -0.0017272500000000 ] - [ 0.0061653100000000, 0.0035595400000000, -0.0017272500000000 ] - [ 0.0000000000000000, -0.0071190900000000, -0.0017272500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005333400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011752100000000 ] - [ 0.0000000000000000, 0.0000630600000000, -0.0001504100000000 ] - [ -0.0000546100000000, -0.0000315300000000, -0.0001504100000000 ] - [ 0.0000546100000000, -0.0000315300000000, -0.0001504100000000 ] - [ -0.0000013600000000, 0.0000007900000000, -0.0004887800000000 ] - [ 0.0000013600000000, 0.0000007900000000, -0.0004887800000000 ] - [ 0.0000000000000000, -0.0000015700000000, -0.0004887800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004881600000000 ] - [ -0.0004922800000000, -0.0002842200000000, -0.0010346600000000 ] - [ 0.0004922800000000, -0.0002842200000000, -0.0010346600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006822300000000 ] - [ 0.0000000000000000, 0.0005684400000000, -0.0010346600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010173800000000 ] - [ 0.0000000000000000, -0.0000811300000000, -0.0003158600000000 ] - [ 0.0000702600000000, 0.0000405600000000, -0.0003158600000000 ] - [ -0.0000702600000000, 0.0000405600000000, -0.0003158600000000 ] - [ 0.0010658400000000, -0.0006153600000000, 0.0003778000000000 ] - [ -0.0010658400000000, -0.0006153600000000, 0.0003778000000000 ] - [ 0.0000000000000000, 0.0012307300000000, 0.0003778000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009503100000000 ] - [ 0.0000037200000000, -0.0000021500000000, 0.0007569900000000 ] - [ -0.0000037200000000, -0.0000021500000000, 0.0007569900000000 ] - [ 0.0000000000000000, 0.0000042900000000, 0.0007569900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007514000000000 ] - [ -0.0000055900000000, -0.0000032300000000, 0.0003967100000000 ] - [ 0.0000055900000000, -0.0000032300000000, 0.0003967100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003944300000000 ] - [ 0.0000000000000000, 0.0000064500000000, 0.0003967100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012001400000000 ] - [ 0.0000000000000000, 0.0000016500000000, 0.0011977100000000 ] - [ -0.0000014300000000, -0.0000008300000000, 0.0011977100000000 ] - [ 0.0000014300000000, -0.0000008300000000, 0.0011977100000000 ] - [ 0.0000682200000000, 0.0000393800000000, 0.0004219900000000 ] - [ -0.0000682200000000, 0.0000393800000000, 0.0004219900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009603800000000 ] - [ 0.0000000000000000, -0.0000787700000000, 0.0004219900000000 ] - [ -0.0000040100000000, -0.0000023100000000, 0.0002524100000000 ] - [ 0.0000040100000000, -0.0000023100000000, 0.0002524100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003380100000000 ] - [ 0.0000000000000000, 0.0000046200000000, 0.0002524100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006363200000000 ] - [ 0.0000000000000000, -0.0000002600000000, 0.0006369900000000 ] - [ 0.0000002300000000, 0.0000001300000000, 0.0006369900000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0006369900000000 ] - [ -0.0000008100000000, 0.0000004700000000, 0.0002251300000000 ] - [ 0.0000008100000000, 0.0000004700000000, 0.0002251300000000 ] - [ 0.0000000000000000, -0.0000009400000000, 0.0002251300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002219800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004281400000000 ] - [ 0.0000000000000000, 0.0000300600000000, -0.0003509200000000 ] - [ -0.0000260300000000, -0.0000150300000000, -0.0003509200000000 ] - [ 0.0000260300000000, -0.0000150300000000, -0.0003509200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0491674100000000 ] - [ 0.0000000000000000, 0.0000778500000000, -0.0030760700000000 ] - [ -0.0000674200000000, -0.0000389300000000, -0.0030760700000000 ] - [ 0.0000674200000000, -0.0000389300000000, -0.0030760700000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0005754100000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0005754100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005740900000000 ] - [ 0.0000000000000000, 0.0000001200000000, 0.0005754100000000 ] - [ 0.0000014800000000, -0.0000008600000000, 0.0009283500000000 ] - [ -0.0000014800000000, -0.0000008600000000, 0.0009283500000000 ] - [ 0.0000000000000000, 0.0000017100000000, 0.0009283500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009285000000000 ] - [ -0.0000809200000000, 0.0000467200000000, 0.0006821000000000 ] - [ 0.0000809200000000, 0.0000467200000000, 0.0006821000000000 ] - [ 0.0000000000000000, -0.0000934400000000, 0.0006821000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004679600000000 ] - [ 0.0000005000000000, -0.0000002900000000, 0.0009535800000000 ] - [ -0.0000005000000000, -0.0000002900000000, 0.0009535800000000 ] - [ 0.0000000000000000, 0.0000005700000000, 0.0009535800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009575000000000 ] - [ 0.0128622400000000, 0.0074260100000000, -0.0101434200000000 ] - [ -0.0128622400000000, 0.0074260100000000, -0.0101434200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026084400000000 ] - [ 0.0000000000000000, -0.0148520300000000, -0.0101434200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007244700000000 ] - [ 0.0000000000000000, -0.0000046500000000, 0.0007180100000000 ] - [ 0.0000040300000000, 0.0000023300000000, 0.0007180100000000 ] - [ -0.0000040300000000, 0.0000023300000000, 0.0007180100000000 ] - [ 0.0000002300000000, 0.0000001300000000, 0.0003117900000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0003117900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003117200000000 ] - [ 0.0000000000000000, -0.0000002700000000, 0.0003117900000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000157900000000, 0.0000039100000000, -0.0004071800000000 ] - [ -0.0000123000000000, 0.0000159700000000, -0.0004080500000000 ] - [ -0.0000256500000000, 0.0000073300000000, -0.0004070400000000 ] - [ -0.0000035900000000, 0.0000091800000000, -0.0004076100000000 ] - [ -0.0000174100000000, 0.0000103400000000, 0.0003317500000000 ] - [ -0.0000107500000000, 0.0000129700000000, 0.0003286300000000 ] - [ -0.0000163000000000, 0.0000037000000000, 0.0003287400000000 ] - [ -0.0000115900000000, 0.0000071700000000, 0.0003301000000000 ] - [ 0.0000105400000000, -0.0000078500000000, 0.0000606100000000 ] - [ 0.0000211700000000, -0.0000090300000000, 0.0000583800000000 ] - [ 0.0000166800000000, -0.0000132600000000, 0.0000589200000000 ] - [ 0.0000151500000000, -0.0000069900000000, 0.0000560600000000 ] - [ 0.0000141900000000, -0.0000085800000000, 0.0004231000000000 ] - [ 0.0000170900000000, -0.0000100400000000, 0.0004219300000000 ] - [ 0.0000165500000000, -0.0000087600000000, 0.0004248400000000 ] - [ 0.0000150100000000, -0.0000073600000000, 0.0004213100000000 ] - [ -0.0000203300000000, 0.0001694400000000, 0.0003244800000000 ] - [ -0.0000164500000000, -0.0001467400000000, 0.0005625000000000 ] - [ 0.0002557600000000, 0.0000049700000000, 0.0004457900000000 ] - [ -0.0004194900000000, 0.0000072400000000, 0.0004436300000000 ] - [ -0.0000173600000000, 0.0000056400000000, 0.0001732800000000 ] - [ -0.0000119200000000, 0.0000099200000000, 0.0001751900000000 ] - [ -0.0000183500000000, 0.0000099200000000, 0.0001754800000000 ] - [ -0.0000108300000000, 0.0000133300000000, 0.0001749900000000 ] - [ -0.0000169800000000, 0.0000098300000000, -0.0001591300000000 ] - [ -0.0000118300000000, 0.0000106800000000, -0.0001582900000000 ] - [ -0.0000206300000000, 0.0000030600000000, -0.0001405500000000 ] - [ -0.0000197000000000, 0.0000130800000000, -0.0001742700000000 ] - [ -0.0005703700000000, -0.0009140700000000, 0.0015858000000000 ] - [ -0.0005760100000000, 0.0009195300000000, -0.0019959000000000 ] - [ -0.0008363900000000, 0.0000147100000000, -0.0002039500000000 ] - [ 0.0010151600000000, 0.0000063500000000, -0.0002009300000000 ] - [ 0.0000179500000000, -0.0000039800000000, 0.0003661200000000 ] - [ 0.0000141800000000, -0.0000091300000000, 0.0003698600000000 ] - [ 0.0000206400000000, -0.0000101900000000, 0.0003667400000000 ] - [ 0.0000115500000000, -0.0000124300000000, 0.0003654700000000 ] - [ -0.0000142500000000, 0.0000038200000000, -0.0003393800000000 ] - [ -0.0000145100000000, 0.0000103300000000, -0.0003374300000000 ] - [ -0.0000199700000000, 0.0000094600000000, -0.0003369100000000 ] - [ -0.0000089200000000, 0.0000091800000000, -0.0003346900000000 ] - [ 0.0000173900000000, -0.0000099600000000, -0.0000071400000000 ] - [ 0.0000139900000000, -0.0000071700000000, -0.0000021900000000 ] - [ 0.0000134900000000, -0.0000077700000000, -0.0000025100000000 ] - [ 0.0000180200000000, -0.0000099900000000, -0.0000008900000000 ] - [ -0.0000131500000000, 0.0000007900000000, 0.0004795000000000 ] - [ -0.0000141000000000, 0.0000133400000000, 0.0004254700000000 ] - [ -0.0000256300000000, 0.0000093600000000, 0.0004505400000000 ] - [ -0.0000029100000000, 0.0000089500000000, 0.0004509700000000 ] - [ 0.0000575400000000, -0.0000061300000000, -0.0007484000000000 ] - [ -0.0000260900000000, -0.0000055900000000, -0.0007461900000000 ] - [ 0.0000107600000000, 0.0000107500000000, -0.0009130800000000 ] - [ 0.0000120100000000, -0.0000324100000000, -0.0005918100000000 ] - [ -0.0715996400000000, 0.0010145200000000, -0.0011142200000000 ] - [ 0.0113111000000000, -0.0000102800000000, -0.0005280600000000 ] - [ -0.0005561600000000, -0.0068549400000000, -0.0037621200000000 ] - [ -0.0005639200000000, 0.0068346400000000, 0.0026915200000000 ] - [ 0.0000177700000000, 0.0002191100000000, -0.0007222700000000 ] - [ 0.0000064200000000, -0.0002268500000000, 0.0002661100000000 ] - [ 0.0003985500000000, -0.0000107900000000, -0.0002297700000000 ] - [ -0.0004807000000000, -0.0000176800000000, -0.0002311200000000 ] - [ -0.0000205600000000, 0.0000090100000000, 0.0001041900000000 ] - [ -0.0000098600000000, 0.0000073400000000, 0.0001061000000000 ] - [ -0.0000135800000000, 0.0000058400000000, 0.0001044500000000 ] - [ -0.0000165400000000, 0.0000116600000000, 0.0001032100000000 ] - [ 0.0000203600000000, -0.0000052000000000, -0.0000949900000000 ] - [ 0.0000132100000000, -0.0000062600000000, -0.0000963400000000 ] - [ 0.0000176600000000, -0.0000109100000000, -0.0000953100000000 ] - [ 0.0000158700000000, -0.0000148800000000, -0.0000938000000000 ] - [ -0.0002767400000000, -0.0001007300000000, -0.0066467500000000 ] - [ -0.0002743700000000, 0.0000773900000000, 0.0056429000000000 ] - [ 0.0005670200000000, -0.0000046200000000, -0.0005014800000000 ] - [ -0.0001216100000000, -0.0000084700000000, -0.0005063100000000 ] - [ -0.0000034800000000, -0.0000034200000000, 0.0000559700000000 ] - [ 0.0000151400000000, 0.0000007100000000, 0.0000500300000000 ] - [ 0.0000012000000000, -0.0000118400000000, 0.0000493700000000 ] - [ 0.0000083300000000, -0.0000009700000000, 0.0000515000000000 ] - [ -0.0000202000000000, 0.0004007700000000, 0.0005734000000000 ] - [ -0.0000035700000000, -0.0004068200000000, -0.0012652800000000 ] - [ 0.0006885400000000, 0.0000040300000000, -0.0003441900000000 ] - [ -0.0015497600000000, 0.0000126000000000, -0.0003430900000000 ] - [ -0.0000102000000000, 0.0000037000000000, 0.0003469200000000 ] - [ -0.0000004600000000, 0.0000007300000000, 0.0003443200000000 ] - [ -0.0000023200000000, 0.0000005400000000, 0.0003456200000000 ] - [ -0.0000083700000000, 0.0000052000000000, 0.0003527600000000 ] - [ 0.0003563100000000, 0.0003453400000000, 0.0004571900000000 ] - [ 0.0003416200000000, -0.0003335500000000, -0.0006743600000000 ] - [ 0.0002037000000000, -0.0000082900000000, -0.0001090900000000 ] - [ -0.0002400600000000, -0.0000158300000000, -0.0001118800000000 ] - [ -0.0000092100000000, -0.0000047200000000, 0.0008409800000000 ] - [ -0.0000018500000000, -0.0000046900000000, 0.0008252900000000 ] - [ -0.0000056200000000, 0.0000096700000000, 0.0008293100000000 ] - [ -0.0000062800000000, 0.0000133600000000, 0.0008278900000000 ] - [ 0.0289714500000000, 0.0157315500000000, -0.0109324900000000 ] - [ 0.0302126200000000, -0.0165964900000000, 0.0118856300000000 ] - [ -0.0004483700000000, 0.0000029400000000, 0.0001678700000000 ] - [ 0.0016009400000000, -0.0001318600000000, 0.0001092400000000 ] - [ 0.0000091300000000, -0.0000020500000000, -0.0001433400000000 ] - [ 0.0000025800000000, -0.0000058500000000, -0.0001489400000000 ] - [ 0.0000090200000000, -0.0000020300000000, -0.0001452300000000 ] - [ 0.0000026100000000, -0.0000045400000000, -0.0001458900000000 ] - [ 0.0000094100000000, -0.0000131000000000, 0.0002417200000000 ] - [ 0.0000020700000000, 0.0000053000000000, 0.0002248100000000 ] - [ -0.0000067300000000, 0.0000006600000000, 0.0002434500000000 ] - [ 0.0000237500000000, -0.0000068000000000, 0.0002237500000000 ] - [ 0.0000127200000000, -0.0000284400000000, -0.0002022200000000 ] - [ -0.0000040100000000, 0.0000263000000000, -0.0002113100000000 ] - [ -0.0000420500000000, -0.0000017600000000, -0.0002141900000000 ] - [ 0.0001157500000000, -0.0000109500000000, -0.0002125400000000 ] - [ 0.0036756800000000, 0.0000218000000000, -0.0006768600000000 ] - [ -0.0010525800000000, -0.0000021000000000, -0.0008036400000000 ] - [ 0.0000217600000000, 0.0006117100000000, -0.0000722100000000 ] - [ 0.0000151000000000, -0.0006226600000000, -0.0015349300000000 ] - [ 0.0000344500000000, -0.0000097000000000, -0.0005374200000000 ] - [ -0.0000445200000000, 0.0000068400000000, -0.0005386000000000 ] - [ -0.0000501800000000, 0.0000130600000000, -0.0000850800000000 ] - [ -0.0000210900000000, 0.0000028300000000, -0.0009846500000000 ] - [ 0.0000091700000000, 0.0000092400000000, 0.0001507300000000 ] - [ -0.0000197600000000, 0.0000026000000000, 0.0001455000000000 ] - [ -0.0000003100000000, 0.0000083300000000, 0.0001580600000000 ] - [ -0.0000111800000000, -0.0000086500000000, 0.0001573400000000 ] - [ 0.0000108200000000, -0.0000066600000000, 0.0005360400000000 ] - [ 0.0000009700000000, -0.0000070100000000, 0.0005221500000000 ] - [ 0.0000059000000000, 0.0000014900000000, 0.0005265200000000 ] - [ 0.0000050200000000, -0.0000045300000000, 0.0005334700000000 ] - [ 0.0000067800000000, 0.0000011800000000, 0.0001562000000000 ] - [ 0.0000061300000000, -0.0000073300000000, 0.0001575500000000 ] - [ 0.0000140400000000, -0.0000031300000000, 0.0001572600000000 ] - [ -0.0000013400000000, -0.0000041400000000, 0.0001617600000000 ] - [ 0.0000021800000000, 0.0000050800000000, 0.0004401500000000 ] - [ -0.0000121100000000, 0.0000136800000000, 0.0004446700000000 ] - [ -0.0000131800000000, 0.0000004100000000, 0.0004400100000000 ] - [ 0.0000021600000000, -0.0000074500000000, 0.0004467400000000 ] - [ -0.0000079800000000, -0.0000127300000000, -0.0002154200000000 ] - [ -0.0000037000000000, 0.0000154000000000, -0.0001028300000000 ] - [ -0.0000368300000000, 0.0000028000000000, -0.0001571100000000 ] - [ 0.0000196200000000, 0.0000061400000000, -0.0001525800000000 ] - [ -0.0000048500000000, 0.0000049600000000, 0.0003058200000000 ] - [ -0.0000076300000000, 0.0000027200000000, 0.0003066700000000 ] - [ -0.0000039200000000, 0.0000044700000000, 0.0003039800000000 ] - [ -0.0000068400000000, 0.0000006800000000, 0.0003030600000000 ] - [ -0.0000031700000000, 0.0000019800000000, -0.0000771000000000 ] - [ 0.0000149500000000, -0.0000185600000000, -0.0000715200000000 ] - [ 0.0000247900000000, -0.0000036300000000, -0.0000588600000000 ] - [ -0.0000122900000000, 0.0000067600000000, -0.0000804400000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000259600000000, -0.0000149900000000, 0.0000093500000000 ] - [ 0.0000259600000000, -0.0000149900000000, 0.0000093500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000011700000000 ] - [ 0.0000000000000000, 0.0000299800000000, 0.0000093500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007570900000000 ] - [ 0.0000000000000000, 0.0000016300000000, 0.0007509400000000 ] - [ -0.0000014100000000, -0.0000008100000000, 0.0007509400000000 ] - [ 0.0000014100000000, -0.0000008100000000, 0.0007509400000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0004292600000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0004292600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004304300000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0004292600000000 ] - [ -0.0000003900000000, 0.0000002200000000, 0.0008670800000000 ] - [ 0.0000003900000000, 0.0000002200000000, 0.0008670800000000 ] - [ 0.0000000000000000, -0.0000004500000000, 0.0008670800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008675100000000 ] - [ 0.0005648600000000, -0.0003261200000000, 0.0009295600000000 ] - [ -0.0005648600000000, -0.0003261200000000, 0.0009295600000000 ] - [ 0.0000000000000000, 0.0006522400000000, 0.0009295600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006020700000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0006142800000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0006142800000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0006142800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006139500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002412100000000 ] - [ 0.0000000000000000, -0.0001937200000000, 0.0002589700000000 ] - [ 0.0001677700000000, 0.0000968600000000, 0.0002589700000000 ] - [ -0.0001677700000000, 0.0000968600000000, 0.0002589700000000 ] - [ 0.0060770100000000, 0.0035085600000000, 0.0010227500000000 ] - [ -0.0060770100000000, 0.0035085600000000, 0.0010227500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007377500000000 ] - [ 0.0000000000000000, -0.0070171300000000, 0.0010227500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007789200000000 ] - [ 0.0000000000000000, -0.0000005200000000, 0.0007781100000000 ] - [ 0.0000004500000000, 0.0000002600000000, 0.0007781100000000 ] - [ -0.0000004500000000, 0.0000002600000000, 0.0007781100000000 ] - [ -0.0000069200000000, 0.0000040000000000, 0.0000871100000000 ] - [ 0.0000069200000000, 0.0000040000000000, 0.0000871100000000 ] - [ 0.0000000000000000, -0.0000079900000000, 0.0000871100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000862300000000 ] - [ -0.0000004900000000, -0.0000002900000000, 0.0004199700000000 ] - [ 0.0000004900000000, -0.0000002900000000, 0.0004199700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004203000000000 ] - [ 0.0000000000000000, 0.0000005700000000, 0.0004199700000000 ] - [ -0.0000015000000000, -0.0000008600000000, 0.0008766900000000 ] - [ 0.0000015000000000, -0.0000008600000000, 0.0008766900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008699100000000 ] - [ 0.0000000000000000, 0.0000017300000000, 0.0008766900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003187500000000 ] - [ 0.0000000000000000, 0.0000153500000000, -0.0003058900000000 ] - [ -0.0000132900000000, -0.0000076800000000, -0.0003058900000000 ] - [ 0.0000132900000000, -0.0000076800000000, -0.0003058900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0738260800000000 ] - [ 0.0000000000000000, 0.0037397600000000, -0.0067185900000000 ] - [ -0.0032387200000000, -0.0018698800000000, -0.0067185900000000 ] - [ 0.0032387200000000, -0.0018698800000000, -0.0067185900000000 ] - [ 0.0000764600000000, -0.0000441400000000, 0.0002635000000000 ] - [ -0.0000764600000000, -0.0000441400000000, 0.0002635000000000 ] - [ 0.0000000000000000, 0.0000882800000000, 0.0002635000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000881000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004878500000000 ] - [ 0.0000000000000000, -0.0000009000000000, 0.0004812900000000 ] - [ 0.0000007800000000, 0.0000004500000000, 0.0004812900000000 ] - [ -0.0000007800000000, 0.0000004500000000, 0.0004812900000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0003340800000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0003340800000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0003340800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003341900000000 ] - [ -0.0014648800000000, -0.0008457500000000, 0.0009194200000000 ] - [ 0.0014648800000000, -0.0008457500000000, 0.0009194200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013741400000000 ] - [ 0.0000000000000000, 0.0016915000000000, 0.0009194200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003821400000000 ] - [ 0.0000000000000000, 0.0000009400000000, -0.0003797900000000 ] - [ -0.0000008200000000, -0.0000004700000000, -0.0003797900000000 ] - [ 0.0000008200000000, -0.0000004700000000, -0.0003797900000000 ] - [ 0.0002260100000000, -0.0001304900000000, -0.0006950800000000 ] - [ -0.0002260100000000, -0.0001304900000000, -0.0006950800000000 ] - [ 0.0000000000000000, 0.0002609700000000, -0.0006950800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002035400000000 ] - [ -0.0000005500000000, 0.0000003200000000, -0.0000919300000000 ] - [ 0.0000005500000000, 0.0000003200000000, -0.0000919300000000 ] - [ 0.0000000000000000, -0.0000006300000000, -0.0000919300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000930300000000 ] - [ -0.0010430700000000, -0.0006022200000000, -0.0008216600000000 ] - [ 0.0010430700000000, -0.0006022200000000, -0.0008216600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007377500000000 ] - [ 0.0000000000000000, 0.0012044300000000, -0.0008216600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003531200000000 ] - [ 0.0000000000000000, 0.0000003600000000, 0.0003557300000000 ] - [ -0.0000003100000000, -0.0000001800000000, 0.0003557300000000 ] - [ 0.0000003100000000, -0.0000001800000000, 0.0003557300000000 ] - [ -0.0126640100000000, -0.0073115700000000, 0.0100211500000000 ] - [ 0.0126640100000000, -0.0073115700000000, 0.0100211500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027341100000000 ] - [ 0.0000000000000000, 0.0146231400000000, 0.0100211500000000 ] - [ 0.0000006900000000, 0.0000004000000000, -0.0005677500000000 ] - [ -0.0000006900000000, 0.0000004000000000, -0.0005677500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005681900000000 ] - [ 0.0000000000000000, -0.0000008000000000, -0.0005677500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001389200000000 ] - [ 0.0000000000000000, 0.0000379600000000, -0.0002205200000000 ] - [ -0.0000328700000000, -0.0000189800000000, -0.0002205200000000 ] - [ 0.0000328700000000, -0.0000189800000000, -0.0002205200000000 ] - [ -0.0000836000000000, 0.0000482600000000, -0.0004730200000000 ] - [ 0.0000836000000000, 0.0000482600000000, -0.0004730200000000 ] - [ 0.0000000000000000, -0.0000965300000000, -0.0004730200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010222900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0442150900000000 ] - [ 0.0000000000000000, -0.0006426600000000, 0.0019309300000000 ] - [ 0.0005565600000000, 0.0003213300000000, 0.0019309300000000 ] - [ -0.0005565600000000, 0.0003213300000000, 0.0019309300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008331500000000 ] - [ 0.0000000000000000, 0.0000490300000000, -0.0008941400000000 ] - [ -0.0000424600000000, -0.0000245100000000, -0.0008941400000000 ] - [ 0.0000424600000000, -0.0000245100000000, -0.0008941400000000 ] - [ -0.0000007100000000, -0.0000004100000000, -0.0002598700000000 ] - [ 0.0000007100000000, -0.0000004100000000, -0.0002598700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002583800000000 ] - [ 0.0000000000000000, 0.0000008200000000, -0.0002598700000000 ] - [ 0.0000026700000000, -0.0000015400000000, 0.0000833800000000 ] - [ -0.0000026700000000, -0.0000015400000000, 0.0000833800000000 ] - [ 0.0000000000000000, 0.0000030800000000, 0.0000833800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000880200000000 ] - [ 0.0000015500000000, -0.0000008900000000, -0.0002116900000000 ] - [ -0.0000015500000000, -0.0000008900000000, -0.0002116900000000 ] - [ 0.0000000000000000, 0.0000017800000000, -0.0002116900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002119100000000 ] - [ -0.0000016300000000, 0.0000009400000000, 0.0001426800000000 ] - [ 0.0000016300000000, 0.0000009400000000, 0.0001426800000000 ] - [ 0.0000000000000000, -0.0000018800000000, 0.0001426800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001463600000000 ] - [ -0.0000065900000000, -0.0000038100000000, -0.0005861600000000 ] - [ 0.0000065900000000, -0.0000038100000000, -0.0005861600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005603600000000 ] - [ 0.0000000000000000, 0.0000076100000000, -0.0005861600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001253000000000 ] - [ 0.0000000000000000, -0.0000030800000000, -0.0001254300000000 ] - [ 0.0000026700000000, 0.0000015400000000, -0.0001254300000000 ] - [ -0.0000026700000000, 0.0000015400000000, -0.0001254300000000 ] - [ 0.0000055800000000, 0.0000032200000000, -0.0005205000000000 ] - [ -0.0000055800000000, 0.0000032200000000, -0.0005205000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005430200000000 ] - [ 0.0000000000000000, -0.0000064400000000, -0.0005205000000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000262600000000, 0.0000151600000000, -0.0008264800000000 ] - [ -0.0000262600000000, 0.0000151600000000, -0.0008264800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008187400000000 ] - [ 0.0000000000000000, -0.0000303200000000, -0.0008264800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000806000000000 ] - [ 0.0000000000000000, -0.0000012800000000, -0.0000768600000000 ] - [ 0.0000011100000000, 0.0000006400000000, -0.0000768600000000 ] - [ -0.0000011100000000, 0.0000006400000000, -0.0000768600000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0004037100000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0004037100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004036600000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0004037100000000 ] - [ -0.0000004500000000, 0.0000002600000000, 0.0000313900000000 ] - [ 0.0000004500000000, 0.0000002600000000, 0.0000313900000000 ] - [ 0.0000000000000000, -0.0000005200000000, 0.0000313900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000318100000000 ] - [ -0.0005625200000000, 0.0003247700000000, -0.0001213000000000 ] - [ 0.0005625200000000, 0.0003247700000000, -0.0001213000000000 ] - [ 0.0000000000000000, -0.0006495400000000, -0.0001213000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002040800000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0002267100000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0002267100000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0002267100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002265300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005688600000000 ] - [ 0.0000000000000000, 0.0001928100000000, -0.0005812200000000 ] - [ -0.0001669800000000, -0.0000964100000000, -0.0005812200000000 ] - [ 0.0001669800000000, -0.0000964100000000, -0.0005812200000000 ] - [ -0.0060819600000000, -0.0035114200000000, -0.0014289000000000 ] - [ 0.0060819600000000, -0.0035114200000000, -0.0014289000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003573100000000 ] - [ 0.0000000000000000, 0.0070228400000000, -0.0014289000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000516800000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0000526600000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0000526600000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0000526600000000 ] - [ 0.0000065600000000, -0.0000037900000000, -0.0007427700000000 ] - [ -0.0000065600000000, -0.0000037900000000, -0.0007427700000000 ] - [ 0.0000000000000000, 0.0000075700000000, -0.0007427700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007424400000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0004057100000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0004057100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004059400000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0004057100000000 ] - [ 0.0000016900000000, 0.0000009800000000, 0.0000438500000000 ] - [ -0.0000016900000000, 0.0000009800000000, 0.0000438500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000512700000000 ] - [ 0.0000000000000000, -0.0000019500000000, 0.0000438500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011426100000000 ] - [ 0.0000000000000000, -0.0000158600000000, -0.0011574300000000 ] - [ 0.0000137400000000, 0.0000079300000000, -0.0011574300000000 ] - [ -0.0000137400000000, 0.0000079300000000, -0.0011574300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0759538100000000 ] - [ 0.0000000000000000, -0.0037251600000000, 0.0057009900000000 ] - [ 0.0032260800000000, 0.0018625800000000, 0.0057009900000000 ] - [ -0.0032260800000000, 0.0018625800000000, 0.0057009900000000 ] - [ -0.0000763200000000, 0.0000440600000000, -0.0008079300000000 ] - [ 0.0000763200000000, 0.0000440600000000, -0.0008079300000000 ] - [ 0.0000000000000000, -0.0000881300000000, -0.0008079300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004627900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003566000000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0003530600000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0003530600000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0003530600000000 ] - [ 0.0000000800000000, -0.0000000500000000, -0.0004954200000000 ] - [ -0.0000000800000000, -0.0000000500000000, -0.0004954200000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0004954200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004955000000000 ] - [ 0.0014418100000000, 0.0008324300000000, -0.0019145900000000 ] - [ -0.0014418100000000, 0.0008324300000000, -0.0019145900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003616100000000 ] - [ 0.0000000000000000, -0.0016648500000000, -0.0019145900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004472300000000 ] - [ 0.0000000000000000, -0.0000003900000000, 0.0004459100000000 ] - [ 0.0000003400000000, 0.0000001900000000, 0.0004459100000000 ] - [ -0.0000003400000000, 0.0000001900000000, 0.0004459100000000 ] - [ -0.0002265200000000, 0.0001307800000000, -0.0000551100000000 ] - [ 0.0002265200000000, 0.0001307800000000, -0.0000551100000000 ] - [ 0.0000000000000000, -0.0002615700000000, -0.0000551100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009417600000000 ] - [ 0.0000002900000000, -0.0000001700000000, 0.0007387700000000 ] - [ -0.0000002900000000, -0.0000001700000000, 0.0007387700000000 ] - [ 0.0000000000000000, 0.0000003300000000, 0.0007387700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007393000000000 ] - [ 0.0010365500000000, 0.0005984500000000, 0.0007796400000000 ] - [ -0.0010365500000000, 0.0005984500000000, 0.0007796400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007686800000000 ] - [ 0.0000000000000000, -0.0011969000000000, 0.0007796400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011878500000000 ] - [ 0.0000000000000000, -0.0000005600000000, 0.0011856700000000 ] - [ 0.0000004900000000, 0.0000002800000000, 0.0011856700000000 ] - [ -0.0000004900000000, 0.0000002800000000, 0.0011856700000000 ] - [ 0.0126007900000000, 0.0072750700000000, -0.0098695500000000 ] - [ -0.0126007900000000, 0.0072750700000000, -0.0098695500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024940800000000 ] - [ 0.0000000000000000, -0.0145501400000000, -0.0098695500000000 ] - [ -0.0000002500000000, -0.0000001500000000, 0.0002561900000000 ] - [ 0.0000002500000000, -0.0000001500000000, 0.0002561900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002563800000000 ] - [ 0.0000000000000000, 0.0000002900000000, 0.0002561900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005628100000000 ] - [ 0.0000000000000000, -0.0000379600000000, 0.0006447300000000 ] - [ 0.0000328800000000, 0.0000189800000000, 0.0006447300000000 ] - [ -0.0000328800000000, 0.0000189800000000, 0.0006447300000000 ] - [ 0.0000825600000000, -0.0000476600000000, 0.0000766300000000 ] - [ -0.0000825600000000, -0.0000476600000000, 0.0000766300000000 ] - [ 0.0000000000000000, 0.0000953300000000, 0.0000766300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006242200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0483706700000000 ] - [ 0.0000000000000000, 0.0006409200000000, -0.0035212200000000 ] - [ -0.0005550500000000, -0.0003204600000000, -0.0035212200000000 ] - [ 0.0005550500000000, -0.0003204600000000, -0.0035212200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000896100000000 ] - [ 0.0000000000000000, -0.0000475800000000, -0.0000257500000000 ] - [ 0.0000412100000000, 0.0000237900000000, -0.0000257500000000 ] - [ -0.0000412100000000, 0.0000237900000000, -0.0000257500000000 ] - [ -0.0000001800000000, -0.0000001100000000, 0.0005555100000000 ] - [ 0.0000001800000000, -0.0000001100000000, 0.0005555100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005560400000000 ] - [ 0.0000000000000000, 0.0000002100000000, 0.0005555100000000 ] - [ -0.0000022800000000, 0.0000013100000000, 0.0009136900000000 ] - [ 0.0000022800000000, 0.0000013100000000, 0.0009136900000000 ] - [ 0.0000000000000000, -0.0000026300000000, 0.0009136900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009086800000000 ] - [ -0.0000009500000000, 0.0000005500000000, 0.0006139700000000 ] - [ 0.0000009500000000, 0.0000005500000000, 0.0006139700000000 ] - [ 0.0000000000000000, -0.0000010900000000, 0.0006139700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006133800000000 ] - [ -0.0000001400000000, 0.0000000800000000, 0.0009500000000000 ] - [ 0.0000001400000000, 0.0000000800000000, 0.0009500000000000 ] - [ 0.0000000000000000, -0.0000001700000000, 0.0009500000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009481600000000 ] - [ 0.0000052100000000, 0.0000030100000000, 0.0002562600000000 ] - [ -0.0000052100000000, 0.0000030100000000, 0.0002562600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002316400000000 ] - [ 0.0000000000000000, -0.0000060200000000, 0.0002562600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007039300000000 ] - [ 0.0000000000000000, 0.0000018300000000, 0.0007041000000000 ] - [ -0.0000015800000000, -0.0000009100000000, 0.0007041000000000 ] - [ 0.0000015800000000, -0.0000009100000000, 0.0007041000000000 ] - [ -0.0000042500000000, -0.0000024600000000, 0.0002918800000000 ] - [ 0.0000042500000000, -0.0000024600000000, 0.0002918800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003128800000000 ] - [ 0.0000000000000000, 0.0000049100000000, 0.0002918800000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000141500000000, 0.0000091100000000, -0.0004148000000000 ] - [ -0.0000131700000000, 0.0000096200000000, -0.0004148400000000 ] - [ -0.0000142300000000, 0.0000085700000000, -0.0004145000000000 ] - [ -0.0000133600000000, 0.0000090300000000, -0.0004156900000000 ] - [ -0.0000138500000000, 0.0000086400000000, 0.0003376400000000 ] - [ -0.0000138800000000, 0.0000089100000000, 0.0003364200000000 ] - [ -0.0000140100000000, 0.0000084300000000, 0.0003364800000000 ] - [ -0.0000134800000000, 0.0000083000000000, 0.0003373400000000 ] - [ 0.0000145700000000, -0.0000096800000000, 0.0000271300000000 ] - [ 0.0000179100000000, -0.0000095500000000, 0.0000265600000000 ] - [ 0.0000160400000000, -0.0000097200000000, 0.0000257500000000 ] - [ 0.0000162300000000, -0.0000079000000000, 0.0000266000000000 ] - [ 0.0000148200000000, -0.0000088700000000, 0.0004583700000000 ] - [ 0.0000167700000000, -0.0000093900000000, 0.0004573100000000 ] - [ 0.0000164400000000, -0.0000087200000000, 0.0004573800000000 ] - [ 0.0000151800000000, -0.0000076300000000, 0.0004558700000000 ] - [ -0.0000175200000000, 0.0000085400000000, 0.0004185300000000 ] - [ -0.0000125900000000, 0.0000091200000000, 0.0004179700000000 ] - [ -0.0000161600000000, 0.0000072400000000, 0.0004225700000000 ] - [ -0.0000146900000000, 0.0000105900000000, 0.0004144000000000 ] - [ -0.0000166100000000, 0.0000093800000000, 0.0001964400000000 ] - [ -0.0000115200000000, 0.0000095200000000, 0.0001963400000000 ] - [ -0.0000145300000000, 0.0000084700000000, 0.0002090300000000 ] - [ -0.0000141700000000, 0.0000116100000000, 0.0001834900000000 ] - [ -0.0000141400000000, 0.0000102500000000, -0.0001610300000000 ] - [ -0.0000149600000000, 0.0000081400000000, -0.0001597900000000 ] - [ -0.0000127700000000, 0.0000094500000000, -0.0001601300000000 ] - [ -0.0000166900000000, 0.0000089700000000, -0.0001595500000000 ] - [ 0.0000412800000000, 0.0000072300000000, -0.0001788400000000 ] - [ -0.0000678700000000, 0.0000106200000000, -0.0001796300000000 ] - [ -0.0000192300000000, 0.0000436400000000, -0.0002171600000000 ] - [ -0.0000138500000000, -0.0000231800000000, -0.0001408600000000 ] - [ 0.0000173000000000, -0.0000082400000000, 0.0003586300000000 ] - [ 0.0000161200000000, -0.0000092000000000, 0.0003581500000000 ] - [ 0.0000175500000000, -0.0000088300000000, 0.0003582200000000 ] - [ 0.0000158700000000, -0.0000095400000000, 0.0003577400000000 ] - [ -0.0000137900000000, 0.0000076200000000, -0.0003347200000000 ] - [ -0.0000150100000000, 0.0000084900000000, -0.0003348100000000 ] - [ -0.0000148600000000, 0.0000086500000000, -0.0003350300000000 ] - [ -0.0000135300000000, 0.0000076300000000, -0.0003337500000000 ] - [ 0.0000175500000000, -0.0000086500000000, 0.0000109900000000 ] - [ 0.0000144300000000, -0.0000087200000000, 0.0000118700000000 ] - [ 0.0000161400000000, -0.0000081200000000, 0.0000119900000000 ] - [ 0.0000160800000000, -0.0000096700000000, 0.0000116700000000 ] - [ 0.0002665600000000, 0.0000079600000000, 0.0004624100000000 ] - [ -0.0004260400000000, 0.0000075100000000, 0.0004591700000000 ] - [ -0.0000162500000000, 0.0001715500000000, -0.0001011700000000 ] - [ -0.0000162100000000, -0.0001550300000000, 0.0010247100000000 ] - [ -0.0002717200000000, 0.0000789500000000, 0.0054411600000000 ] - [ -0.0002826700000000, -0.0000933500000000, -0.0068880300000000 ] - [ -0.0001278700000000, -0.0000079600000000, -0.0007315500000000 ] - [ 0.0005661900000000, -0.0000093600000000, -0.0007223200000000 ] - [ 0.0000114700000000, 0.0002156500000000, -0.0004358600000000 ] - [ 0.0000133900000000, -0.0002340700000000, -0.0005891200000000 ] - [ 0.0004018800000000, -0.0000092300000000, -0.0005115100000000 ] - [ -0.0004831100000000, -0.0000080800000000, -0.0005142700000000 ] - [ -0.0719119200000000, 0.0010297900000000, -0.0011117900000000 ] - [ 0.0113657800000000, -0.0000103100000000, -0.0002625000000000 ] - [ -0.0005697400000000, -0.0068992200000000, -0.0034421700000000 ] - [ -0.0005853400000000, 0.0068740400000000, 0.0029055800000000 ] - [ -0.0000176500000000, 0.0000389800000000, 0.0000390900000000 ] - [ -0.0000169800000000, -0.0000222000000000, 0.0000938400000000 ] - [ 0.0000356800000000, 0.0000081700000000, 0.0000661300000000 ] - [ -0.0000637100000000, 0.0000085600000000, 0.0000666100000000 ] - [ 0.0000166300000000, -0.0000088800000000, -0.0000908800000000 ] - [ 0.0000176100000000, -0.0000089700000000, -0.0000904400000000 ] - [ 0.0000174200000000, -0.0000099300000000, -0.0000909600000000 ] - [ 0.0000172000000000, -0.0000096400000000, -0.0000893500000000 ] - [ -0.0001310100000000, -0.0000067900000000, -0.0005052400000000 ] - [ 0.0005727600000000, -0.0000124400000000, -0.0005073700000000 ] - [ -0.0002737500000000, 0.0000788200000000, 0.0009627100000000 ] - [ -0.0002797900000000, -0.0000895500000000, -0.0019846000000000 ] - [ -0.0000251200000000, 0.0001039100000000, 0.0001853500000000 ] - [ -0.0000044800000000, -0.0000974300000000, -0.0000938200000000 ] - [ 0.0001593400000000, -0.0000171100000000, 0.0000484700000000 ] - [ -0.0001446100000000, -0.0000050900000000, 0.0000342400000000 ] - [ 0.0029670600000000, 0.0000021700000000, -0.0002276700000000 ] - [ -0.0011936800000000, -0.0000015300000000, -0.0003618800000000 ] - [ 0.0000176300000000, 0.0007096900000000, 0.0003380300000000 ] - [ 0.0000213600000000, -0.0006907500000000, -0.0010724400000000 ] - [ -0.0000142400000000, 0.0000073200000000, 0.0003321700000000 ] - [ 0.0000037100000000, 0.0000013200000000, 0.0003268700000000 ] - [ 0.0000003600000000, -0.0000041400000000, 0.0003324100000000 ] - [ -0.0000103800000000, 0.0000056700000000, 0.0003372900000000 ] - [ -0.0000032200000000, -0.0000093000000000, -0.0000236500000000 ] - [ 0.0000151400000000, -0.0000017300000000, -0.0000345400000000 ] - [ 0.0000015300000000, -0.0000076600000000, -0.0000417300000000 ] - [ 0.0000135900000000, 0.0000047200000000, -0.0000159400000000 ] - [ -0.0000085200000000, -0.0000007100000000, 0.0007703900000000 ] - [ -0.0000022300000000, -0.0000027000000000, 0.0007746800000000 ] - [ -0.0000035700000000, 0.0000065100000000, 0.0007692600000000 ] - [ -0.0000074000000000, 0.0000099300000000, 0.0007710300000000 ] - [ 0.0000053700000000, -0.0000081000000000, 0.0001265700000000 ] - [ -0.0000965800000000, 0.0000061000000000, 0.0001329600000000 ] - [ 0.0002567600000000, -0.0001465100000000, 0.0008445800000000 ] - [ 0.0002811200000000, 0.0001578000000000, -0.0005946700000000 ] - [ 0.0000151500000000, -0.0000051500000000, -0.0001389600000000 ] - [ -0.0000026800000000, -0.0000072900000000, -0.0001328100000000 ] - [ 0.0000075200000000, 0.0000041200000000, -0.0001286600000000 ] - [ 0.0000038900000000, -0.0000063800000000, -0.0001374700000000 ] - [ 0.0000072700000000, -0.0000007900000000, 0.0002045400000000 ] - [ 0.0000054800000000, -0.0000061400000000, 0.0002122500000000 ] - [ 0.0000111200000000, -0.0000032700000000, 0.0002048600000000 ] - [ 0.0000013900000000, -0.0000042400000000, 0.0002073700000000 ] - [ 0.0000034400000000, -0.0000058300000000, -0.0001903100000000 ] - [ 0.0000096600000000, -0.0000054300000000, -0.0001807400000000 ] - [ 0.0000064300000000, -0.0000041600000000, -0.0001789400000000 ] - [ 0.0000070900000000, -0.0000004500000000, -0.0001852600000000 ] - [ -0.0000028400000000, -0.0000273100000000, -0.0008500900000000 ] - [ 0.0000119700000000, 0.0000199300000000, -0.0007295200000000 ] - [ -0.0000365300000000, -0.0000081200000000, -0.0007916000000000 ] - [ 0.0000888400000000, 0.0000011100000000, -0.0007789200000000 ] - [ 0.0305066500000000, -0.0167977700000000, 0.0112540000000000 ] - [ 0.0292539500000000, 0.0159269700000000, -0.0116122900000000 ] - [ 0.0015459900000000, -0.0001316000000000, -0.0005275200000000 ] - [ -0.0004752600000000, 0.0000027100000000, -0.0004920700000000 ] - [ -0.0000080500000000, 0.0000036500000000, 0.0001576700000000 ] - [ -0.0000020500000000, 0.0000039400000000, 0.0001602300000000 ] - [ -0.0000054400000000, 0.0000002700000000, 0.0001589700000000 ] - [ -0.0000048300000000, 0.0000037000000000, 0.0001625300000000 ] - [ 0.0000158500000000, -0.0000099200000000, 0.0005024200000000 ] - [ -0.0000032200000000, -0.0000089700000000, 0.0004974500000000 ] - [ 0.0000052300000000, 0.0000068000000000, 0.0004999300000000 ] - [ 0.0000068800000000, -0.0000042400000000, 0.0005086700000000 ] - [ -0.0000129700000000, 0.0000000800000000, 0.0001734100000000 ] - [ 0.0000218400000000, -0.0000099300000000, 0.0001753700000000 ] - [ 0.0000151300000000, -0.0000109900000000, 0.0001414000000000 ] - [ -0.0000022800000000, 0.0000065700000000, 0.0002138500000000 ] - [ -0.0000020800000000, 0.0000048100000000, 0.0005186300000000 ] - [ -0.0000075800000000, 0.0000037700000000, 0.0005227500000000 ] - [ -0.0000041800000000, 0.0000030900000000, 0.0005275200000000 ] - [ -0.0000059600000000, 0.0000001900000000, 0.0005306800000000 ] - [ 0.0007151600000000, 0.0000043600000000, -0.0001538500000000 ] - [ -0.0015905200000000, -0.0000072300000000, -0.0001603500000000 ] - [ 0.0000004800000000, 0.0004237300000000, 0.0007910700000000 ] - [ -0.0000161600000000, -0.0004108500000000, -0.0010968900000000 ] - [ -0.0000020200000000, -0.0000033600000000, 0.0003171300000000 ] - [ -0.0000091900000000, -0.0000056100000000, 0.0003064800000000 ] - [ -0.0000035400000000, 0.0000132200000000, 0.0003042300000000 ] - [ -0.0000073900000000, 0.0000083800000000, 0.0003034300000000 ] - [ 0.0000013100000000, -0.0000040300000000, -0.0001185000000000 ] - [ 0.0000113000000000, -0.0000093600000000, -0.0001166700000000 ] - [ 0.0000108900000000, -0.0000031500000000, -0.0001184800000000 ] - [ 0.0000015100000000, 0.0000026400000000, -0.0001129600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000038900000000, -0.0000165400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000152700000000 ] - [ -0.0000033700000000, 0.0000019500000000, -0.0000165400000000 ] - [ 0.0000033700000000, 0.0000019500000000, -0.0000165400000000 ] - [ -0.0000073900000000, 0.0000042600000000, 0.0007374800000000 ] - [ 0.0000073900000000, 0.0000042600000000, 0.0007374800000000 ] - [ 0.0000000000000000, -0.0000085300000000, 0.0007374800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007389900000000 ] - [ 0.0000000000000000, -0.0000046900000000, 0.0005040000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004966700000000 ] - [ -0.0000040700000000, 0.0000023500000000, 0.0005040000000000 ] - [ 0.0000040700000000, 0.0000023500000000, 0.0005040000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008918900000000 ] - [ 0.0000000000000000, -0.0000025200000000, 0.0008833900000000 ] - [ 0.0000021800000000, 0.0000012600000000, 0.0008833900000000 ] - [ -0.0000021800000000, 0.0000012600000000, 0.0008833900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008696400000000 ] - [ 0.0000000000000000, 0.0000237800000000, 0.0008791900000000 ] - [ -0.0000206000000000, -0.0000118900000000, 0.0008791900000000 ] - [ 0.0000206000000000, -0.0000118900000000, 0.0008791900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005984800000000 ] - [ 0.0000000000000000, 0.0000084600000000, 0.0006031700000000 ] - [ -0.0000073300000000, -0.0000042300000000, 0.0006031700000000 ] - [ 0.0000073300000000, -0.0000042300000000, 0.0006031700000000 ] - [ -0.0000058500000000, 0.0000033700000000, 0.0002559500000000 ] - [ 0.0000058500000000, 0.0000033700000000, 0.0002559500000000 ] - [ 0.0000000000000000, -0.0000067500000000, 0.0002559500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002556600000000 ] - [ 0.0000000000000000, -0.0002152000000000, 0.0002713000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001749200000000 ] - [ -0.0001863700000000, 0.0001076000000000, 0.0002713000000000 ] - [ 0.0001863700000000, 0.0001076000000000, 0.0002713000000000 ] - [ 0.0000096000000000, -0.0000055400000000, 0.0007565000000000 ] - [ -0.0000096000000000, -0.0000055400000000, 0.0007565000000000 ] - [ 0.0000000000000000, 0.0000110800000000, 0.0007565000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007575900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000671700000000 ] - [ 0.0000000000000000, 0.0000057000000000, 0.0000753400000000 ] - [ -0.0000049400000000, -0.0000028500000000, 0.0000753400000000 ] - [ 0.0000049400000000, -0.0000028500000000, 0.0000753400000000 ] - [ 0.0000000000000000, 0.0000041100000000, 0.0004049500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004133800000000 ] - [ 0.0000035600000000, -0.0000020500000000, 0.0004049500000000 ] - [ -0.0000035600000000, -0.0000020500000000, 0.0004049500000000 ] - [ 0.0000000000000000, 0.0001331800000000, 0.0009806400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006488700000000 ] - [ 0.0001153400000000, -0.0000665900000000, 0.0009806400000000 ] - [ -0.0001153400000000, -0.0000665900000000, 0.0009806400000000 ] - [ 0.0014924500000000, -0.0008616700000000, 0.0007000100000000 ] - [ -0.0014924500000000, -0.0008616700000000, 0.0007000100000000 ] - [ 0.0000000000000000, 0.0017233300000000, 0.0007000100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015595600000000 ] - [ -0.0004950900000000, 0.0002858400000000, 0.0000013900000000 ] - [ 0.0004950900000000, 0.0002858400000000, 0.0000013900000000 ] - [ 0.0000000000000000, -0.0005716800000000, 0.0000013900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003578300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0748114800000000 ] - [ 0.0000000000000000, 0.0036764100000000, -0.0063737900000000 ] - [ -0.0031838700000000, -0.0018382100000000, -0.0063737900000000 ] - [ 0.0031838700000000, -0.0018382100000000, -0.0063737900000000 ] - [ -0.0000161400000000, 0.0000093200000000, 0.0005019600000000 ] - [ 0.0000161400000000, 0.0000093200000000, 0.0005019600000000 ] - [ 0.0000000000000000, -0.0000186400000000, 0.0005019600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005851400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002953700000000 ] - [ 0.0000000000000000, -0.0000084300000000, 0.0002961900000000 ] - [ 0.0000073000000000, 0.0000042200000000, 0.0002961900000000 ] - [ -0.0000073000000000, 0.0000042200000000, 0.0002961900000000 ] - [ 0.0000000000000000, 0.0071315400000000, 0.0008635100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013873000000000 ] - [ 0.0061760900000000, -0.0035657700000000, 0.0008635100000000 ] - [ -0.0061760900000000, -0.0035657700000000, 0.0008635100000000 ] - [ -0.0000119600000000, 0.0000069000000000, -0.0003258400000000 ] - [ 0.0000119600000000, 0.0000069000000000, -0.0003258400000000 ] - [ 0.0000000000000000, -0.0000138100000000, -0.0003258400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005529500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0454822600000000 ] - [ 0.0000000000000000, -0.0000845100000000, 0.0022925400000000 ] - [ 0.0000731900000000, 0.0000422500000000, 0.0022925400000000 ] - [ -0.0000731900000000, 0.0000422500000000, 0.0022925400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000677900000000 ] - [ 0.0000000000000000, 0.0000029800000000, -0.0000700300000000 ] - [ -0.0000025800000000, -0.0000014900000000, -0.0000700300000000 ] - [ 0.0000025800000000, -0.0000014900000000, -0.0000700300000000 ] - [ 0.0000000000000000, 0.0000536900000000, -0.0004741500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004447900000000 ] - [ 0.0000465000000000, -0.0000268500000000, -0.0004741500000000 ] - [ -0.0000465000000000, -0.0000268500000000, -0.0004741500000000 ] - [ -0.0000079600000000, 0.0000046000000000, 0.0004011500000000 ] - [ 0.0000079600000000, 0.0000046000000000, 0.0004011500000000 ] - [ 0.0000000000000000, -0.0000092000000000, 0.0004011500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003959400000000 ] - [ 0.0000000000000000, -0.0012292300000000, -0.0006046100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007416300000000 ] - [ -0.0010645400000000, 0.0006146100000000, -0.0006046100000000 ] - [ 0.0010645400000000, 0.0006146100000000, -0.0006046100000000 ] - [ 0.0000000000000000, -0.0000023100000000, -0.0005614200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005705100000000 ] - [ -0.0000020000000000, 0.0000011500000000, -0.0005614200000000 ] - [ 0.0000020000000000, 0.0000011500000000, -0.0005614200000000 ] - [ 0.0000011400000000, -0.0000006600000000, -0.0001790200000000 ] - [ -0.0000011400000000, -0.0000006600000000, -0.0001790200000000 ] - [ 0.0000000000000000, 0.0000013200000000, -0.0001790200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001666200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006315900000000 ] - [ 0.0000000000000000, -0.0000039500000000, -0.0006062000000000 ] - [ 0.0000034200000000, 0.0000019700000000, -0.0006062000000000 ] - [ -0.0000034200000000, 0.0000019700000000, -0.0006062000000000 ] - [ 0.0000399600000000, -0.0000230700000000, -0.0010861900000000 ] - [ -0.0000399600000000, -0.0000230700000000, -0.0010861900000000 ] - [ 0.0000000000000000, 0.0000461400000000, -0.0010861900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016326500000000 ] - [ 0.0127756300000000, -0.0073760100000000, 0.0094261200000000 ] - [ -0.0127756300000000, -0.0073760100000000, 0.0094261200000000 ] - [ 0.0000000000000000, 0.0147520300000000, 0.0094261200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019990200000000 ] - [ 0.0000000000000000, 0.0000104100000000, -0.0002495700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002441200000000 ] - [ 0.0000090100000000, -0.0000052000000000, -0.0002495700000000 ] - [ -0.0000090100000000, -0.0000052000000000, -0.0002495700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001062500000000 ] - [ 0.0000000000000000, -0.0000056000000000, 0.0000960900000000 ] - [ 0.0000048500000000, 0.0000028000000000, 0.0000960900000000 ] - [ -0.0000048500000000, 0.0000028000000000, 0.0000960900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002095500000000 ] - [ 0.0000000000000000, 0.0000034600000000, -0.0002430900000000 ] - [ -0.0000030000000000, -0.0000017300000000, -0.0002430900000000 ] - [ 0.0000030000000000, -0.0000017300000000, -0.0002430900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000619000000000 ] - [ 0.0000000000000000, 0.0000053600000000, 0.0000754400000000 ] - [ -0.0000046500000000, -0.0000026800000000, 0.0000754400000000 ] - [ 0.0000046500000000, -0.0000026800000000, 0.0000754400000000 ] - [ 0.0000000000000000, 0.0002568000000000, -0.0004864500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004287400000000 ] - [ 0.0002224000000000, -0.0001284000000000, -0.0004864500000000 ] - [ -0.0002224000000000, -0.0001284000000000, -0.0004864500000000 ] - [ 0.0000082500000000, -0.0000047600000000, -0.0001279700000000 ] - [ -0.0000082500000000, -0.0000047600000000, -0.0001279700000000 ] - [ 0.0000000000000000, 0.0000095300000000, -0.0001279700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001317700000000 ] - [ 0.0000000000000000, 0.0000070500000000, -0.0005062100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005114300000000 ] - [ 0.0000061100000000, -0.0000035300000000, -0.0005062100000000 ] - [ -0.0000061100000000, -0.0000035300000000, -0.0005062100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000010000000000, -0.0008167400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008162600000000 ] - [ -0.0000008600000000, 0.0000005000000000, -0.0008167400000000 ] - [ 0.0000008600000000, 0.0000005000000000, -0.0008167400000000 ] - [ -0.0000006000000000, 0.0000003500000000, -0.0000717900000000 ] - [ 0.0000006000000000, 0.0000003500000000, -0.0000717900000000 ] - [ 0.0000000000000000, -0.0000007000000000, -0.0000717900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000718300000000 ] - [ 0.0000000000000000, 0.0000001900000000, -0.0003965200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003972500000000 ] - [ 0.0000001600000000, -0.0000000900000000, -0.0003965200000000 ] - [ -0.0000001600000000, -0.0000000900000000, -0.0003965200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000369800000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0000379100000000 ] - [ -0.0000002000000000, -0.0000001200000000, 0.0000379100000000 ] - [ 0.0000002000000000, -0.0000001200000000, 0.0000379100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000029600000000 ] - [ 0.0000000000000000, -0.0000145200000000, -0.0000093500000000 ] - [ 0.0000125800000000, 0.0000072600000000, -0.0000093500000000 ] - [ -0.0000125800000000, 0.0000072600000000, -0.0000093500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002240300000000 ] - [ 0.0000000000000000, -0.0000036100000000, -0.0002270200000000 ] - [ 0.0000031300000000, 0.0000018100000000, -0.0002270200000000 ] - [ -0.0000031300000000, 0.0000018100000000, -0.0002270200000000 ] - [ 0.0000055800000000, -0.0000032200000000, -0.0005720100000000 ] - [ -0.0000055800000000, -0.0000032200000000, -0.0005720100000000 ] - [ 0.0000000000000000, 0.0000064500000000, -0.0005720100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005705100000000 ] - [ 0.0000000000000000, 0.0002010700000000, -0.0006270400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005314000000000 ] - [ 0.0001741400000000, -0.0001005400000000, -0.0006270400000000 ] - [ -0.0001741400000000, -0.0001005400000000, -0.0006270400000000 ] - [ 0.0000005200000000, -0.0000003000000000, -0.0000470600000000 ] - [ -0.0000005200000000, -0.0000003000000000, -0.0000470600000000 ] - [ 0.0000000000000000, 0.0000006000000000, -0.0000470600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000473800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007378600000000 ] - [ 0.0000000000000000, 0.0000007100000000, -0.0007357800000000 ] - [ -0.0000006200000000, -0.0000003600000000, -0.0007357800000000 ] - [ 0.0000006200000000, -0.0000003600000000, -0.0007357800000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0004006100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004029800000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0004006100000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0004006100000000 ] - [ 0.0000000000000000, -0.0001330100000000, -0.0000570500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002677000000000 ] - [ -0.0001151900000000, 0.0000665100000000, -0.0000570500000000 ] - [ 0.0001151900000000, 0.0000665100000000, -0.0000570500000000 ] - [ -0.0014700100000000, 0.0008487100000000, -0.0021418900000000 ] - [ 0.0014700100000000, 0.0008487100000000, -0.0021418900000000 ] - [ 0.0000000000000000, -0.0016974200000000, -0.0021418900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000990000000000 ] - [ 0.0004932400000000, -0.0002847700000000, -0.0010388600000000 ] - [ -0.0004932400000000, -0.0002847700000000, -0.0010388600000000 ] - [ 0.0000000000000000, 0.0005695500000000, -0.0010388600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006931500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0763791500000000 ] - [ 0.0000000000000000, -0.0036607600000000, 0.0058834200000000 ] - [ 0.0031703100000000, 0.0018303800000000, 0.0058834200000000 ] - [ -0.0031703100000000, 0.0018303800000000, 0.0058834200000000 ] - [ 0.0000126000000000, -0.0000072700000000, -0.0003268000000000 ] - [ -0.0000126000000000, -0.0000072700000000, -0.0003268000000000 ] - [ 0.0000000000000000, 0.0000145500000000, -0.0003268000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004108800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004957900000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0004896400000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0004896400000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0004896400000000 ] - [ 0.0000000000000000, -0.0071312000000000, -0.0019281200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003429300000000 ] - [ -0.0061758000000000, 0.0035656000000000, -0.0019281200000000 ] - [ 0.0061758000000000, 0.0035656000000000, -0.0019281200000000 ] - [ 0.0000111000000000, -0.0000064100000000, 0.0004029700000000 ] - [ -0.0000111000000000, -0.0000064100000000, 0.0004029700000000 ] - [ 0.0000000000000000, 0.0000128200000000, 0.0004029700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006322300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0488056900000000 ] - [ 0.0000000000000000, 0.0000788700000000, -0.0030087900000000 ] - [ -0.0000683000000000, -0.0000394300000000, -0.0030087900000000 ] - [ 0.0000683000000000, -0.0000394300000000, -0.0030087900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007413800000000 ] - [ 0.0000000000000000, 0.0000002900000000, 0.0007457600000000 ] - [ -0.0000002500000000, -0.0000001500000000, 0.0007457600000000 ] - [ 0.0000002500000000, -0.0000001500000000, 0.0007457600000000 ] - [ 0.0000000000000000, -0.0000500400000000, 0.0004140800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003855600000000 ] - [ -0.0000433400000000, 0.0000250200000000, 0.0004140800000000 ] - [ 0.0000433400000000, 0.0000250200000000, 0.0004140800000000 ] - [ 0.0000035400000000, -0.0000020400000000, 0.0011870900000000 ] - [ -0.0000035400000000, -0.0000020400000000, 0.0011870900000000 ] - [ 0.0000000000000000, 0.0000040800000000, 0.0011870900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011890500000000 ] - [ 0.0000000000000000, 0.0012221700000000, 0.0008590300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004752500000000 ] - [ 0.0010584300000000, -0.0006110800000000, 0.0008590300000000 ] - [ -0.0010584300000000, -0.0006110800000000, 0.0008590300000000 ] - [ 0.0000000000000000, 0.0000016300000000, 0.0002559600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002649300000000 ] - [ 0.0000014200000000, -0.0000008200000000, 0.0002559600000000 ] - [ -0.0000014200000000, -0.0000008200000000, 0.0002559600000000 ] - [ -0.0000019100000000, 0.0000011100000000, 0.0006304400000000 ] - [ 0.0000019100000000, 0.0000011100000000, 0.0006304400000000 ] - [ 0.0000000000000000, -0.0000022100000000, 0.0006304400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006272700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002252000000000 ] - [ 0.0000000000000000, 0.0000010400000000, 0.0002118800000000 ] - [ -0.0000009000000000, -0.0000005200000000, 0.0002118800000000 ] - [ 0.0000009000000000, -0.0000005200000000, 0.0002118800000000 ] - [ -0.0000390700000000, 0.0000225600000000, -0.0005127800000000 ] - [ 0.0000390700000000, 0.0000225600000000, -0.0005127800000000 ] - [ 0.0000000000000000, -0.0000451200000000, -0.0005127800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000452900000000 ] - [ -0.0127087800000000, 0.0073374200000000, -0.0104503000000000 ] - [ 0.0127087800000000, 0.0073374200000000, -0.0104503000000000 ] - [ 0.0000000000000000, -0.0146748400000000, -0.0104503000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029358800000000 ] - [ 0.0000000000000000, -0.0000024800000000, 0.0005603000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005634600000000 ] - [ -0.0000021500000000, 0.0000012400000000, 0.0005603000000000 ] - [ 0.0000021500000000, 0.0000012400000000, 0.0005603000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009165700000000 ] - [ 0.0000000000000000, 0.0000030700000000, 0.0009185600000000 ] - [ -0.0000026600000000, -0.0000015400000000, 0.0009185600000000 ] - [ 0.0000026600000000, -0.0000015400000000, 0.0009185600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006063500000000 ] - [ 0.0000000000000000, -0.0000038600000000, 0.0006384800000000 ] - [ 0.0000033400000000, 0.0000019300000000, 0.0006384800000000 ] - [ -0.0000033400000000, 0.0000019300000000, 0.0006384800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009715300000000 ] - [ 0.0000000000000000, -0.0000018900000000, 0.0009634500000000 ] - [ 0.0000016400000000, 0.0000009400000000, 0.0009634500000000 ] - [ -0.0000016400000000, 0.0000009400000000, 0.0009634500000000 ] - [ 0.0000000000000000, -0.0002551700000000, 0.0001587900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007489000000000 ] - [ -0.0002209800000000, 0.0001275900000000, 0.0001587900000000 ] - [ 0.0002209800000000, 0.0001275900000000, 0.0001587900000000 ] - [ -0.0000051800000000, 0.0000029900000000, 0.0007065100000000 ] - [ 0.0000051800000000, 0.0000029900000000, 0.0007065100000000 ] - [ 0.0000000000000000, -0.0000059800000000, 0.0007065100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007117700000000 ] - [ 0.0000000000000000, -0.0000035600000000, 0.0003019700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003002800000000 ] - [ -0.0000030800000000, 0.0000017800000000, 0.0003019700000000 ] - [ 0.0000030800000000, 0.0000017800000000, 0.0003019700000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000136000000000, 0.0000096900000000, -0.0004086900000000 ] - [ -0.0000135600000000, 0.0000093400000000, -0.0004088000000000 ] - [ -0.0000140900000000, 0.0000094400000000, -0.0004087700000000 ] - [ -0.0000138700000000, 0.0000094400000000, -0.0004087900000000 ] - [ -0.0000151800000000, 0.0000089200000000, 0.0003375000000000 ] - [ -0.0000139000000000, 0.0000091200000000, 0.0003373300000000 ] - [ -0.0000141200000000, 0.0000087300000000, 0.0003373200000000 ] - [ -0.0000139800000000, 0.0000088900000000, 0.0003373900000000 ] - [ 0.0000159700000000, -0.0000094000000000, 0.0000107400000000 ] - [ 0.0000161000000000, -0.0000082000000000, 0.0000108700000000 ] - [ 0.0000147400000000, -0.0000088800000000, 0.0000107900000000 ] - [ 0.0000170800000000, -0.0000088000000000, 0.0000108000000000 ] - [ 0.0000157700000000, -0.0000081100000000, 0.0004514600000000 ] - [ 0.0000158500000000, -0.0000083700000000, 0.0004506400000000 ] - [ 0.0000160100000000, -0.0000082500000000, 0.0004511200000000 ] - [ 0.0000159300000000, -0.0000082100000000, 0.0004511200000000 ] - [ -0.0000153600000000, 0.0000092300000000, 0.0004020700000000 ] - [ -0.0000152300000000, 0.0000092100000000, 0.0004023100000000 ] - [ -0.0000152500000000, 0.0000091900000000, 0.0004022900000000 ] - [ -0.0000154100000000, 0.0000092700000000, 0.0004021900000000 ] - [ -0.0003128700000000, 0.0000945000000000, -0.0059695700000000 ] - [ -0.0003012500000000, -0.0000759000000000, 0.0063631900000000 ] - [ -0.0001594500000000, 0.0000094500000000, 0.0001899700000000 ] - [ 0.0005381400000000, 0.0000111600000000, 0.0001981700000000 ] - [ -0.0000133600000000, 0.0000096700000000, -0.0001625800000000 ] - [ -0.0000147800000000, 0.0000096200000000, -0.0001625600000000 ] - [ -0.0000147300000000, 0.0000095800000000, -0.0001625100000000 ] - [ -0.0000148100000000, 0.0000095800000000, -0.0001625900000000 ] - [ -0.0000153300000000, 0.0000094500000000, -0.0001866000000000 ] - [ -0.0000151800000000, 0.0000104900000000, -0.0001870800000000 ] - [ -0.0000158900000000, 0.0000099100000000, -0.0001869000000000 ] - [ -0.0000143400000000, 0.0000100000000000, -0.0001867700000000 ] - [ 0.0000145700000000, -0.0000083000000000, 0.0003608300000000 ] - [ 0.0000186400000000, -0.0000085100000000, 0.0003609600000000 ] - [ 0.0000164200000000, -0.0000099300000000, 0.0003482000000000 ] - [ 0.0000163900000000, -0.0000073300000000, 0.0003735900000000 ] - [ -0.0000140800000000, 0.0000084700000000, -0.0003273000000000 ] - [ -0.0000140600000000, 0.0000085600000000, -0.0003271900000000 ] - [ -0.0000141400000000, 0.0000085100000000, -0.0003271600000000 ] - [ -0.0000139400000000, 0.0000085100000000, -0.0003271100000000 ] - [ 0.0000131300000000, -0.0001716400000000, -0.0005553500000000 ] - [ 0.0000130000000000, 0.0001550600000000, 0.0005734600000000 ] - [ -0.0003966800000000, -0.0000079900000000, 0.0000064300000000 ] - [ 0.0002960000000000, -0.0000085100000000, 0.0000097300000000 ] - [ -0.0003013000000000, -0.0000831800000000, 0.0019105800000000 ] - [ -0.0003067900000000, 0.0000923000000000, -0.0009970500000000 ] - [ 0.0005388000000000, 0.0000113100000000, 0.0004605500000000 ] - [ -0.0001520500000000, 0.0000057200000000, 0.0004630800000000 ] - [ 0.0004266000000000, -0.0000070200000000, -0.0007298800000000 ] - [ -0.0004020900000000, -0.0000081400000000, -0.0007307700000000 ] - [ 0.0000502900000000, 0.0002525800000000, -0.0006748100000000 ] - [ 0.0000487500000000, -0.0002688700000000, -0.0007863200000000 ] - [ 0.0000133000000000, -0.0000085700000000, -0.0005118600000000 ] - [ 0.0000184300000000, -0.0000084600000000, -0.0005118200000000 ] - [ 0.0000159500000000, -0.0000098700000000, -0.0005113200000000 ] - [ 0.0000161200000000, -0.0000071400000000, -0.0005121500000000 ] - [ 0.0000135800000000, 0.0000220800000000, -0.0002890800000000 ] - [ 0.0000133900000000, -0.0000387900000000, -0.0002632100000000 ] - [ 0.0000662100000000, -0.0000085800000000, -0.0002760900000000 ] - [ -0.0000325800000000, -0.0000086800000000, -0.0002761400000000 ] - [ -0.0719087400000000, -0.0010365900000000, -0.0005109000000000 ] - [ 0.0113360900000000, 0.0000468400000000, 0.0000675100000000 ] - [ -0.0006164100000000, -0.0068879300000000, 0.0032421200000000 ] - [ -0.0006001600000000, 0.0068860600000000, -0.0031206600000000 ] - [ 0.0000144600000000, 0.0000215000000000, -0.0000532700000000 ] - [ 0.0000140200000000, -0.0000394400000000, -0.0001079300000000 ] - [ 0.0000670200000000, -0.0000087900000000, -0.0000806500000000 ] - [ -0.0000318800000000, -0.0000090500000000, -0.0000803600000000 ] - [ 0.0000161400000000, -0.0000005100000000, -0.0005007700000000 ] - [ 0.0000161300000000, -0.0000174900000000, -0.0005011700000000 ] - [ 0.0000302900000000, -0.0000089200000000, -0.0005010400000000 ] - [ 0.0000014100000000, -0.0000089300000000, -0.0005008600000000 ] - [ 0.0029148500000000, -0.0000076100000000, 0.0001685000000000 ] - [ -0.0011781800000000, -0.0000043500000000, 0.0000327100000000 ] - [ 0.0000313800000000, 0.0006926600000000, -0.0006765300000000 ] - [ 0.0000274200000000, -0.0007019100000000, 0.0007392800000000 ] - [ -0.0000035800000000, -0.0000015000000000, -0.0003971100000000 ] - [ -0.0000043400000000, 0.0000091200000000, -0.0003517200000000 ] - [ -0.0000130600000000, 0.0000031900000000, -0.0003746700000000 ] - [ 0.0000014100000000, 0.0000027700000000, -0.0003742200000000 ] - [ -0.0000250000000000, 0.0001060700000000, 0.0001871300000000 ] - [ -0.0000266800000000, -0.0001007100000000, 0.0004654200000000 ] - [ 0.0001532700000000, 0.0000039300000000, 0.0003261000000000 ] - [ -0.0001602000000000, 0.0000027000000000, 0.0003250700000000 ] - [ 0.0000059500000000, -0.0000031000000000, -0.0000174300000000 ] - [ 0.0000064000000000, -0.0000031100000000, -0.0000167400000000 ] - [ 0.0000063000000000, -0.0000032300000000, -0.0000164100000000 ] - [ 0.0000060800000000, -0.0000029600000000, -0.0000176400000000 ] - [ -0.0000237000000000, 0.0000040100000000, 0.0007774900000000 ] - [ 0.0000077500000000, 0.0000042900000000, 0.0007772800000000 ] - [ -0.0000061600000000, -0.0000047700000000, 0.0008168300000000 ] - [ -0.0000057600000000, 0.0000110100000000, 0.0007381600000000 ] - [ -0.0000055600000000, 0.0000017500000000, 0.0001166000000000 ] - [ -0.0000049600000000, 0.0000044800000000, 0.0001237200000000 ] - [ -0.0000070400000000, 0.0000024500000000, 0.0001204900000000 ] - [ -0.0000029100000000, 0.0000027700000000, 0.0001208200000000 ] - [ 0.0000028900000000, -0.0004209600000000, 0.0007841600000000 ] - [ 0.0000039800000000, 0.0004142800000000, -0.0011020100000000 ] - [ -0.0015791300000000, -0.0000019700000000, -0.0001525300000000 ] - [ 0.0007267900000000, -0.0000029500000000, -0.0001613500000000 ] - [ 0.0000055900000000, -0.0000033300000000, 0.0002150800000000 ] - [ 0.0000063600000000, -0.0000031700000000, 0.0002148700000000 ] - [ 0.0000059400000000, -0.0000033600000000, 0.0002150300000000 ] - [ 0.0000060800000000, -0.0000029700000000, 0.0002151200000000 ] - [ 0.0000065400000000, -0.0000034700000000, -0.0002023200000000 ] - [ 0.0000062300000000, -0.0000034900000000, -0.0002017600000000 ] - [ 0.0000064800000000, -0.0000035900000000, -0.0002022200000000 ] - [ 0.0000064400000000, -0.0000037300000000, -0.0002018000000000 ] - [ 0.0000067100000000, -0.0000036400000000, -0.0007987000000000 ] - [ 0.0000054400000000, -0.0000027500000000, -0.0007986700000000 ] - [ 0.0000053700000000, -0.0000029000000000, -0.0007976500000000 ] - [ 0.0000070000000000, -0.0000035900000000, -0.0008001600000000 ] - [ -0.0000698700000000, 0.0000037400000000, -0.0004619200000000 ] - [ 0.0000850600000000, 0.0000035000000000, -0.0004631100000000 ] - [ -0.0000131800000000, -0.0000531200000000, -0.0005326100000000 ] - [ -0.0000134900000000, 0.0000605100000000, -0.0003928700000000 ] - [ -0.0000058200000000, 0.0000009700000000, 0.0001470200000000 ] - [ -0.0000055400000000, 0.0000053300000000, 0.0001457800000000 ] - [ -0.0000084700000000, 0.0000033100000000, 0.0001463700000000 ] - [ -0.0000019000000000, 0.0000034400000000, 0.0001461200000000 ] - [ 0.0000055400000000, -0.0000034100000000, 0.0004993700000000 ] - [ 0.0000067500000000, -0.0000032900000000, 0.0005002600000000 ] - [ 0.0000060100000000, -0.0000043800000000, 0.0004997100000000 ] - [ 0.0000062100000000, -0.0000036900000000, 0.0004987200000000 ] - [ 0.0292791500000000, -0.0159308500000000, -0.0109125100000000 ] - [ 0.0305290700000000, 0.0168058900000000, 0.0119453500000000 ] - [ 0.0015593300000000, 0.0001312800000000, 0.0001583400000000 ] - [ -0.0004646400000000, -0.0000051100000000, 0.0002049700000000 ] - [ -0.0000052700000000, 0.0000033800000000, 0.0005406900000000 ] - [ -0.0000049200000000, 0.0000030400000000, 0.0005423300000000 ] - [ -0.0000048500000000, 0.0000034000000000, 0.0005408400000000 ] - [ -0.0000056300000000, 0.0000036400000000, 0.0005409400000000 ] - [ 0.0002148500000000, 0.0001738300000000, 0.0005738400000000 ] - [ 0.0002149500000000, -0.0001663800000000, -0.0009033800000000 ] - [ -0.0000490200000000, 0.0000031200000000, -0.0001652700000000 ] - [ -0.0000796400000000, 0.0000034700000000, -0.0001668400000000 ] - [ -0.0000055300000000, 0.0000040600000000, 0.0002885300000000 ] - [ -0.0000053400000000, 0.0000040800000000, 0.0002895000000000 ] - [ -0.0000058300000000, 0.0000028900000000, 0.0002895400000000 ] - [ -0.0000056600000000, 0.0000032800000000, 0.0002897900000000 ] - [ 0.0000067400000000, -0.0000032300000000, -0.0001115900000000 ] - [ 0.0000058200000000, -0.0000023900000000, -0.0001121800000000 ] - [ 0.0000055300000000, -0.0000031400000000, -0.0001119100000000 ] - [ 0.0000069600000000, -0.0000036600000000, -0.0001119300000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000300000000, 0.0000000200000000, 0.0000015200000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0000015200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000012500000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0000015200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007523300000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0007489200000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0007489200000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0007489200000000 ] - [ -0.0000005200000000, -0.0000003000000000, 0.0004225500000000 ] - [ 0.0000005200000000, -0.0000003000000000, 0.0004225500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004256400000000 ] - [ 0.0000000000000000, 0.0000006000000000, 0.0004225500000000 ] - [ -0.0000004200000000, 0.0000002400000000, 0.0008685900000000 ] - [ 0.0000004200000000, 0.0000002400000000, 0.0008685900000000 ] - [ 0.0000000000000000, -0.0000004900000000, 0.0008685900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008681300000000 ] - [ -0.0000002900000000, 0.0000001700000000, 0.0008146800000000 ] - [ 0.0000002900000000, 0.0000001700000000, 0.0008146800000000 ] - [ 0.0000000000000000, -0.0000003300000000, 0.0008146800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008148100000000 ] - [ -0.0014891400000000, 0.0008597600000000, 0.0016147700000000 ] - [ 0.0014891400000000, 0.0008597600000000, 0.0016147700000000 ] - [ 0.0000000000000000, -0.0017195100000000, 0.0016147700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006475200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002393700000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0002486600000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0002486600000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0002486600000000 ] - [ -0.0000006000000000, -0.0000003500000000, 0.0002302400000000 ] - [ 0.0000006000000000, -0.0000003500000000, 0.0002302400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002303800000000 ] - [ 0.0000000000000000, 0.0000007000000000, 0.0002302400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007731800000000 ] - [ 0.0000000000000000, -0.0000041300000000, 0.0007765200000000 ] - [ 0.0000035800000000, 0.0000020600000000, 0.0007765200000000 ] - [ -0.0000035800000000, 0.0000020600000000, 0.0007765200000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0000842400000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0000842400000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0000842400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000844300000000 ] - [ 0.0001163800000000, 0.0000671900000000, 0.0005302400000000 ] - [ -0.0001163800000000, 0.0000671900000000, 0.0005302400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002018700000000 ] - [ 0.0000000000000000, -0.0001343800000000, 0.0005302400000000 ] - [ 0.0061423200000000, 0.0035462700000000, 0.0018603600000000 ] - [ -0.0061423200000000, 0.0035462700000000, 0.0018603600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004134400000000 ] - [ 0.0000000000000000, -0.0070925400000000, 0.0018603600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005066400000000 ] - [ 0.0000000000000000, -0.0007925600000000, -0.0005280400000000 ] - [ 0.0006863800000000, 0.0003962800000000, -0.0005280400000000 ] - [ -0.0006863800000000, 0.0003962800000000, -0.0005280400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000954400000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0001003500000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0001003500000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0001003500000000 ] - [ -0.0000275700000000, 0.0000159200000000, 0.0001180300000000 ] - [ 0.0000275700000000, 0.0000159200000000, 0.0001180300000000 ] - [ 0.0000000000000000, -0.0000318400000000, 0.0001180300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002028600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0736335400000000 ] - [ 0.0000000000000000, -0.0036779600000000, -0.0061064600000000 ] - [ 0.0031852100000000, 0.0018389800000000, -0.0061064600000000 ] - [ -0.0031852100000000, 0.0018389800000000, -0.0061064600000000 ] - [ 0.0000129300000000, -0.0000074700000000, 0.0003132900000000 ] - [ -0.0000129300000000, -0.0000074700000000, 0.0003132900000000 ] - [ 0.0000000000000000, 0.0000149300000000, 0.0003132900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003982100000000 ] - [ 0.0000129500000000, 0.0000074800000000, -0.0000901300000000 ] - [ -0.0000129500000000, 0.0000074800000000, -0.0000901300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000821600000000 ] - [ 0.0000000000000000, -0.0000149500000000, -0.0000901300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0458767200000000 ] - [ 0.0000000000000000, 0.0000862400000000, 0.0026883300000000 ] - [ -0.0000746800000000, -0.0000431200000000, 0.0026883300000000 ] - [ 0.0000746800000000, -0.0000431200000000, 0.0026883300000000 ] - [ 0.0000094000000000, -0.0000054300000000, -0.0008014700000000 ] - [ -0.0000094000000000, -0.0000054300000000, -0.0008014700000000 ] - [ 0.0000000000000000, 0.0000108600000000, -0.0008014700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007552400000000 ] - [ 0.0000111400000000, -0.0000064300000000, -0.0000476600000000 ] - [ -0.0000111400000000, -0.0000064300000000, -0.0000476600000000 ] - [ 0.0000000000000000, 0.0000128600000000, -0.0000476600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002743100000000 ] - [ -0.0000009900000000, -0.0000005700000000, -0.0004316200000000 ] - [ 0.0000009900000000, -0.0000005700000000, -0.0004316200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004304500000000 ] - [ 0.0000000000000000, 0.0000011400000000, -0.0004316200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003873600000000 ] - [ 0.0000000000000000, -0.0000073900000000, 0.0003517900000000 ] - [ 0.0000064000000000, 0.0000037000000000, 0.0003517900000000 ] - [ -0.0000064000000000, 0.0000037000000000, 0.0003517900000000 ] - [ -0.0000041700000000, -0.0000024100000000, -0.0003010500000000 ] - [ 0.0000041700000000, -0.0000024100000000, -0.0003010500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003001800000000 ] - [ 0.0000000000000000, 0.0000048100000000, -0.0003010500000000 ] - [ 0.0002207500000000, 0.0001274500000000, -0.0004833100000000 ] - [ -0.0002207500000000, 0.0001274500000000, -0.0004833100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004316500000000 ] - [ 0.0000000000000000, -0.0002549000000000, -0.0004833100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002013100000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0002014000000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0002014000000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0002014000000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0006184400000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0006184400000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0006184400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006166100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012200700000000 ] - [ 0.0000000000000000, 0.0000007200000000, -0.0012213800000000 ] - [ -0.0000006200000000, -0.0000003600000000, -0.0012213800000000 ] - [ 0.0000006200000000, -0.0000003600000000, -0.0012213800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007947600000000 ] - [ 0.0000000000000000, 0.0001650600000000, -0.0009110900000000 ] - [ -0.0001429500000000, -0.0000825300000000, -0.0009110900000000 ] - [ 0.0001429500000000, -0.0000825300000000, -0.0009110900000000 ] - [ -0.0000006700000000, -0.0000003900000000, -0.0002681900000000 ] - [ 0.0000006700000000, -0.0000003900000000, -0.0002681900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002767000000000 ] - [ 0.0000000000000000, 0.0000007800000000, -0.0002681900000000 ] - [ -0.0000010200000000, 0.0000005900000000, 0.0000788200000000 ] - [ 0.0000010200000000, 0.0000005900000000, 0.0000788200000000 ] - [ 0.0000000000000000, -0.0000011700000000, 0.0000788200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000780400000000 ] - [ -0.0127690000000000, 0.0073721800000000, 0.0101095500000000 ] - [ 0.0127690000000000, 0.0073721800000000, 0.0101095500000000 ] - [ 0.0000000000000000, -0.0147443700000000, 0.0101095500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027039200000000 ] - [ -0.0000001100000000, 0.0000000700000000, 0.0001249400000000 ] - [ 0.0000001100000000, 0.0000000700000000, 0.0001249400000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0001249400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001239400000000 ] - [ -0.0009098700000000, -0.0005253100000000, -0.0009358500000000 ] - [ 0.0009098700000000, -0.0005253100000000, -0.0009358500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004674100000000 ] - [ 0.0000000000000000, 0.0010506200000000, -0.0009358500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001367400000000 ] - [ 0.0000000000000000, 0.0000023400000000, -0.0001322700000000 ] - [ -0.0000020200000000, -0.0000011700000000, -0.0001322700000000 ] - [ 0.0000020200000000, -0.0000011700000000, -0.0001322700000000 ] - [ 0.0000001100000000, 0.0000000700000000, -0.0005279200000000 ] - [ -0.0000001100000000, 0.0000000700000000, -0.0005279200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005280000000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0005279200000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000002500000000, -0.0000001500000000, -0.0008213700000000 ] - [ 0.0000002500000000, -0.0000001500000000, -0.0008213700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008213700000000 ] - [ 0.0000000000000000, 0.0000002900000000, -0.0008213700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000790200000000 ] - [ 0.0000000000000000, -0.0000005000000000, -0.0000763400000000 ] - [ 0.0000004400000000, 0.0000002500000000, -0.0000763400000000 ] - [ -0.0000004400000000, 0.0000002500000000, -0.0000763400000000 ] - [ 0.0000013500000000, 0.0000007800000000, -0.0004053900000000 ] - [ -0.0000013500000000, 0.0000007800000000, -0.0004053900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004088300000000 ] - [ 0.0000000000000000, -0.0000015500000000, -0.0004053900000000 ] - [ 0.0000007600000000, -0.0000004400000000, 0.0000356800000000 ] - [ -0.0000007600000000, -0.0000004400000000, 0.0000356800000000 ] - [ 0.0000000000000000, 0.0000008700000000, 0.0000356800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000375000000000 ] - [ 0.0000012800000000, -0.0000007400000000, -0.0000109900000000 ] - [ -0.0000012800000000, -0.0000007400000000, -0.0000109900000000 ] - [ 0.0000000000000000, 0.0000014700000000, -0.0000109900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000125300000000 ] - [ 0.0014671100000000, -0.0008470400000000, -0.0012175700000000 ] - [ -0.0014671100000000, -0.0008470400000000, -0.0012175700000000 ] - [ 0.0000000000000000, 0.0016940800000000, -0.0012175700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010271900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005672500000000 ] - [ 0.0000000000000000, -0.0000008500000000, -0.0005780600000000 ] - [ 0.0000007400000000, 0.0000004300000000, -0.0005780600000000 ] - [ -0.0000007400000000, 0.0000004300000000, -0.0005780600000000 ] - [ 0.0000005200000000, 0.0000003000000000, -0.0006018600000000 ] - [ -0.0000005200000000, 0.0000003000000000, -0.0006018600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006015700000000 ] - [ 0.0000000000000000, -0.0000006000000000, -0.0006018600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000532800000000 ] - [ 0.0000000000000000, 0.0000044900000000, -0.0000582100000000 ] - [ -0.0000038900000000, -0.0000022500000000, -0.0000582100000000 ] - [ 0.0000038900000000, -0.0000022500000000, -0.0000582100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007413300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007413300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007413300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007409200000000 ] - [ -0.0001154500000000, -0.0000666500000000, -0.0005151500000000 ] - [ 0.0001154500000000, -0.0000666500000000, -0.0005151500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001925800000000 ] - [ 0.0000000000000000, 0.0001333100000000, -0.0005151500000000 ] - [ -0.0061459000000000, -0.0035483400000000, -0.0009721900000000 ] - [ 0.0061459000000000, -0.0035483400000000, -0.0009721900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013241100000000 ] - [ 0.0000000000000000, 0.0070966800000000, -0.0009721900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019623700000000 ] - [ 0.0000000000000000, 0.0007879400000000, -0.0009301700000000 ] - [ -0.0006823800000000, -0.0003939700000000, -0.0009301700000000 ] - [ 0.0006823800000000, -0.0003939700000000, -0.0009301700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009288000000000 ] - [ 0.0000000000000000, 0.0000006200000000, -0.0009247600000000 ] - [ -0.0000005400000000, -0.0000003100000000, -0.0009247600000000 ] - [ 0.0000005400000000, -0.0000003100000000, -0.0009247600000000 ] - [ 0.0000275700000000, -0.0000159200000000, -0.0006763200000000 ] - [ -0.0000275700000000, -0.0000159200000000, -0.0006763200000000 ] - [ 0.0000000000000000, 0.0000318400000000, -0.0006763200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007608200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0773335800000000 ] - [ 0.0000000000000000, 0.0036636100000000, 0.0062359600000000 ] - [ -0.0031727800000000, -0.0018318000000000, 0.0062359600000000 ] - [ 0.0031727800000000, -0.0018318000000000, 0.0062359600000000 ] - [ -0.0000129000000000, 0.0000074500000000, -0.0004753500000000 ] - [ 0.0000129000000000, 0.0000074500000000, -0.0004753500000000 ] - [ 0.0000000000000000, -0.0000149000000000, -0.0004753500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005597600000000 ] - [ -0.0000126000000000, -0.0000072700000000, -0.0009152000000000 ] - [ 0.0000126000000000, -0.0000072700000000, -0.0009152000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009240300000000 ] - [ 0.0000000000000000, 0.0000145500000000, -0.0009152000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0483774100000000 ] - [ 0.0000000000000000, -0.0000784600000000, -0.0026148600000000 ] - [ 0.0000679400000000, 0.0000392300000000, -0.0026148600000000 ] - [ -0.0000679400000000, 0.0000392300000000, -0.0026148600000000 ] - [ -0.0000055400000000, 0.0000032000000000, 0.0000736500000000 ] - [ 0.0000055400000000, 0.0000032000000000, 0.0000736500000000 ] - [ 0.0000000000000000, -0.0000063900000000, 0.0000736500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000281200000000 ] - [ -0.0000106300000000, 0.0000061400000000, 0.0007051900000000 ] - [ 0.0000106300000000, 0.0000061400000000, 0.0007051900000000 ] - [ 0.0000000000000000, -0.0000122700000000, 0.0007051900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009302900000000 ] - [ 0.0000095400000000, 0.0000055100000000, 0.0003632700000000 ] - [ -0.0000095400000000, 0.0000055100000000, 0.0003632700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003623900000000 ] - [ 0.0000000000000000, -0.0000110100000000, 0.0003632700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011848900000000 ] - [ 0.0000000000000000, 0.0000091900000000, 0.0012176100000000 ] - [ -0.0000079600000000, -0.0000046000000000, 0.0012176100000000 ] - [ 0.0000079600000000, -0.0000046000000000, 0.0012176100000000 ] - [ 0.0000060800000000, 0.0000035100000000, 0.0005593900000000 ] - [ -0.0000060800000000, 0.0000035100000000, 0.0005593900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005565700000000 ] - [ 0.0000000000000000, -0.0000070200000000, 0.0005593900000000 ] - [ -0.0002184600000000, -0.0001261300000000, 0.0001813100000000 ] - [ 0.0002184600000000, -0.0001261300000000, 0.0001813100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007192800000000 ] - [ 0.0000000000000000, 0.0002522600000000, 0.0001813100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006372400000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0006361800000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0006361800000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0006361800000000 ] - [ 0.0000046400000000, -0.0000026800000000, 0.0002079400000000 ] - [ -0.0000046400000000, -0.0000026800000000, 0.0002079400000000 ] - [ 0.0000000000000000, 0.0000053600000000, 0.0002079400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002010800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003848900000000 ] - [ 0.0000000000000000, 0.0000010900000000, -0.0003796300000000 ] - [ -0.0000009400000000, -0.0000005400000000, -0.0003796300000000 ] - [ 0.0000009400000000, -0.0000005400000000, -0.0003796300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001804200000000 ] - [ 0.0000000000000000, -0.0001637600000000, -0.0000639700000000 ] - [ 0.0001418200000000, 0.0000818800000000, -0.0000639700000000 ] - [ -0.0001418200000000, 0.0000818800000000, -0.0000639700000000 ] - [ 0.0000028100000000, 0.0000016200000000, 0.0005623000000000 ] - [ -0.0000028100000000, 0.0000016200000000, 0.0005623000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005674800000000 ] - [ 0.0000000000000000, -0.0000032500000000, 0.0005623000000000 ] - [ 0.0000033300000000, -0.0000019200000000, 0.0009237900000000 ] - [ -0.0000033300000000, -0.0000019200000000, 0.0009237900000000 ] - [ 0.0000000000000000, 0.0000038500000000, 0.0009237900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009227900000000 ] - [ 0.0127089600000000, -0.0073375200000000, -0.0098215400000000 ] - [ -0.0127089600000000, -0.0073375200000000, -0.0098215400000000 ] - [ 0.0000000000000000, 0.0146750400000000, -0.0098215400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023252400000000 ] - [ 0.0000040100000000, -0.0000023200000000, 0.0009146200000000 ] - [ -0.0000040100000000, -0.0000023200000000, 0.0009146200000000 ] - [ 0.0000000000000000, 0.0000046300000000, 0.0009146200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009169800000000 ] - [ 0.0009008300000000, 0.0005200900000000, 0.0006093900000000 ] - [ -0.0009008300000000, 0.0005200900000000, 0.0006093900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007844900000000 ] - [ 0.0000000000000000, -0.0010401900000000, 0.0006093900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007159300000000 ] - [ 0.0000000000000000, -0.0000072000000000, 0.0007120200000000 ] - [ 0.0000062400000000, 0.0000036000000000, 0.0007120200000000 ] - [ -0.0000062400000000, 0.0000036000000000, 0.0007120200000000 ] - [ -0.0000006500000000, -0.0000003800000000, 0.0003056300000000 ] - [ 0.0000006500000000, -0.0000003800000000, 0.0003056300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003076700000000 ] - [ 0.0000000000000000, 0.0000007500000000, 0.0003056300000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000143700000000, 0.0000086000000000, -0.0004083600000000 ] - [ -0.0000146500000000, 0.0000098100000000, -0.0004083200000000 ] - [ -0.0000157200000000, 0.0000092500000000, -0.0004097500000000 ] - [ -0.0000136000000000, 0.0000087400000000, -0.0004077900000000 ] - [ -0.0000150000000000, 0.0000139200000000, 0.0003114700000000 ] - [ -0.0000144800000000, 0.0000045000000000, 0.0003622500000000 ] - [ -0.0000066900000000, 0.0000077600000000, 0.0003367400000000 ] - [ -0.0000239100000000, 0.0000080000000000, 0.0003373200000000 ] - [ 0.0004011000000000, -0.0000090100000000, 0.0000267300000000 ] - [ -0.0004846900000000, -0.0000094100000000, 0.0000230500000000 ] - [ 0.0000113400000000, 0.0002153300000000, -0.0004707600000000 ] - [ 0.0000116500000000, -0.0002344900000000, 0.0005218400000000 ] - [ 0.0000558000000000, -0.0000088500000000, 0.0004523200000000 ] - [ -0.0000246600000000, -0.0000093100000000, 0.0004510600000000 ] - [ 0.0000116900000000, 0.0000125800000000, 0.0002889200000000 ] - [ 0.0000112900000000, -0.0000292500000000, 0.0006143100000000 ] - [ -0.0000158800000000, 0.0000083200000000, 0.0004133000000000 ] - [ -0.0000149900000000, 0.0000101500000000, 0.0004143400000000 ] - [ -0.0000174100000000, 0.0000077100000000, 0.0004144400000000 ] - [ -0.0000148000000000, 0.0000091000000000, 0.0004137100000000 ] - [ 0.0003945100000000, 0.0000082700000000, 0.0001966000000000 ] - [ -0.0004321400000000, 0.0000098000000000, 0.0001949900000000 ] - [ 0.0000175700000000, 0.0002709700000000, 0.0001398600000000 ] - [ 0.0000205200000000, -0.0002497900000000, 0.0002510200000000 ] - [ -0.0000165200000000, 0.0000093400000000, -0.0001610400000000 ] - [ -0.0000147500000000, 0.0000092700000000, -0.0001603000000000 ] - [ -0.0000152700000000, 0.0000086100000000, -0.0001601200000000 ] - [ -0.0000157500000000, 0.0000097600000000, -0.0001611600000000 ] - [ -0.0000167000000000, 0.0000084200000000, -0.0001844200000000 ] - [ -0.0000153600000000, 0.0000100200000000, -0.0001836100000000 ] - [ -0.0000174700000000, 0.0000093200000000, -0.0001844400000000 ] - [ -0.0000138700000000, 0.0000107000000000, -0.0001839500000000 ] - [ -0.0002711400000000, 0.0000779600000000, 0.0065377200000000 ] - [ -0.0002834300000000, -0.0000932600000000, -0.0058116400000000 ] - [ -0.0001290500000000, -0.0000084100000000, 0.0003566000000000 ] - [ 0.0005702100000000, -0.0000106100000000, 0.0003645300000000 ] - [ -0.0000184400000000, 0.0000080200000000, -0.0003312800000000 ] - [ -0.0000123100000000, 0.0000091900000000, -0.0003314800000000 ] - [ -0.0000159100000000, 0.0000062100000000, -0.0003310200000000 ] - [ -0.0000140700000000, 0.0000093300000000, -0.0003310300000000 ] - [ -0.0001230400000000, -0.0000059600000000, 0.0000091300000000 ] - [ 0.0005673000000000, -0.0000113000000000, 0.0000073400000000 ] - [ -0.0002734600000000, 0.0000835600000000, 0.0014568600000000 ] - [ -0.0002785700000000, -0.0000933500000000, -0.0014489600000000 ] - [ -0.0000284600000000, 0.0000077800000000, 0.0004589500000000 ] - [ -0.0000001800000000, 0.0000082100000000, 0.0004590200000000 ] - [ -0.0000146000000000, -0.0000001100000000, 0.0004595100000000 ] - [ -0.0000138900000000, 0.0000165700000000, 0.0004580800000000 ] - [ 0.0000144800000000, -0.0000090700000000, -0.0007292000000000 ] - [ 0.0000151400000000, -0.0000068800000000, -0.0007259500000000 ] - [ 0.0000126900000000, -0.0000088700000000, -0.0007277300000000 ] - [ 0.0000166200000000, -0.0000083500000000, -0.0007285000000000 ] - [ 0.0000158200000000, -0.0000095100000000, -0.0005139800000000 ] - [ 0.0000153800000000, -0.0000085900000000, -0.0005144700000000 ] - [ 0.0000147500000000, -0.0000087200000000, -0.0005134800000000 ] - [ 0.0000161700000000, -0.0000090100000000, -0.0005153800000000 ] - [ 0.0000168100000000, -0.0000086900000000, -0.0002649100000000 ] - [ 0.0000143900000000, -0.0000079300000000, -0.0002644500000000 ] - [ 0.0000151800000000, -0.0000087100000000, -0.0002645100000000 ] - [ 0.0000162200000000, -0.0000103200000000, -0.0002650100000000 ] - [ -0.0000177000000000, 0.0000385700000000, 0.0000842500000000 ] - [ -0.0000186400000000, -0.0000227700000000, 0.0000592200000000 ] - [ 0.0000349400000000, 0.0000093700000000, 0.0000716700000000 ] - [ -0.0000646300000000, 0.0000087700000000, 0.0000716900000000 ] - [ -0.0717549700000000, 0.0010272300000000, -0.0008567000000000 ] - [ 0.0113669700000000, -0.0000110200000000, -0.0000812900000000 ] - [ -0.0005689900000000, -0.0068996900000000, -0.0032667800000000 ] - [ -0.0005846800000000, 0.0068742500000000, 0.0030928500000000 ] - [ 0.0000160100000000, -0.0000091400000000, -0.0005061700000000 ] - [ 0.0000150400000000, -0.0000099300000000, -0.0005067400000000 ] - [ 0.0000161100000000, -0.0000089900000000, -0.0005070000000000 ] - [ 0.0000146100000000, -0.0000094400000000, -0.0005062600000000 ] - [ 0.0000052100000000, -0.0000086800000000, 0.0000651400000000 ] - [ 0.0000075300000000, 0.0000039100000000, 0.0000170700000000 ] - [ -0.0000048300000000, -0.0000059800000000, 0.0000416100000000 ] - [ 0.0000132500000000, -0.0000047000000000, 0.0000390600000000 ] - [ -0.0000082000000000, 0.0000014800000000, -0.0003625500000000 ] - [ -0.0000038500000000, 0.0000028000000000, -0.0003604000000000 ] - [ -0.0000067400000000, 0.0000026800000000, -0.0003593900000000 ] - [ -0.0000045100000000, 0.0000051600000000, -0.0003626400000000 ] - [ 0.0029104200000000, 0.0000067400000000, 0.0004702200000000 ] - [ -0.0011875700000000, 0.0000020500000000, 0.0003329300000000 ] - [ 0.0000173800000000, 0.0007008400000000, 0.0010404200000000 ] - [ 0.0000188500000000, -0.0006918200000000, -0.0003729500000000 ] - [ 0.0000079900000000, 0.0000045400000000, -0.0000480600000000 ] - [ 0.0000029500000000, -0.0000067500000000, -0.0000457700000000 ] - [ 0.0000158900000000, -0.0000045300000000, -0.0000469300000000 ] - [ -0.0000046500000000, -0.0000072400000000, -0.0000469600000000 ] - [ 0.0304985700000000, -0.0167966100000000, 0.0125174400000000 ] - [ 0.0292537500000000, 0.0159191600000000, -0.0102930800000000 ] - [ 0.0015496300000000, -0.0001304900000000, 0.0007530000000000 ] - [ -0.0004769400000000, 0.0000082200000000, 0.0007985700000000 ] - [ -0.0000061200000000, 0.0000033800000000, 0.0001377100000000 ] - [ -0.0000055500000000, 0.0000028900000000, 0.0001367000000000 ] - [ -0.0000056300000000, 0.0000018600000000, 0.0001377500000000 ] - [ -0.0000065000000000, 0.0000018500000000, 0.0001352100000000 ] - [ -0.0000681300000000, -0.0000042000000000, -0.0001537400000000 ] - [ -0.0000393200000000, -0.0000042900000000, -0.0001515800000000 ] - [ 0.0002256600000000, -0.0001731600000000, 0.0005868900000000 ] - [ 0.0002251500000000, 0.0001661500000000, -0.0008908600000000 ] - [ 0.0000056000000000, -0.0000058800000000, 0.0002295200000000 ] - [ 0.0000054300000000, 0.0000003900000000, 0.0002225100000000 ] - [ 0.0000002000000000, -0.0000043300000000, 0.0002258900000000 ] - [ 0.0000105600000000, -0.0000044900000000, 0.0002265900000000 ] - [ 0.0000098800000000, -0.0000021800000000, -0.0002016800000000 ] - [ 0.0000010200000000, -0.0000041900000000, -0.0002105100000000 ] - [ 0.0000077500000000, -0.0000020600000000, -0.0002082600000000 ] - [ 0.0000040500000000, -0.0000072600000000, -0.0002077400000000 ] - [ 0.0000040300000000, -0.0000025600000000, -0.0008009300000000 ] - [ 0.0000067000000000, -0.0000030600000000, -0.0008003700000000 ] - [ 0.0000056400000000, -0.0000054700000000, -0.0008016100000000 ] - [ 0.0000049400000000, -0.0000032000000000, -0.0007996200000000 ] - [ -0.0000031900000000, 0.0000002400000000, -0.0004871000000000 ] - [ -0.0000092800000000, 0.0000037600000000, -0.0004856900000000 ] - [ -0.0000094500000000, 0.0000062000000000, -0.0004850600000000 ] - [ -0.0000032200000000, 0.0000028800000000, -0.0004869200000000 ] - [ 0.0006969100000000, 0.0000045400000000, 0.0001433100000000 ] - [ -0.0015624300000000, 0.0000011500000000, 0.0001507200000000 ] - [ -0.0000104700000000, 0.0004114200000000, 0.0010762000000000 ] - [ -0.0000135900000000, -0.0004071000000000, -0.0007807200000000 ] - [ -0.0000004600000000, -0.0000045100000000, 0.0005122000000000 ] - [ 0.0000112800000000, -0.0000051100000000, 0.0005067200000000 ] - [ 0.0000054700000000, -0.0000069000000000, 0.0005065100000000 ] - [ 0.0000045000000000, 0.0000001000000000, 0.0005129800000000 ] - [ -0.0000574300000000, -0.0000017100000000, 0.0001880900000000 ] - [ 0.0000957400000000, -0.0000044000000000, 0.0001893600000000 ] - [ 0.0000006100000000, -0.0000603000000000, 0.0002590400000000 ] - [ -0.0000041700000000, 0.0000522000000000, 0.0001198300000000 ] - [ 0.0000309600000000, 0.0000042800000000, 0.0005056900000000 ] - [ -0.0000411200000000, 0.0000065500000000, 0.0005083900000000 ] - [ -0.0000380800000000, 0.0000034700000000, 0.0009586900000000 ] - [ -0.0000334600000000, -0.0000026600000000, 0.0000569000000000 ] - [ -0.0000045200000000, 0.0000024800000000, -0.0001601500000000 ] - [ -0.0000073700000000, 0.0000022300000000, -0.0001625400000000 ] - [ -0.0000062600000000, 0.0000042900000000, -0.0001630600000000 ] - [ -0.0000061800000000, 0.0000026000000000, -0.0001560300000000 ] - [ -0.0000061400000000, 0.0000192800000000, 0.0003548200000000 ] - [ -0.0000070000000000, -0.0000118800000000, 0.0002364200000000 ] - [ 0.0000203800000000, 0.0000031400000000, 0.0002953800000000 ] - [ -0.0000390900000000, 0.0000021000000000, 0.0002952000000000 ] - [ 0.0000035500000000, -0.0000006600000000, -0.0000969100000000 ] - [ 0.0000073800000000, -0.0000073100000000, -0.0000954800000000 ] - [ 0.0000114700000000, -0.0000041700000000, -0.0000888700000000 ] - [ -0.0000002900000000, -0.0000017000000000, -0.0001002700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000007300000000, 0.0000206600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000220300000000 ] - [ 0.0000006300000000, -0.0000003700000000, 0.0000206600000000 ] - [ -0.0000006300000000, -0.0000003700000000, 0.0000206600000000 ] - [ -0.0000017400000000, 0.0000010000000000, 0.0007625400000000 ] - [ 0.0000017400000000, 0.0000010000000000, 0.0007625400000000 ] - [ 0.0000000000000000, -0.0000020100000000, 0.0007625400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007527500000000 ] - [ 0.0000000000000000, 0.0000872100000000, 0.0005191900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001574500000000 ] - [ 0.0000755300000000, -0.0000436100000000, 0.0005191900000000 ] - [ -0.0000755300000000, -0.0000436100000000, 0.0005191900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008476300000000 ] - [ 0.0000000000000000, 0.0000180200000000, 0.0008623200000000 ] - [ -0.0000156000000000, -0.0000090100000000, 0.0008623200000000 ] - [ 0.0000156000000000, -0.0000090100000000, 0.0008623200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007946000000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0008045200000000 ] - [ 0.0000001100000000, 0.0000000600000000, 0.0008045200000000 ] - [ -0.0000001100000000, 0.0000000600000000, 0.0008045200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014326600000000 ] - [ 0.0000000000000000, 0.0007933600000000, 0.0003913900000000 ] - [ -0.0006870700000000, -0.0003966800000000, 0.0003913900000000 ] - [ 0.0006870700000000, -0.0003966800000000, 0.0003913900000000 ] - [ -0.0000022600000000, 0.0000013100000000, 0.0002435300000000 ] - [ 0.0000022600000000, 0.0000013100000000, 0.0002435300000000 ] - [ 0.0000000000000000, -0.0000026100000000, 0.0002435300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002421300000000 ] - [ 0.0000000000000000, 0.0000007800000000, 0.0002208200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002219200000000 ] - [ 0.0000006800000000, -0.0000003900000000, 0.0002208200000000 ] - [ -0.0000006800000000, -0.0000003900000000, 0.0002208200000000 ] - [ 0.0014849300000000, -0.0008573300000000, 0.0017888900000000 ] - [ -0.0014849300000000, -0.0008573300000000, 0.0017888900000000 ] - [ 0.0000000000000000, 0.0017146500000000, 0.0017888900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004783700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001084400000000 ] - [ 0.0000000000000000, 0.0000007800000000, 0.0001030200000000 ] - [ -0.0000006700000000, -0.0000003900000000, 0.0001030200000000 ] - [ 0.0000006700000000, -0.0000003900000000, 0.0001030200000000 ] - [ 0.0000000000000000, 0.0070930600000000, 0.0014172800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008556300000000 ] - [ 0.0061427700000000, -0.0035465300000000, 0.0014172800000000 ] - [ -0.0061427700000000, -0.0035465300000000, 0.0014172800000000 ] - [ 0.0000000000000000, 0.0000146000000000, 0.0008739000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008813100000000 ] - [ 0.0000126400000000, -0.0000073000000000, 0.0008739000000000 ] - [ -0.0000126400000000, -0.0000073000000000, 0.0008739000000000 ] - [ 0.0000010600000000, -0.0000006100000000, -0.0003232300000000 ] - [ -0.0000010600000000, -0.0000006100000000, -0.0003232300000000 ] - [ 0.0000000000000000, 0.0000012200000000, -0.0003232300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003274500000000 ] - [ 0.0000004800000000, -0.0000002700000000, -0.0000881400000000 ] - [ -0.0000004800000000, -0.0000002700000000, -0.0000881400000000 ] - [ 0.0000000000000000, 0.0000005500000000, -0.0000881400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000870300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001352200000000 ] - [ 0.0000000000000000, 0.0000012600000000, 0.0001325800000000 ] - [ -0.0000010900000000, -0.0000006300000000, 0.0001325800000000 ] - [ 0.0000010900000000, -0.0000006300000000, 0.0001325800000000 ] - [ 0.0000266400000000, -0.0000153800000000, 0.0004693200000000 ] - [ -0.0000266400000000, -0.0000153800000000, 0.0004693200000000 ] - [ 0.0000000000000000, 0.0000307600000000, 0.0004693200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005535700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0742846800000000 ] - [ 0.0000000000000000, 0.0036792900000000, -0.0062120100000000 ] - [ -0.0031863600000000, -0.0018396400000000, -0.0062120100000000 ] - [ 0.0031863600000000, -0.0018396400000000, -0.0062120100000000 ] - [ 0.0000000000000000, 0.0000013600000000, -0.0000631400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000640100000000 ] - [ 0.0000011800000000, -0.0000006800000000, -0.0000631400000000 ] - [ -0.0000011800000000, -0.0000006800000000, -0.0000631400000000 ] - [ -0.0000103800000000, 0.0000059900000000, -0.0003939900000000 ] - [ 0.0000103800000000, 0.0000059900000000, -0.0003939900000000 ] - [ 0.0000000000000000, -0.0000119900000000, -0.0003939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003468800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007820100000000 ] - [ 0.0000000000000000, 0.0000003700000000, -0.0007812500000000 ] - [ -0.0000003200000000, -0.0000001800000000, -0.0007812500000000 ] - [ 0.0000003200000000, -0.0000001800000000, -0.0007812500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0460562800000000 ] - [ 0.0000000000000000, -0.0000840300000000, 0.0029809200000000 ] - [ 0.0000727700000000, 0.0000420200000000, 0.0029809200000000 ] - [ -0.0000727700000000, 0.0000420200000000, 0.0029809200000000 ] - [ 0.0000000000000000, 0.0000088500000000, -0.0004247400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004155800000000 ] - [ 0.0000076600000000, -0.0000044200000000, -0.0004247400000000 ] - [ -0.0000076600000000, -0.0000044200000000, -0.0004247400000000 ] - [ 0.0127633400000000, -0.0073689200000000, 0.0106961000000000 ] - [ -0.0127633400000000, -0.0073689200000000, 0.0106961000000000 ] - [ 0.0000000000000000, 0.0147378400000000, 0.0106961000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032885800000000 ] - [ 0.0000000000000000, -0.0000008400000000, -0.0002873300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002849000000000 ] - [ -0.0000007300000000, 0.0000004200000000, -0.0002873300000000 ] - [ 0.0000007300000000, 0.0000004200000000, -0.0002873300000000 ] - [ 0.0000000000000000, -0.0010524800000000, -0.0009337300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004653000000000 ] - [ -0.0009114800000000, 0.0005262400000000, -0.0009337300000000 ] - [ 0.0009114800000000, 0.0005262400000000, -0.0009337300000000 ] - [ -0.0000043000000000, 0.0000024800000000, -0.0001872700000000 ] - [ 0.0000043000000000, 0.0000024800000000, -0.0001872700000000 ] - [ 0.0000000000000000, -0.0000049700000000, -0.0001872700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001913400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006088500000000 ] - [ 0.0000000000000000, -0.0000025800000000, -0.0006206000000000 ] - [ 0.0000022300000000, 0.0000012900000000, -0.0006206000000000 ] - [ -0.0000022300000000, 0.0000012900000000, -0.0006206000000000 ] - [ 0.0000038200000000, -0.0000022100000000, -0.0012226800000000 ] - [ -0.0000038200000000, -0.0000022100000000, -0.0012226800000000 ] - [ 0.0000000000000000, 0.0000044100000000, -0.0012226800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012206400000000 ] - [ -0.0000000300000000, 0.0000000100000000, -0.0008803200000000 ] - [ 0.0000000300000000, 0.0000000100000000, -0.0008803200000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0008803200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008797700000000 ] - [ 0.0000000000000000, 0.0002619500000000, -0.0001736800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007445200000000 ] - [ 0.0002268600000000, -0.0001309700000000, -0.0001736800000000 ] - [ -0.0002268600000000, -0.0001309700000000, -0.0001736800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000853600000000 ] - [ 0.0000000000000000, 0.0000011400000000, 0.0000817100000000 ] - [ -0.0000009800000000, -0.0000005700000000, 0.0000817100000000 ] - [ 0.0000009800000000, -0.0000005700000000, 0.0000817100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001195400000000 ] - [ 0.0000000000000000, -0.0001644300000000, -0.0002334200000000 ] - [ 0.0001424000000000, 0.0000822200000000, -0.0002334200000000 ] - [ -0.0001424000000000, 0.0000822200000000, -0.0002334200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001657800000000 ] - [ 0.0000000000000000, 0.0000484300000000, 0.0000951300000000 ] - [ -0.0000419400000000, -0.0000242100000000, 0.0000951300000000 ] - [ 0.0000419400000000, -0.0000242100000000, 0.0000951300000000 ] - [ 0.0000000000000000, -0.0000043500000000, -0.0005827900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005833000000000 ] - [ -0.0000037700000000, 0.0000021800000000, -0.0005827900000000 ] - [ 0.0000037700000000, 0.0000021800000000, -0.0005827900000000 ] - [ -0.0000030500000000, 0.0000017600000000, -0.0001340100000000 ] - [ 0.0000030500000000, 0.0000017600000000, -0.0001340100000000 ] - [ 0.0000000000000000, -0.0000035200000000, -0.0001340100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001016800000000 ] - [ 0.0000000000000000, 0.0000031400000000, -0.0005206900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005262800000000 ] - [ 0.0000027200000000, -0.0000015700000000, -0.0005206900000000 ] - [ -0.0000027200000000, -0.0000015700000000, -0.0005206900000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000003100000000, -0.0008223900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008214900000000 ] - [ -0.0000002700000000, 0.0000001500000000, -0.0008223900000000 ] - [ 0.0000002700000000, 0.0000001500000000, -0.0008223900000000 ] - [ -0.0000024400000000, 0.0000014100000000, -0.0000790100000000 ] - [ 0.0000024400000000, 0.0000014100000000, -0.0000790100000000 ] - [ 0.0000000000000000, -0.0000028200000000, -0.0000790100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000711500000000 ] - [ 0.0000000000000000, -0.0000868200000000, -0.0005175300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001636100000000 ] - [ -0.0000751900000000, 0.0000434100000000, -0.0005175300000000 ] - [ 0.0000751900000000, 0.0000434100000000, -0.0005175300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000416000000000 ] - [ 0.0000000000000000, -0.0000164800000000, 0.0000271400000000 ] - [ 0.0000142700000000, 0.0000082400000000, 0.0000271400000000 ] - [ -0.0000142700000000, 0.0000082400000000, 0.0000271400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000011800000000 ] - [ 0.0000000000000000, -0.0000002500000000, -0.0000059900000000 ] - [ 0.0000002200000000, 0.0000001300000000, -0.0000059900000000 ] - [ -0.0000002200000000, 0.0000001300000000, -0.0000059900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010484800000000 ] - [ 0.0000000000000000, -0.0007889400000000, -0.0000135300000000 ] - [ 0.0006832500000000, 0.0003944700000000, -0.0000135300000000 ] - [ -0.0006832500000000, 0.0003944700000000, -0.0000135300000000 ] - [ 0.0000002300000000, -0.0000001300000000, -0.0005757000000000 ] - [ -0.0000002300000000, -0.0000001300000000, -0.0005757000000000 ] - [ 0.0000000000000000, 0.0000002700000000, -0.0005757000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005760900000000 ] - [ 0.0000000000000000, -0.0000006500000000, -0.0006034100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006040100000000 ] - [ -0.0000005600000000, 0.0000003200000000, -0.0006034100000000 ] - [ 0.0000005600000000, 0.0000003200000000, -0.0006034100000000 ] - [ -0.0014619500000000, 0.0008440600000000, -0.0010501700000000 ] - [ 0.0014619500000000, 0.0008440600000000, -0.0010501700000000 ] - [ 0.0000000000000000, -0.0016881200000000, -0.0010501700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012018400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007473400000000 ] - [ 0.0000000000000000, 0.0000011000000000, -0.0007413800000000 ] - [ -0.0000009500000000, -0.0000005500000000, -0.0007413800000000 ] - [ 0.0000009500000000, -0.0000005500000000, -0.0007413800000000 ] - [ 0.0000000000000000, -0.0070967400000000, -0.0014224300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008739000000000 ] - [ -0.0061459600000000, 0.0035483700000000, -0.0014224300000000 ] - [ 0.0061459600000000, 0.0035483700000000, -0.0014224300000000 ] - [ 0.0000000000000000, -0.0000153800000000, 0.0000482500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000401800000000 ] - [ -0.0000133200000000, 0.0000076900000000, 0.0000482500000000 ] - [ 0.0000133200000000, 0.0000076900000000, 0.0000482500000000 ] - [ -0.0000007700000000, 0.0000004500000000, -0.0011488900000000 ] - [ 0.0000007700000000, 0.0000004500000000, -0.0011488900000000 ] - [ 0.0000000000000000, -0.0000008900000000, -0.0011488900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011460400000000 ] - [ 0.0000003600000000, -0.0000002100000000, -0.0009247300000000 ] - [ -0.0000003600000000, -0.0000002100000000, -0.0009247300000000 ] - [ 0.0000000000000000, 0.0000004200000000, -0.0009247300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009256700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006905200000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0006859300000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0006859300000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0006859300000000 ] - [ -0.0000274700000000, 0.0000158600000000, -0.0003283900000000 ] - [ 0.0000274700000000, 0.0000158600000000, -0.0003283900000000 ] - [ 0.0000000000000000, -0.0000317100000000, -0.0003283900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004133000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0769859900000000 ] - [ 0.0000000000000000, -0.0036670800000000, 0.0060968300000000 ] - [ 0.0031757900000000, 0.0018335400000000, 0.0060968300000000 ] - [ -0.0031757900000000, 0.0018335400000000, 0.0060968300000000 ] - [ 0.0000000000000000, 0.0000003900000000, -0.0009170700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009176700000000 ] - [ 0.0000003400000000, -0.0000002000000000, -0.0009170700000000 ] - [ -0.0000003400000000, -0.0000002000000000, -0.0009170700000000 ] - [ 0.0000098700000000, -0.0000057000000000, 0.0004643100000000 ] - [ -0.0000098700000000, -0.0000057000000000, 0.0004643100000000 ] - [ 0.0000000000000000, 0.0000114000000000, 0.0004643100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004213800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000457200000000 ] - [ 0.0000000000000000, 0.0000008500000000, 0.0000457900000000 ] - [ -0.0000007300000000, -0.0000004200000000, 0.0000457900000000 ] - [ 0.0000007300000000, -0.0000004200000000, 0.0000457900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0479973000000000 ] - [ 0.0000000000000000, 0.0000810300000000, -0.0023231000000000 ] - [ -0.0000701700000000, -0.0000405100000000, -0.0023231000000000 ] - [ 0.0000701700000000, -0.0000405100000000, -0.0023231000000000 ] - [ 0.0000000000000000, 0.0000064800000000, 0.0003883300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003941700000000 ] - [ 0.0000056100000000, -0.0000032400000000, 0.0003883300000000 ] - [ -0.0000056100000000, -0.0000032400000000, 0.0003883300000000 ] - [ -0.0126986300000000, 0.0073315600000000, -0.0092155400000000 ] - [ 0.0126986300000000, 0.0073315600000000, -0.0092155400000000 ] - [ 0.0000000000000000, -0.0146631100000000, -0.0092155400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017230800000000 ] - [ 0.0000000000000000, 0.0000002700000000, 0.0005374500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005385200000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0005374500000000 ] - [ -0.0000002400000000, -0.0000001400000000, 0.0005374500000000 ] - [ 0.0000000000000000, 0.0010485600000000, 0.0005981100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007951800000000 ] - [ 0.0009080800000000, -0.0005242800000000, 0.0005981100000000 ] - [ -0.0009080800000000, -0.0005242800000000, 0.0005981100000000 ] - [ -0.0000006500000000, 0.0000003700000000, 0.0006333800000000 ] - [ 0.0000006500000000, 0.0000003700000000, 0.0006333800000000 ] - [ 0.0000000000000000, -0.0000007500000000, 0.0006333800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006337100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002094100000000 ] - [ 0.0000000000000000, -0.0000017600000000, 0.0002077400000000 ] - [ 0.0000015200000000, 0.0000008800000000, 0.0002077400000000 ] - [ -0.0000015200000000, 0.0000008800000000, 0.0002077400000000 ] - [ 0.0000034500000000, -0.0000019900000000, -0.0003829000000000 ] - [ -0.0000034500000000, -0.0000019900000000, -0.0003829000000000 ] - [ 0.0000000000000000, 0.0000039900000000, -0.0003829000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003787400000000 ] - [ 0.0000015100000000, -0.0000008700000000, -0.0000586600000000 ] - [ -0.0000015100000000, -0.0000008700000000, -0.0000586600000000 ] - [ 0.0000000000000000, 0.0000017400000000, -0.0000586600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000578000000000 ] - [ 0.0000000000000000, -0.0002565500000000, 0.0004745800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004324600000000 ] - [ -0.0002221800000000, 0.0001282800000000, 0.0004745800000000 ] - [ 0.0002221800000000, 0.0001282800000000, 0.0004745800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009206100000000 ] - [ 0.0000000000000000, 0.0000027600000000, 0.0009146000000000 ] - [ -0.0000023900000000, -0.0000013800000000, 0.0009146000000000 ] - [ 0.0000023900000000, -0.0000013800000000, 0.0009146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005396500000000 ] - [ 0.0000000000000000, 0.0001661000000000, 0.0006495000000000 ] - [ -0.0001438500000000, -0.0000830500000000, 0.0006495000000000 ] - [ 0.0001438500000000, -0.0000830500000000, 0.0006495000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009117800000000 ] - [ 0.0000000000000000, -0.0000460300000000, 0.0009684500000000 ] - [ 0.0000398600000000, 0.0000230100000000, 0.0009684500000000 ] - [ -0.0000398600000000, 0.0000230100000000, 0.0009684500000000 ] - [ 0.0000000000000000, 0.0000017200000000, 0.0002509900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002506400000000 ] - [ 0.0000014900000000, -0.0000008600000000, 0.0002509900000000 ] - [ -0.0000014900000000, -0.0000008600000000, 0.0002509900000000 ] - [ -0.0000082100000000, 0.0000047400000000, 0.0007114600000000 ] - [ 0.0000082100000000, 0.0000047400000000, 0.0007114600000000 ] - [ 0.0000000000000000, -0.0000094800000000, 0.0007114600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006919100000000 ] - [ 0.0000000000000000, 0.0000013000000000, 0.0003030700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003003500000000 ] - [ 0.0000011200000000, -0.0000006500000000, 0.0003030700000000 ] - [ -0.0000011200000000, -0.0000006500000000, 0.0003030700000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000156300000000, 0.0000089700000000, -0.0004091700000000 ] - [ -0.0000110900000000, 0.0000091000000000, -0.0004089000000000 ] - [ -0.0000135500000000, 0.0000077300000000, -0.0004091900000000 ] - [ -0.0000134400000000, 0.0000104500000000, -0.0004085100000000 ] - [ -0.0000136100000000, 0.0000084800000000, 0.0003385200000000 ] - [ -0.0000135300000000, 0.0000087500000000, 0.0003384800000000 ] - [ -0.0000138800000000, 0.0000084800000000, 0.0003385600000000 ] - [ -0.0000133500000000, 0.0000085100000000, 0.0003385800000000 ] - [ 0.0000155900000000, -0.0000092500000000, 0.0000112400000000 ] - [ 0.0000166200000000, -0.0000092700000000, 0.0000112500000000 ] - [ 0.0000161800000000, -0.0000094900000000, 0.0000112700000000 ] - [ 0.0000161700000000, -0.0000089300000000, 0.0000112200000000 ] - [ 0.0000164400000000, -0.0000086200000000, 0.0004514100000000 ] - [ 0.0000164900000000, -0.0000087300000000, 0.0004514000000000 ] - [ 0.0000164500000000, -0.0000085300000000, 0.0004514000000000 ] - [ 0.0000164300000000, -0.0000086200000000, 0.0004513400000000 ] - [ 0.0000350400000000, 0.0000087200000000, 0.0004027400000000 ] - [ -0.0000636200000000, 0.0000089400000000, 0.0004027800000000 ] - [ -0.0000177500000000, 0.0000392100000000, 0.0004157700000000 ] - [ -0.0000175000000000, -0.0000215400000000, 0.0003898700000000 ] - [ -0.0000128400000000, 0.0000097100000000, 0.0001937800000000 ] - [ -0.0000151100000000, 0.0000097400000000, 0.0001938600000000 ] - [ -0.0000138600000000, 0.0000102500000000, 0.0001992900000000 ] - [ -0.0000138200000000, 0.0000091900000000, 0.0001883100000000 ] - [ -0.0000144700000000, 0.0000176500000000, -0.0001621400000000 ] - [ -0.0000143300000000, 0.0000008000000000, -0.0001617600000000 ] - [ -0.0000002500000000, 0.0000091400000000, -0.0001619400000000 ] - [ -0.0000289800000000, 0.0000092700000000, -0.0001620100000000 ] - [ 0.0003957100000000, 0.0000089400000000, -0.0001857200000000 ] - [ -0.0004321100000000, 0.0000097600000000, -0.0001867700000000 ] - [ 0.0000183700000000, 0.0002705800000000, -0.0002420400000000 ] - [ 0.0000203300000000, -0.0002506600000000, -0.0001307700000000 ] - [ 0.0000171400000000, -0.0000089000000000, 0.0003615000000000 ] - [ 0.0000170500000000, -0.0000089700000000, 0.0003612900000000 ] - [ 0.0000172400000000, -0.0000089400000000, 0.0003614700000000 ] - [ 0.0000170000000000, -0.0000089800000000, 0.0003613700000000 ] - [ -0.0000143800000000, 0.0000080700000000, -0.0003272800000000 ] - [ -0.0000131800000000, 0.0000081400000000, -0.0003272300000000 ] - [ -0.0000139900000000, 0.0000079200000000, -0.0003271900000000 ] - [ -0.0000139000000000, 0.0000084200000000, -0.0003272300000000 ] - [ 0.0000172700000000, -0.0000087600000000, 0.0000097200000000 ] - [ 0.0000161100000000, -0.0000088000000000, 0.0000099200000000 ] - [ 0.0000166300000000, -0.0000084100000000, 0.0000107900000000 ] - [ 0.0000165800000000, -0.0000090300000000, 0.0000091500000000 ] - [ -0.0000091500000000, 0.0000080100000000, 0.0004635300000000 ] - [ -0.0000161400000000, 0.0000082100000000, 0.0004621300000000 ] - [ -0.0000183600000000, 0.0000068400000000, 0.0002945800000000 ] - [ -0.0000181700000000, 0.0000092600000000, 0.0006296200000000 ] - [ 0.0000122000000000, -0.0002345800000000, -0.0002339700000000 ] - [ 0.0000116600000000, 0.0002184400000000, -0.0012262200000000 ] - [ -0.0004868900000000, -0.0000086700000000, -0.0007328200000000 ] - [ 0.0004043100000000, -0.0000086200000000, -0.0007295200000000 ] - [ -0.0002776300000000, -0.0000935000000000, -0.0019677300000000 ] - [ -0.0002723700000000, 0.0000834900000000, 0.0009378800000000 ] - [ 0.0005686600000000, -0.0000116400000000, -0.0005110000000000 ] - [ -0.0001217800000000, -0.0000060800000000, -0.0005086900000000 ] - [ -0.0001304400000000, -0.0000081500000000, -0.0002791700000000 ] - [ 0.0005729800000000, -0.0000098200000000, -0.0002710500000000 ] - [ -0.0002707500000000, 0.0000762000000000, 0.0059018800000000 ] - [ -0.0002821100000000, -0.0000923200000000, -0.0064474000000000 ] - [ -0.0000143100000000, 0.0000168000000000, 0.0000749500000000 ] - [ -0.0000143100000000, -0.0000000800000000, 0.0000489100000000 ] - [ -0.0000002100000000, 0.0000084700000000, 0.0000619000000000 ] - [ -0.0000289200000000, 0.0000084700000000, 0.0000619700000000 ] - [ 0.0000173600000000, -0.0000093000000000, -0.0000807100000000 ] - [ 0.0000172300000000, -0.0000093200000000, -0.0000806400000000 ] - [ 0.0000173300000000, -0.0000093700000000, -0.0000808400000000 ] - [ 0.0000173200000000, -0.0000093400000000, -0.0000805800000000 ] - [ -0.0719177800000000, 0.0010267500000000, -0.0011218500000000 ] - [ 0.0113681400000000, -0.0000112800000000, -0.0004958600000000 ] - [ -0.0005687200000000, -0.0068996700000000, -0.0036809200000000 ] - [ -0.0005840000000000, 0.0068748900000000, 0.0026776100000000 ] - [ 0.0000055400000000, 0.0000181900000000, 0.0000127400000000 ] - [ 0.0000080100000000, -0.0000238300000000, 0.0000596100000000 ] - [ 0.0000384200000000, -0.0000056000000000, 0.0000363800000000 ] - [ -0.0000297100000000, -0.0000041800000000, 0.0000345300000000 ] - [ 0.0015496000000000, -0.0001330200000000, -0.0004178700000000 ] - [ -0.0004740400000000, 0.0000041600000000, -0.0003705100000000 ] - [ 0.0305012900000000, -0.0167945200000000, 0.0113433500000000 ] - [ 0.0292536000000000, 0.0159227000000000, -0.0114625400000000 ] - [ -0.0000062200000000, 0.0000030400000000, 0.0003279400000000 ] - [ -0.0000032400000000, 0.0000023600000000, 0.0003267400000000 ] - [ -0.0000040700000000, 0.0000016500000000, 0.0003279000000000 ] - [ -0.0000053200000000, 0.0000032700000000, 0.0003289800000000 ] - [ -0.0000567900000000, -0.0000021900000000, -0.0000233600000000 ] - [ 0.0000962500000000, -0.0000037600000000, -0.0000241100000000 ] - [ 0.0000003900000000, -0.0000602400000000, 0.0000447600000000 ] - [ -0.0000026500000000, 0.0000522400000000, -0.0000925200000000 ] - [ -0.0000060500000000, 0.0000022800000000, 0.0007811100000000 ] - [ -0.0000041000000000, 0.0000019000000000, 0.0007800600000000 ] - [ -0.0000047600000000, 0.0000039200000000, 0.0007800000000000 ] - [ -0.0000055100000000, 0.0000049500000000, 0.0007799400000000 ] - [ 0.0029158000000000, 0.0000053900000000, 0.0002601000000000 ] - [ -0.0011880600000000, 0.0000028500000000, 0.0001250600000000 ] - [ 0.0000163500000000, 0.0007016700000000, 0.0008315400000000 ] - [ 0.0000219800000000, -0.0006925800000000, -0.0005869400000000 ] - [ 0.0000076000000000, -0.0000037400000000, -0.0001542600000000 ] - [ 0.0000047900000000, -0.0000040600000000, -0.0001539500000000 ] - [ 0.0000067400000000, -0.0000025400000000, -0.0001551200000000 ] - [ 0.0000062000000000, -0.0000043000000000, -0.0001525700000000 ] - [ 0.0000065400000000, -0.0000055500000000, 0.0002182600000000 ] - [ 0.0000062300000000, -0.0000015100000000, 0.0002109500000000 ] - [ 0.0000036000000000, -0.0000035300000000, 0.0002142300000000 ] - [ 0.0000097700000000, -0.0000037100000000, 0.0002147400000000 ] - [ -0.0000009900000000, -0.0000038800000000, -0.0001988000000000 ] - [ 0.0000132200000000, -0.0000039400000000, -0.0001996000000000 ] - [ 0.0000082600000000, -0.0000092000000000, -0.0001762100000000 ] - [ 0.0000080600000000, 0.0000012800000000, -0.0002225600000000 ] - [ 0.0002259100000000, 0.0001674700000000, -0.0015361500000000 ] - [ 0.0002270000000000, -0.0001748800000000, -0.0000589300000000 ] - [ -0.0000352200000000, -0.0000042600000000, -0.0007975600000000 ] - [ -0.0000699500000000, -0.0000035600000000, -0.0007980500000000 ] - [ -0.0000102200000000, -0.0004004500000000, -0.0013998000000000 ] - [ -0.0000121200000000, 0.0004068800000000, 0.0004542200000000 ] - [ -0.0015516800000000, 0.0000022000000000, -0.0004646800000000 ] - [ 0.0006880200000000, 0.0000027500000000, -0.0004755300000000 ] - [ -0.0000035500000000, 0.0000033900000000, 0.0001484000000000 ] - [ -0.0000059200000000, 0.0000028800000000, 0.0001480000000000 ] - [ -0.0000044400000000, 0.0000032800000000, 0.0001487000000000 ] - [ -0.0000052500000000, 0.0000019400000000, 0.0001491300000000 ] - [ 0.0000077100000000, -0.0000049200000000, 0.0005020400000000 ] - [ 0.0000050900000000, -0.0000049000000000, 0.0005003100000000 ] - [ 0.0000063200000000, -0.0000024900000000, 0.0005010200000000 ] - [ 0.0000063700000000, -0.0000039900000000, 0.0005027400000000 ] - [ 0.0000071400000000, -0.0000029000000000, 0.0001978800000000 ] - [ 0.0000071200000000, -0.0000046000000000, 0.0001986500000000 ] - [ 0.0000081700000000, -0.0000030500000000, 0.0001838100000000 ] - [ 0.0000051600000000, -0.0000036800000000, 0.0002137100000000 ] - [ -0.0000039500000000, 0.0000033000000000, 0.0005315500000000 ] - [ -0.0000057000000000, 0.0000038300000000, 0.0005324500000000 ] - [ -0.0000052900000000, 0.0000028300000000, 0.0005326800000000 ] - [ -0.0000042700000000, 0.0000019800000000, 0.0005332400000000 ] - [ 0.0000341100000000, 0.0000030700000000, -0.0001633600000000 ] - [ -0.0000430600000000, 0.0000020800000000, -0.0001642400000000 ] - [ -0.0000352700000000, 0.0000073500000000, 0.0002914300000000 ] - [ -0.0000363300000000, -0.0000008900000000, -0.0006158300000000 ] - [ -0.0000048000000000, 0.0000026300000000, 0.0002947700000000 ] - [ -0.0000059300000000, 0.0000021700000000, 0.0002933100000000 ] - [ -0.0000048400000000, 0.0000044100000000, 0.0002931000000000 ] - [ -0.0000056300000000, 0.0000035100000000, 0.0002928800000000 ] - [ 0.0000060100000000, -0.0000032100000000, -0.0001111400000000 ] - [ 0.0000073500000000, -0.0000050700000000, -0.0001105100000000 ] - [ 0.0000083700000000, -0.0000031400000000, -0.0001108100000000 ] - [ 0.0000050600000000, -0.0000024900000000, -0.0001098700000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000032900000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0000077100000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0000077100000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0000077100000000 ] - [ -0.0000001400000000, -0.0000000800000000, 0.0007558000000000 ] - [ 0.0000001400000000, -0.0000000800000000, 0.0007558000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007559800000000 ] - [ 0.0000000000000000, 0.0000001600000000, 0.0007558000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004244800000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0004257100000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0004257100000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0004257100000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0008751300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008754000000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0008751300000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0008751300000000 ] - [ 0.0000000000000000, 0.0000319200000000, 0.0008002900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008849400000000 ] - [ 0.0000276400000000, -0.0000159600000000, 0.0008002900000000 ] - [ -0.0000276400000000, -0.0000159600000000, 0.0008002900000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0006192600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006180000000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0006192600000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0006192600000000 ] - [ -0.0000129800000000, -0.0000074900000000, 0.0002543900000000 ] - [ 0.0000129800000000, -0.0000074900000000, 0.0002543900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002625000000000 ] - [ 0.0000000000000000, 0.0000149900000000, 0.0002543900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010565800000000 ] - [ 0.0000000000000000, 0.0007925400000000, 0.0000234100000000 ] - [ -0.0006863600000000, -0.0003962700000000, 0.0000234100000000 ] - [ 0.0006863600000000, -0.0003962700000000, 0.0000234100000000 ] - [ -0.0000000400000000, -0.0000000300000000, 0.0007785900000000 ] - [ 0.0000000400000000, -0.0000000300000000, 0.0007785900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007787200000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0007785900000000 ] - [ 0.0000000000000000, 0.0000005500000000, 0.0000901200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000902800000000 ] - [ 0.0000004800000000, -0.0000002800000000, 0.0000901200000000 ] - [ -0.0000004800000000, -0.0000002800000000, 0.0000901200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004260700000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0004266900000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0004266900000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0004266900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008788300000000 ] - [ 0.0000000000000000, 0.0000183500000000, 0.0008845500000000 ] - [ -0.0000158900000000, -0.0000091800000000, 0.0008845500000000 ] - [ 0.0000158900000000, -0.0000091800000000, 0.0008845500000000 ] - [ -0.0000757800000000, -0.0000437500000000, -0.0001851600000000 ] - [ 0.0000757800000000, -0.0000437500000000, -0.0001851600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005444100000000 ] - [ 0.0000000000000000, 0.0000875100000000, -0.0001851600000000 ] - [ -0.0061428400000000, -0.0035465700000000, 0.0008940500000000 ] - [ 0.0061428400000000, -0.0035465700000000, 0.0008940500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013796200000000 ] - [ 0.0000000000000000, 0.0070931400000000, 0.0008940500000000 ] - [ 0.0000000000000000, 0.0017142800000000, 0.0011453200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011236500000000 ] - [ 0.0014846100000000, -0.0008571400000000, 0.0011453200000000 ] - [ -0.0014846100000000, -0.0008571400000000, 0.0011453200000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0004771800000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0004771800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004850400000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0004771800000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0003373100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003371900000000 ] - [ -0.0000001100000000, 0.0000000600000000, 0.0003373100000000 ] - [ 0.0000001100000000, 0.0000000600000000, 0.0003373100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0749493600000000 ] - [ 0.0000000000000000, 0.0036802200000000, -0.0066677500000000 ] - [ -0.0031871600000000, -0.0018401100000000, -0.0066677500000000 ] - [ 0.0031871600000000, -0.0018401100000000, -0.0066677500000000 ] - [ -0.0000019600000000, -0.0000011300000000, -0.0003726500000000 ] - [ 0.0000019600000000, -0.0000011300000000, -0.0003726500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003971100000000 ] - [ 0.0000000000000000, 0.0000022700000000, -0.0003726500000000 ] - [ 0.0000000000000000, 0.0147349000000000, 0.0095457900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021375600000000 ] - [ 0.0127608000000000, -0.0073674500000000, 0.0095457900000000 ] - [ -0.0127608000000000, -0.0073674500000000, 0.0095457900000000 ] - [ 0.0000000000000000, -0.0000016600000000, -0.0000865000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000872300000000 ] - [ -0.0000014400000000, 0.0000008300000000, -0.0000865000000000 ] - [ 0.0000014400000000, 0.0000008300000000, -0.0000865000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003561300000000 ] - [ 0.0000000000000000, -0.0001682300000000, -0.0004682000000000 ] - [ 0.0001456900000000, 0.0000841200000000, -0.0004682000000000 ] - [ -0.0001456900000000, 0.0000841200000000, -0.0004682000000000 ] - [ -0.0000008900000000, -0.0000005100000000, 0.0003694000000000 ] - [ 0.0000008900000000, -0.0000005100000000, 0.0003694000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003695600000000 ] - [ 0.0000000000000000, 0.0000010300000000, 0.0003694000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0458593400000000 ] - [ 0.0000000000000000, -0.0000877500000000, 0.0027906400000000 ] - [ 0.0000760000000000, 0.0000438800000000, 0.0027906400000000 ] - [ -0.0000760000000000, 0.0000438800000000, 0.0027906400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005621700000000 ] - [ 0.0000000000000000, 0.0000022100000000, -0.0005645700000000 ] - [ -0.0000019200000000, -0.0000011100000000, -0.0005645700000000 ] - [ 0.0000019200000000, -0.0000011100000000, -0.0005645700000000 ] - [ 0.0000039300000000, 0.0000022700000000, -0.0001953500000000 ] - [ -0.0000039300000000, 0.0000022700000000, -0.0001953500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001955900000000 ] - [ 0.0000000000000000, -0.0000045400000000, -0.0001953500000000 ] - [ 0.0000000000000000, -0.0000110300000000, -0.0006222400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005792200000000 ] - [ -0.0000095500000000, 0.0000055100000000, -0.0006222400000000 ] - [ 0.0000095500000000, 0.0000055100000000, -0.0006222400000000 ] - [ 0.0009118300000000, 0.0005264400000000, -0.0015602000000000 ] - [ -0.0009118300000000, 0.0005264400000000, -0.0015602000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001563500000000 ] - [ 0.0000000000000000, -0.0010528900000000, -0.0015602000000000 ] - [ -0.0002262500000000, -0.0001306300000000, -0.0007926600000000 ] - [ 0.0002262500000000, -0.0001306300000000, -0.0007926600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001264000000000 ] - [ 0.0000000000000000, 0.0002612500000000, -0.0007926600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002630100000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0002626800000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0002626800000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0002626800000000 ] - [ 0.0000000000000000, -0.0000035800000000, 0.0000899900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000851100000000 ] - [ -0.0000031000000000, 0.0000017900000000, 0.0000899900000000 ] - [ 0.0000031000000000, 0.0000017900000000, 0.0000899900000000 ] - [ 0.0000000000000000, -0.0000009800000000, -0.0002179000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002148500000000 ] - [ -0.0000008500000000, 0.0000004900000000, -0.0002179000000000 ] - [ 0.0000008500000000, 0.0000004900000000, -0.0002179000000000 ] - [ 0.0000000000000000, -0.0000018600000000, 0.0001214500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001219000000000 ] - [ -0.0000016100000000, 0.0000009300000000, 0.0001214500000000 ] - [ 0.0000016100000000, 0.0000009300000000, 0.0001214500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005420600000000 ] - [ 0.0000000000000000, 0.0000472900000000, -0.0006007400000000 ] - [ -0.0000409500000000, -0.0000236400000000, -0.0006007400000000 ] - [ 0.0000409500000000, -0.0000236400000000, -0.0006007400000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0001203100000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0001203100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001230200000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0001203100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005224800000000 ] - [ 0.0000000000000000, -0.0000045300000000, -0.0005228800000000 ] - [ 0.0000039200000000, 0.0000022600000000, -0.0005228800000000 ] - [ -0.0000039200000000, 0.0000022600000000, -0.0005228800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008230200000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0008232400000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0008232400000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0008232400000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0000764100000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0000764100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000765400000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0000764100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004032700000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0004048800000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0004048800000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0004048800000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0000309100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000307700000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0000309100000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0000309100000000 ] - [ 0.0000000000000000, -0.0000315500000000, 0.0000044200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000799100000000 ] - [ -0.0000273200000000, 0.0000157800000000, 0.0000044200000000 ] - [ 0.0000273200000000, 0.0000157800000000, 0.0000044200000000 ] - [ 0.0000000000000000, -0.0000003200000000, -0.0002278700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002266100000000 ] - [ -0.0000002800000000, 0.0000001600000000, -0.0002278700000000 ] - [ 0.0000002800000000, 0.0000001600000000, -0.0002278700000000 ] - [ 0.0000129000000000, 0.0000074500000000, -0.0005759000000000 ] - [ -0.0000129000000000, 0.0000074500000000, -0.0005759000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005837100000000 ] - [ 0.0000000000000000, -0.0000149000000000, -0.0005759000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014207600000000 ] - [ 0.0000000000000000, -0.0007889200000000, -0.0003953000000000 ] - [ 0.0006832300000000, 0.0003944600000000, -0.0003953000000000 ] - [ -0.0006832300000000, 0.0003944600000000, -0.0003953000000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0000528100000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0000528100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000529400000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0000528100000000 ] - [ 0.0000000000000000, -0.0000004900000000, -0.0007425800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007428400000000 ] - [ -0.0000004300000000, 0.0000002500000000, -0.0007425800000000 ] - [ 0.0000004300000000, 0.0000002500000000, -0.0007425800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004090600000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0004056500000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0004056500000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0004056500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000518500000000 ] - [ 0.0000000000000000, -0.0000182000000000, 0.0000424200000000 ] - [ 0.0000157600000000, 0.0000091000000000, 0.0000424200000000 ] - [ -0.0000157600000000, 0.0000091000000000, 0.0000424200000000 ] - [ 0.0000753400000000, 0.0000435000000000, -0.0012715800000000 ] - [ -0.0000753400000000, 0.0000435000000000, -0.0012715800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009178000000000 ] - [ 0.0000000000000000, -0.0000870000000000, -0.0012715800000000 ] - [ 0.0061458300000000, 0.0035483000000000, -0.0019432500000000 ] - [ -0.0061458300000000, 0.0035483000000000, -0.0019432500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003528500000000 ] - [ 0.0000000000000000, -0.0070966000000000, -0.0019432500000000 ] - [ 0.0000000000000000, -0.0016891600000000, -0.0016896700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005624800000000 ] - [ -0.0014628500000000, 0.0008445800000000, -0.0016896700000000 ] - [ 0.0014628500000000, 0.0008445800000000, -0.0016896700000000 ] - [ -0.0000001000000000, -0.0000000600000000, -0.0003539900000000 ] - [ 0.0000001000000000, -0.0000000600000000, -0.0003539900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003619000000000 ] - [ 0.0000000000000000, 0.0000001200000000, -0.0003539900000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0004957700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004957700000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0004957700000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0004957700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0769161500000000 ] - [ 0.0000000000000000, -0.0036662300000000, 0.0056764800000000 ] - [ 0.0031750500000000, 0.0018331200000000, 0.0056764800000000 ] - [ -0.0031750500000000, 0.0018331200000000, 0.0056764800000000 ] - [ 0.0000021000000000, 0.0000012100000000, 0.0004431500000000 ] - [ -0.0000021000000000, 0.0000012100000000, 0.0004431500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004659500000000 ] - [ 0.0000000000000000, -0.0000024300000000, 0.0004431500000000 ] - [ 0.0000000000000000, -0.0146626700000000, -0.0103743800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028779900000000 ] - [ -0.0126982400000000, 0.0073313300000000, -0.0103743800000000 ] - [ 0.0126982400000000, 0.0073313300000000, -0.0103743800000000 ] - [ 0.0000000000000000, 0.0000002800000000, 0.0007399900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007398800000000 ] - [ 0.0000002500000000, -0.0000001400000000, 0.0007399900000000 ] - [ -0.0000002500000000, -0.0000001400000000, 0.0007399900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003111800000000 ] - [ 0.0000000000000000, 0.0001644200000000, 0.0004223800000000 ] - [ -0.0001423900000000, -0.0000822100000000, 0.0004223800000000 ] - [ 0.0001423900000000, -0.0000822100000000, 0.0004223800000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0011874600000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0011874600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011876500000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0011874600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0482172500000000 ] - [ 0.0000000000000000, 0.0000827200000000, -0.0025313400000000 ] - [ -0.0000716300000000, -0.0000413600000000, -0.0025313400000000 ] - [ 0.0000716300000000, -0.0000413600000000, -0.0025313400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002574200000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0002585700000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0002585700000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0002585700000000 ] - [ -0.0000035100000000, -0.0000020300000000, 0.0006252200000000 ] - [ 0.0000035100000000, -0.0000020300000000, 0.0006252200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006247100000000 ] - [ 0.0000000000000000, 0.0000040500000000, 0.0006252200000000 ] - [ 0.0000000000000000, 0.0000113600000000, 0.0002213400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001764900000000 ] - [ 0.0000098300000000, -0.0000056800000000, 0.0002213400000000 ] - [ -0.0000098300000000, -0.0000056800000000, 0.0002213400000000 ] - [ -0.0009067000000000, -0.0005234800000000, -0.0000389400000000 ] - [ 0.0009067000000000, -0.0005234800000000, -0.0000389400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014352800000000 ] - [ 0.0000000000000000, 0.0010469600000000, -0.0000389400000000 ] - [ 0.0002246200000000, 0.0001296800000000, -0.0001445200000000 ] - [ -0.0002246200000000, 0.0001296800000000, -0.0001445200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010494700000000 ] - [ 0.0000000000000000, -0.0002593700000000, -0.0001445200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005586900000000 ] - [ 0.0000000000000000, -0.0000001800000000, 0.0005566900000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0005566900000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0005566900000000 ] - [ 0.0000000000000000, 0.0000008400000000, 0.0009135400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009144000000000 ] - [ 0.0000007200000000, -0.0000004200000000, 0.0009135400000000 ] - [ -0.0000007200000000, -0.0000004200000000, 0.0009135400000000 ] - [ 0.0000000000000000, -0.0000007900000000, 0.0006130000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006112600000000 ] - [ -0.0000006800000000, 0.0000003900000000, 0.0006130000000000 ] - [ 0.0000006800000000, 0.0000003900000000, 0.0006130000000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0009471200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009471300000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0009471200000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0009471200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002173900000000 ] - [ 0.0000000000000000, -0.0000483600000000, 0.0002774700000000 ] - [ 0.0000418800000000, 0.0000241800000000, 0.0002774700000000 ] - [ -0.0000418800000000, 0.0000241800000000, 0.0002774700000000 ] - [ -0.0000001900000000, -0.0000001100000000, 0.0007055900000000 ] - [ 0.0000001900000000, -0.0000001100000000, 0.0007055900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007063100000000 ] - [ 0.0000000000000000, 0.0000002100000000, 0.0007055900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002952800000000 ] - [ 0.0000000000000000, 0.0000005900000000, 0.0002977400000000 ] - [ -0.0000005100000000, -0.0000002900000000, 0.0002977400000000 ] - [ 0.0000005100000000, -0.0000002900000000, 0.0002977400000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000143400000000, 0.0000093200000000, -0.0004082000000000 ] - [ -0.0000143900000000, 0.0000089500000000, -0.0004087400000000 ] - [ -0.0000140400000000, 0.0000094200000000, -0.0004085100000000 ] - [ -0.0000147300000000, 0.0000094300000000, -0.0004085200000000 ] - [ -0.0000140100000000, 0.0000086000000000, 0.0003384300000000 ] - [ -0.0000151100000000, 0.0000081200000000, 0.0003384100000000 ] - [ -0.0000142700000000, 0.0000094300000000, 0.0003385500000000 ] - [ -0.0000150200000000, 0.0000088800000000, 0.0003383300000000 ] - [ 0.0000159200000000, -0.0000090600000000, 0.0000083500000000 ] - [ 0.0000145700000000, -0.0000091000000000, 0.0000078300000000 ] - [ 0.0000155600000000, -0.0000085600000000, 0.0000078200000000 ] - [ 0.0000151700000000, -0.0000093600000000, 0.0000085200000000 ] - [ 0.0000155600000000, -0.0000084800000000, 0.0004584700000000 ] - [ 0.0000150900000000, -0.0000084600000000, 0.0004587900000000 ] - [ 0.0000154200000000, -0.0000082800000000, 0.0004585200000000 ] - [ 0.0000151900000000, -0.0000085300000000, 0.0004585300000000 ] - [ -0.0000159500000000, 0.0000092200000000, 0.0004008900000000 ] - [ -0.0000161600000000, 0.0000083000000000, 0.0004000300000000 ] - [ -0.0000152800000000, 0.0000093300000000, 0.0004003000000000 ] - [ -0.0000166500000000, 0.0000092500000000, 0.0004000000000000 ] - [ 0.0002598800000000, -0.0001429300000000, 0.0012598100000000 ] - [ 0.0002584900000000, 0.0001651300000000, -0.0008621400000000 ] - [ -0.0000076000000000, 0.0000102400000000, 0.0001996300000000 ] - [ -0.0001023900000000, 0.0000091000000000, 0.0001985200000000 ] - [ -0.0000144800000000, 0.0000093900000000, -0.0001600400000000 ] - [ -0.0000157700000000, 0.0000091900000000, -0.0001600300000000 ] - [ -0.0000152400000000, 0.0000096800000000, -0.0001598300000000 ] - [ -0.0000156300000000, 0.0000092700000000, -0.0001603100000000 ] - [ -0.0000164200000000, 0.0000094900000000, -0.0001801900000000 ] - [ -0.0000151200000000, 0.0000104900000000, -0.0001826000000000 ] - [ -0.0000165900000000, 0.0000091900000000, -0.0001812400000000 ] - [ -0.0000150100000000, 0.0000099200000000, -0.0001807300000000 ] - [ 0.0000163900000000, -0.0000094000000000, 0.0003622700000000 ] - [ 0.0000153100000000, -0.0000087200000000, 0.0003617200000000 ] - [ 0.0000152900000000, -0.0000080900000000, 0.0003637400000000 ] - [ 0.0000164500000000, -0.0000087900000000, 0.0003605800000000 ] - [ -0.0000148800000000, 0.0000088100000000, -0.0003256900000000 ] - [ -0.0000146200000000, 0.0000079000000000, -0.0003265900000000 ] - [ -0.0000140600000000, 0.0000081400000000, -0.0003261200000000 ] - [ -0.0000156000000000, 0.0000084000000000, -0.0003259000000000 ] - [ 0.0000137600000000, 0.0000206000000000, 0.0000929500000000 ] - [ 0.0000140600000000, -0.0000376800000000, -0.0000712200000000 ] - [ 0.0001275500000000, -0.0000086200000000, 0.0000108800000000 ] - [ -0.0000365800000000, -0.0000085000000000, 0.0000100600000000 ] - [ 0.0289942400000000, 0.0157290100000000, 0.0127849200000000 ] - [ 0.0302140800000000, -0.0166260600000000, -0.0125031900000000 ] - [ -0.0004555900000000, 0.0000016000000000, 0.0004658500000000 ] - [ 0.0015895300000000, -0.0000913000000000, 0.0004711000000000 ] - [ 0.0006629700000000, -0.0000076000000000, -0.0007202900000000 ] - [ -0.0008541100000000, -0.0000076200000000, -0.0007245100000000 ] - [ 0.0002112800000000, 0.0006071200000000, -0.0007985300000000 ] - [ 0.0002120400000000, -0.0006236300000000, -0.0006507500000000 ] - [ 0.0000090700000000, -0.0000082300000000, -0.0005084900000000 ] - [ 0.0000220700000000, -0.0000089100000000, -0.0005089800000000 ] - [ 0.0000159400000000, -0.0000126900000000, -0.0005085200000000 ] - [ 0.0000148400000000, -0.0000049100000000, -0.0005091800000000 ] - [ -0.0000060400000000, 0.0000947200000000, -0.0002904900000000 ] - [ -0.0000043000000000, -0.0001127600000000, -0.0002687300000000 ] - [ 0.0001744700000000, -0.0000087400000000, -0.0002790200000000 ] - [ -0.0001401100000000, -0.0000077900000000, -0.0002795600000000 ] - [ 0.0028922600000000, -0.0000158100000000, -0.0000367500000000 ] - [ -0.0011987800000000, 0.0000086100000000, 0.0000528000000000 ] - [ 0.0000074700000000, 0.0007071200000000, -0.0000125300000000 ] - [ 0.0000093700000000, -0.0006869700000000, 0.0001354400000000 ] - [ 0.0000171200000000, -0.0000150500000000, -0.0000890000000000 ] - [ 0.0000178400000000, -0.0000041900000000, -0.0000697400000000 ] - [ 0.0000081300000000, -0.0000088800000000, -0.0000790500000000 ] - [ 0.0000231200000000, -0.0000084900000000, -0.0000792900000000 ] - [ 0.0000155400000000, 0.0000122400000000, -0.0005010000000000 ] - [ 0.0000168800000000, -0.0000298900000000, -0.0004970100000000 ] - [ 0.0000480700000000, -0.0000098200000000, -0.0004990000000000 ] - [ -0.0000201700000000, -0.0000091500000000, -0.0004995200000000 ] - [ -0.0953761200000000, 0.0010421600000000, 0.0007884400000000 ] - [ 0.0166469000000000, 0.0000065000000000, 0.0000464900000000 ] - [ 0.0044042800000000, -0.0070769600000000, -0.0006188900000000 ] - [ 0.0044030600000000, 0.0070598800000000, 0.0007057300000000 ] - [ -0.0000020900000000, -0.0000237100000000, -0.0004135600000000 ] - [ 0.0000063800000000, 0.0000218600000000, -0.0003015700000000 ] - [ -0.0000367200000000, 0.0000046700000000, -0.0003558600000000 ] - [ 0.0000177000000000, 0.0000100600000000, -0.0003609700000000 ] - [ -0.0000030700000000, -0.0000154600000000, 0.0003694500000000 ] - [ 0.0000077500000000, 0.0000234900000000, 0.0002901900000000 ] - [ -0.0000313700000000, -0.0000015100000000, 0.0003330200000000 ] - [ 0.0000122800000000, 0.0000045100000000, 0.0003382200000000 ] - [ 0.0000090800000000, 0.0000008700000000, -0.0000411900000000 ] - [ 0.0000020600000000, -0.0000044900000000, -0.0000432200000000 ] - [ 0.0000106200000000, -0.0000026400000000, -0.0000478900000000 ] - [ 0.0000006100000000, -0.0000069000000000, -0.0000370800000000 ] - [ -0.0000036100000000, -0.0000012600000000, 0.0007913000000000 ] - [ -0.0000068600000000, -0.0000029900000000, 0.0007864400000000 ] - [ -0.0000047400000000, 0.0000096200000000, 0.0007810500000000 ] - [ -0.0000081900000000, 0.0000087100000000, 0.0007898400000000 ] - [ -0.0000046600000000, -0.0000077200000000, 0.0001215500000000 ] - [ -0.0000076800000000, 0.0000093100000000, 0.0001452900000000 ] - [ -0.0000187600000000, 0.0000054600000000, 0.0001319600000000 ] - [ 0.0000083800000000, 0.0000034700000000, 0.0001251700000000 ] - [ 0.0000074800000000, 0.0000493700000000, -0.0002798300000000 ] - [ 0.0000007500000000, -0.0000591100000000, -0.0000162300000000 ] - [ 0.0004353800000000, -0.0000000300000000, -0.0001433900000000 ] - [ -0.0000898700000000, -0.0000037300000000, -0.0001477500000000 ] - [ 0.0000068000000000, -0.0000041700000000, 0.0002133100000000 ] - [ 0.0000043500000000, -0.0000018900000000, 0.0002114600000000 ] - [ 0.0000038700000000, -0.0000030200000000, 0.0002111400000000 ] - [ 0.0000070100000000, -0.0000043700000000, 0.0002129500000000 ] - [ 0.0000061800000000, -0.0000033400000000, -0.0001900000000000 ] - [ 0.0000051800000000, -0.0000037500000000, -0.0001935500000000 ] - [ 0.0000064600000000, -0.0000034400000000, -0.0001908300000000 ] - [ 0.0000057000000000, -0.0000040500000000, -0.0001945500000000 ] - [ 0.0000018900000000, 0.0000023300000000, -0.0007960700000000 ] - [ 0.0000090000000000, -0.0000079700000000, -0.0007949600000000 ] - [ 0.0000143600000000, -0.0000064300000000, -0.0007946000000000 ] - [ -0.0000031500000000, -0.0000016900000000, -0.0007922100000000 ] - [ -0.0000438000000000, -0.0000014200000000, -0.0004988000000000 ] - [ 0.0002097600000000, 0.0000055500000000, -0.0004937200000000 ] - [ -0.0000525700000000, -0.0001438900000000, -0.0007293300000000 ] - [ -0.0000414300000000, 0.0001528300000000, -0.0002599700000000 ] - [ -0.0000022100000000, 0.0000062000000000, 0.0001528000000000 ] - [ -0.0000094900000000, 0.0000033400000000, 0.0001517800000000 ] - [ -0.0000035900000000, 0.0000035000000000, 0.0001553100000000 ] - [ -0.0000081700000000, -0.0000009600000000, 0.0001573700000000 ] - [ 0.0000119400000000, -0.0000081100000000, 0.0005073400000000 ] - [ -0.0000012500000000, -0.0000080500000000, 0.0004982600000000 ] - [ 0.0000051500000000, 0.0000039600000000, 0.0005026000000000 ] - [ 0.0000054800000000, -0.0000033200000000, 0.0005099200000000 ] - [ 0.0021957400000000, -0.0015162500000000, -0.0038024400000000 ] - [ 0.0021956700000000, 0.0015178900000000, 0.0041713900000000 ] - [ -0.0004318300000000, -0.0000038500000000, 0.0001767400000000 ] - [ 0.0000187400000000, -0.0000031500000000, 0.0001806100000000 ] - [ -0.0000019600000000, 0.0000049500000000, 0.0005035200000000 ] - [ -0.0000095200000000, 0.0000070400000000, 0.0005068900000000 ] - [ -0.0000078800000000, 0.0000025600000000, 0.0005097600000000 ] - [ -0.0000038800000000, -0.0000016900000000, 0.0005117400000000 ] - [ 0.0017066700000000, 0.0014520000000000, 0.0018991900000000 ] - [ 0.0017220600000000, -0.0014621600000000, -0.0022355200000000 ] - [ 0.0000652100000000, 0.0000034400000000, -0.0001571400000000 ] - [ -0.0008090300000000, 0.0000045500000000, -0.0001559900000000 ] - [ -0.0000039300000000, 0.0000003000000000, 0.0003113200000000 ] - [ -0.0000090600000000, -0.0000026000000000, 0.0003038800000000 ] - [ -0.0000039600000000, 0.0000099400000000, 0.0003025200000000 ] - [ -0.0000085500000000, 0.0000060400000000, 0.0003020800000000 ] - [ 0.0000000000000000, -0.0000014800000000, -0.0001089200000000 ] - [ 0.0000112600000000, -0.0000110600000000, -0.0001047000000000 ] - [ 0.0000138800000000, -0.0000032000000000, -0.0001024400000000 ] - [ -0.0000030800000000, 0.0000029100000000, -0.0001071700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000800000000, 0.0000000500000000, -0.0008231500000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0008231500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008232400000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0008231500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000763900000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0000761300000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0000761300000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0000761300000000 ] - [ -0.0000007600000000, -0.0000004400000000, -0.0004059900000000 ] - [ 0.0000007600000000, -0.0000004400000000, -0.0004059900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004034800000000 ] - [ 0.0000000000000000, 0.0000008800000000, -0.0004059900000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0000314200000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0000314200000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0000314200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000305700000000 ] - [ 0.0000002000000000, -0.0000001100000000, -0.0000133400000000 ] - [ -0.0000002000000000, -0.0000001100000000, -0.0000133400000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0000133400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000134100000000 ] - [ -0.0007234000000000, 0.0004176500000000, -0.0005519400000000 ] - [ 0.0007234000000000, 0.0004176500000000, -0.0005519400000000 ] - [ 0.0000000000000000, -0.0008353100000000, -0.0005519400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007896100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005750300000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0005764500000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0005764500000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0005764500000000 ] - [ 0.0000004300000000, 0.0000002500000000, -0.0006074500000000 ] - [ -0.0000004300000000, 0.0000002500000000, -0.0006074500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006068600000000 ] - [ 0.0000000000000000, -0.0000005000000000, -0.0006074500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000693100000000 ] - [ 0.0000000000000000, -0.0000022700000000, -0.0000490400000000 ] - [ 0.0000019700000000, 0.0000011400000000, -0.0000490400000000 ] - [ -0.0000019700000000, 0.0000011400000000, -0.0000490400000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0007424700000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0007424700000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0007424700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007424800000000 ] - [ 0.0000064200000000, 0.0000037000000000, -0.0002729500000000 ] - [ -0.0000064200000000, 0.0000037000000000, -0.0002729500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008243500000000 ] - [ 0.0000000000000000, -0.0000074100000000, -0.0002729500000000 ] - [ 0.0113351100000000, 0.0065443300000000, 0.0104644100000000 ] - [ -0.0113351100000000, 0.0065443300000000, 0.0104644100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030667700000000 ] - [ 0.0000000000000000, -0.0130886500000000, 0.0104644100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017059000000000 ] - [ 0.0000000000000000, 0.0018449100000000, -0.0003726400000000 ] - [ -0.0015977400000000, -0.0009224500000000, -0.0003726400000000 ] - [ 0.0015977400000000, -0.0009224500000000, -0.0003726400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009271600000000 ] - [ 0.0000000000000000, 0.0000025300000000, -0.0009247200000000 ] - [ -0.0000021900000000, -0.0000012600000000, -0.0009247200000000 ] - [ 0.0000021900000000, -0.0000012600000000, -0.0009247200000000 ] - [ 0.0001381600000000, -0.0000797700000000, -0.0006451600000000 ] - [ -0.0001381600000000, -0.0000797700000000, -0.0006451600000000 ] - [ 0.0000000000000000, 0.0001595300000000, -0.0006451600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008708200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0484797700000000 ] - [ 0.0000000000000000, 0.0008158400000000, 0.0027164700000000 ] - [ -0.0007065400000000, -0.0004079200000000, 0.0027164700000000 ] - [ 0.0007065400000000, -0.0004079200000000, 0.0027164700000000 ] - [ 0.0000229800000000, -0.0000132700000000, -0.0005083100000000 ] - [ -0.0000229800000000, -0.0000132700000000, -0.0005083100000000 ] - [ 0.0000000000000000, 0.0000265300000000, -0.0005083100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004625100000000 ] - [ -0.0000237700000000, -0.0000137200000000, -0.0009109300000000 ] - [ 0.0000237700000000, -0.0000137200000000, -0.0009109300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009334400000000 ] - [ 0.0000000000000000, 0.0000274500000000, -0.0009109300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1033247000000000 ] - [ 0.0000000000000000, 0.0007745300000000, -0.0028090400000000 ] - [ -0.0006707600000000, -0.0003872600000000, -0.0028090400000000 ] - [ 0.0006707600000000, -0.0003872600000000, -0.0028090400000000 ] - [ -0.0000380000000000, 0.0000219400000000, 0.0000648300000000 ] - [ 0.0000380000000000, 0.0000219400000000, 0.0000648300000000 ] - [ 0.0000000000000000, -0.0000438700000000, 0.0000648300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000214900000000 ] - [ 0.0000552200000000, -0.0000318800000000, 0.0007688700000000 ] - [ -0.0000552200000000, -0.0000318800000000, 0.0007688700000000 ] - [ 0.0000000000000000, 0.0000637600000000, 0.0007688700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006817300000000 ] - [ -0.0000001400000000, -0.0000000800000000, 0.0003970600000000 ] - [ 0.0000001400000000, -0.0000000800000000, 0.0003970600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003977400000000 ] - [ 0.0000000000000000, 0.0000001700000000, 0.0003970600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012312400000000 ] - [ 0.0000000000000000, -0.0000009900000000, 0.0011829600000000 ] - [ 0.0000008600000000, 0.0000005000000000, 0.0011829600000000 ] - [ -0.0000008600000000, 0.0000005000000000, 0.0011829600000000 ] - [ 0.0000060700000000, 0.0000035100000000, 0.0005444500000000 ] - [ -0.0000060700000000, 0.0000035100000000, 0.0005444500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005354200000000 ] - [ 0.0000000000000000, -0.0000070100000000, 0.0005444500000000 ] - [ -0.0000359500000000, -0.0000207500000000, -0.0000908200000000 ] - [ 0.0000359500000000, -0.0000207500000000, -0.0000908200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013924600000000 ] - [ 0.0000000000000000, 0.0000415100000000, -0.0000908200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006314800000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0006310300000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0006310300000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0006310300000000 ] - [ 0.0000001300000000, -0.0000000700000000, 0.0002139700000000 ] - [ -0.0000001300000000, -0.0000000700000000, 0.0002139700000000 ] - [ 0.0000000000000000, 0.0000001500000000, 0.0002139700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002138600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003785000000000 ] - [ 0.0000000000000000, -0.0000006600000000, -0.0003762300000000 ] - [ 0.0000005700000000, 0.0000003300000000, -0.0003762300000000 ] - [ -0.0000005700000000, 0.0000003300000000, -0.0003762300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004313700000000 ] - [ 0.0000000000000000, -0.0003980800000000, 0.0000929600000000 ] - [ 0.0003447500000000, 0.0001990400000000, 0.0000929600000000 ] - [ -0.0003447500000000, 0.0001990400000000, 0.0000929600000000 ] - [ -0.0000017900000000, -0.0000010300000000, 0.0005641300000000 ] - [ 0.0000017900000000, -0.0000010300000000, 0.0005641300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005577800000000 ] - [ 0.0000000000000000, 0.0000020700000000, 0.0005641300000000 ] - [ -0.0000004100000000, 0.0000002400000000, 0.0009195700000000 ] - [ 0.0000004100000000, 0.0000002400000000, 0.0009195700000000 ] - [ 0.0000000000000000, -0.0000004800000000, 0.0009195700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009197300000000 ] - [ -0.0020959400000000, 0.0012100900000000, 0.0044108900000000 ] - [ 0.0020959400000000, 0.0012100900000000, 0.0044108900000000 ] - [ 0.0000000000000000, -0.0024201900000000, 0.0044108900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010921900000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0009531900000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0009531900000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0009531900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009544000000000 ] - [ 0.0034026800000000, 0.0019645400000000, 0.0040890600000000 ] - [ -0.0034026800000000, 0.0019645400000000, 0.0040890600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015298500000000 ] - [ 0.0000000000000000, -0.0039290800000000, 0.0040890600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007109000000000 ] - [ 0.0000000000000000, 0.0000008300000000, 0.0007119900000000 ] - [ -0.0000007100000000, -0.0000004100000000, 0.0007119900000000 ] - [ 0.0000007100000000, -0.0000004100000000, 0.0007119900000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0003043800000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0003043800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003043300000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0003043800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000000900000000, -0.0000000500000000, 0.0000086300000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0000086300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000086000000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0000086300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007549400000000 ] - [ 0.0000000000000000, 0.0000002600000000, 0.0007551700000000 ] - [ -0.0000002300000000, -0.0000001300000000, 0.0007551700000000 ] - [ 0.0000002300000000, -0.0000001300000000, 0.0007551700000000 ] - [ 0.0000008000000000, 0.0000004600000000, 0.0004289800000000 ] - [ -0.0000008000000000, 0.0000004600000000, 0.0004289800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004266600000000 ] - [ 0.0000000000000000, -0.0000009200000000, 0.0004289800000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0008739400000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0008739400000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0008739400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008750500000000 ] - [ -0.0000002500000000, 0.0000001500000000, 0.0008205800000000 ] - [ 0.0000002500000000, 0.0000001500000000, 0.0008205800000000 ] - [ 0.0000000000000000, -0.0000002900000000, 0.0008205800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008206300000000 ] - [ 0.0007175200000000, -0.0004142600000000, 0.0009426100000000 ] - [ -0.0007175200000000, -0.0004142600000000, 0.0009426100000000 ] - [ 0.0000000000000000, 0.0008285200000000, 0.0009426100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003982000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002532300000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0002548400000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0002548400000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0002548400000000 ] - [ -0.0000005700000000, -0.0000003300000000, 0.0002367800000000 ] - [ 0.0000005700000000, -0.0000003300000000, 0.0002367800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002363100000000 ] - [ 0.0000000000000000, 0.0000006600000000, 0.0002367800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007948600000000 ] - [ 0.0000000000000000, 0.0000022100000000, 0.0007746800000000 ] - [ -0.0000019100000000, -0.0000011000000000, 0.0007746800000000 ] - [ 0.0000019100000000, -0.0000011000000000, 0.0007746800000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0000911700000000 ] - [ 0.0000001200000000, 0.0000000700000000, 0.0000911700000000 ] - [ 0.0000000000000000, -0.0000001400000000, 0.0000911700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000913200000000 ] - [ -0.0000061800000000, -0.0000035700000000, 0.0002950700000000 ] - [ 0.0000061800000000, -0.0000035700000000, 0.0002950700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008437100000000 ] - [ 0.0000000000000000, 0.0000071300000000, 0.0002950700000000 ] - [ -0.0114884200000000, -0.0066328400000000, -0.0094102300000000 ] - [ 0.0114884200000000, -0.0066328400000000, -0.0094102300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021538300000000 ] - [ 0.0000000000000000, 0.0132656800000000, -0.0094102300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002390300000000 ] - [ 0.0000000000000000, -0.0018561200000000, -0.0010929900000000 ] - [ 0.0016074400000000, 0.0009280600000000, -0.0010929900000000 ] - [ -0.0016074400000000, 0.0009280600000000, -0.0010929900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000909700000000 ] - [ 0.0000000000000000, -0.0000025600000000, -0.0000945800000000 ] - [ 0.0000022100000000, 0.0000012800000000, -0.0000945800000000 ] - [ -0.0000022100000000, 0.0000012800000000, -0.0000945800000000 ] - [ -0.0001398800000000, 0.0000807600000000, 0.0000951600000000 ] - [ 0.0001398800000000, 0.0000807600000000, 0.0000951600000000 ] - [ 0.0000000000000000, -0.0001615200000000, 0.0000951600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003225100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0457864000000000 ] - [ 0.0000000000000000, -0.0008182500000000, -0.0025885500000000 ] - [ 0.0007086300000000, 0.0004091300000000, -0.0025885500000000 ] - [ -0.0007086300000000, 0.0004091300000000, -0.0025885500000000 ] - [ -0.0000228100000000, 0.0000131700000000, 0.0003514300000000 ] - [ 0.0000228100000000, 0.0000131700000000, 0.0003514300000000 ] - [ 0.0000000000000000, -0.0000263400000000, 0.0003514300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003059800000000 ] - [ 0.0000236500000000, 0.0000136500000000, -0.0000872200000000 ] - [ -0.0000236500000000, 0.0000136500000000, -0.0000872200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000646300000000 ] - [ 0.0000000000000000, -0.0000273100000000, -0.0000872200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1004327900000000 ] - [ 0.0000000000000000, -0.0007697500000000, 0.0028762100000000 ] - [ 0.0006666300000000, 0.0003848800000000, 0.0028762100000000 ] - [ -0.0006666300000000, 0.0003848800000000, 0.0028762100000000 ] - [ 0.0000380200000000, -0.0000219500000000, -0.0008119800000000 ] - [ -0.0000380200000000, -0.0000219500000000, -0.0008119800000000 ] - [ 0.0000000000000000, 0.0000439000000000, -0.0008119800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007248800000000 ] - [ -0.0000547200000000, 0.0000315900000000, -0.0001155900000000 ] - [ 0.0000547200000000, 0.0000315900000000, -0.0001155900000000 ] - [ 0.0000000000000000, -0.0000631900000000, -0.0001155900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000291100000000 ] - [ -0.0000004100000000, -0.0000002400000000, -0.0004302200000000 ] - [ 0.0000004100000000, -0.0000002400000000, -0.0004302200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004301800000000 ] - [ 0.0000000000000000, 0.0000004800000000, -0.0004302200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003267200000000 ] - [ 0.0000000000000000, 0.0000006400000000, 0.0003746900000000 ] - [ -0.0000005600000000, -0.0000003200000000, 0.0003746900000000 ] - [ 0.0000005600000000, -0.0000003200000000, 0.0003746900000000 ] - [ -0.0000072300000000, -0.0000041700000000, -0.0003019100000000 ] - [ 0.0000072300000000, -0.0000041700000000, -0.0003019100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002927000000000 ] - [ 0.0000000000000000, 0.0000083400000000, -0.0003019100000000 ] - [ 0.0000361400000000, 0.0000208700000000, -0.0002263900000000 ] - [ -0.0000361400000000, 0.0000208700000000, -0.0002263900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016999100000000 ] - [ 0.0000000000000000, -0.0000417300000000, -0.0002263900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002007700000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0002006200000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0002006200000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0002006200000000 ] - [ 0.0000002500000000, -0.0000001500000000, -0.0006180500000000 ] - [ -0.0000002500000000, -0.0000001500000000, -0.0006180500000000 ] - [ 0.0000000000000000, 0.0000002900000000, -0.0006180500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006172000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012192000000000 ] - [ 0.0000000000000000, 0.0000011900000000, -0.0012203100000000 ] - [ -0.0000010300000000, -0.0000006000000000, -0.0012203100000000 ] - [ 0.0000010300000000, -0.0000006000000000, -0.0012203100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004880000000000 ] - [ 0.0000000000000000, 0.0004002000000000, -0.0010220600000000 ] - [ -0.0003465800000000, -0.0002001000000000, -0.0010220600000000 ] - [ 0.0003465800000000, -0.0002001000000000, -0.0010220600000000 ] - [ 0.0000016600000000, 0.0000009600000000, -0.0002713100000000 ] - [ -0.0000016600000000, 0.0000009600000000, -0.0002713100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002651600000000 ] - [ 0.0000000000000000, -0.0000019200000000, -0.0002713100000000 ] - [ -0.0000005200000000, 0.0000003000000000, 0.0000798400000000 ] - [ 0.0000005200000000, 0.0000003000000000, 0.0000798400000000 ] - [ 0.0000000000000000, -0.0000006000000000, 0.0000798400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000795100000000 ] - [ 0.0020517500000000, -0.0011845800000000, -0.0039298000000000 ] - [ -0.0020517500000000, -0.0011845800000000, -0.0039298000000000 ] - [ 0.0000000000000000, 0.0023691600000000, -0.0039298000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015026000000000 ] - [ 0.0000000300000000, -0.0000000100000000, 0.0001270200000000 ] - [ -0.0000000300000000, -0.0000000100000000, 0.0001270200000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0001270200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001239800000000 ] - [ -0.0034382500000000, -0.0019850700000000, -0.0044820100000000 ] - [ 0.0034382500000000, -0.0019850700000000, -0.0044820100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012069300000000 ] - [ 0.0000000000000000, 0.0039701500000000, -0.0044820100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001315900000000 ] - [ 0.0000000000000000, 0.0000009000000000, -0.0001309500000000 ] - [ -0.0000007800000000, -0.0000004500000000, -0.0001309500000000 ] - [ 0.0000007800000000, -0.0000004500000000, -0.0001309500000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0005272300000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0005272300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005270400000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0005272300000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000141300000000, 0.0000085700000000, -0.0004042500000000 ] - [ -0.0000150300000000, 0.0000092600000000, -0.0004038400000000 ] - [ -0.0000150100000000, 0.0000097000000000, -0.0004037100000000 ] - [ -0.0000138400000000, 0.0000096700000000, -0.0004035200000000 ] - [ -0.0000157700000000, 0.0000089000000000, 0.0003295900000000 ] - [ -0.0000139000000000, 0.0000093400000000, 0.0003302400000000 ] - [ -0.0000149300000000, 0.0000078300000000, 0.0003295600000000 ] - [ -0.0000142900000000, 0.0000090300000000, 0.0003301200000000 ] - [ 0.0000145300000000, -0.0000085000000000, 0.0000155600000000 ] - [ 0.0000161500000000, -0.0000087000000000, 0.0000151000000000 ] - [ 0.0000158000000000, -0.0000096600000000, 0.0000155400000000 ] - [ 0.0000147800000000, -0.0000088100000000, 0.0000152200000000 ] - [ 0.0000158800000000, -0.0000090800000000, 0.0004469000000000 ] - [ 0.0000144100000000, -0.0000083600000000, 0.0004465300000000 ] - [ 0.0000153500000000, -0.0000076800000000, 0.0004468200000000 ] - [ 0.0000149300000000, -0.0000084800000000, 0.0004463900000000 ] - [ -0.0000357000000000, 0.0000079000000000, 0.0004048600000000 ] - [ -0.0000017000000000, 0.0000104100000000, 0.0004060800000000 ] - [ -0.0000192000000000, 0.0000007400000000, 0.0004116500000000 ] - [ -0.0000135900000000, 0.0000175200000000, 0.0003991600000000 ] - [ -0.0000144100000000, 0.0000099800000000, 0.0001974600000000 ] - [ -0.0000156500000000, 0.0000106900000000, 0.0001968200000000 ] - [ -0.0000155500000000, 0.0000101700000000, 0.0001954000000000 ] - [ -0.0000142100000000, 0.0000089600000000, 0.0001985500000000 ] - [ -0.0000168200000000, 0.0000093500000000, -0.0001623800000000 ] - [ -0.0000141100000000, 0.0000088400000000, -0.0001604400000000 ] - [ -0.0000155900000000, 0.0000091600000000, -0.0001617400000000 ] - [ -0.0000156400000000, 0.0000104400000000, -0.0001612600000000 ] - [ 0.0000533500000000, 0.0000084900000000, -0.0001902900000000 ] - [ -0.0000658200000000, 0.0000106100000000, -0.0001883100000000 ] - [ -0.0000301000000000, 0.0000577900000000, -0.0002719500000000 ] - [ -0.0000281200000000, -0.0000379800000000, -0.0001069300000000 ] - [ 0.0000165500000000, -0.0000079900000000, 0.0003674000000000 ] - [ 0.0000152400000000, -0.0000091700000000, 0.0003684300000000 ] - [ 0.0000169800000000, -0.0000085100000000, 0.0003676300000000 ] - [ 0.0000152800000000, -0.0000093500000000, 0.0003677000000000 ] - [ -0.0000151000000000, 0.0000068500000000, -0.0003249600000000 ] - [ -0.0000150100000000, 0.0000085200000000, -0.0003238800000000 ] - [ -0.0000164200000000, 0.0000088200000000, -0.0003244000000000 ] - [ -0.0000133800000000, 0.0000087800000000, -0.0003237700000000 ] - [ 0.0000153000000000, -0.0000086000000000, 0.0000023100000000 ] - [ 0.0000154000000000, -0.0000089700000000, 0.0000027700000000 ] - [ 0.0000152000000000, -0.0000086700000000, 0.0000025800000000 ] - [ 0.0000151100000000, -0.0000082800000000, 0.0000018400000000 ] - [ -0.0000662900000000, 0.0000079800000000, 0.0004547300000000 ] - [ 0.0000980700000000, 0.0000082400000000, 0.0004552400000000 ] - [ -0.0000159800000000, -0.0000204400000000, 0.0005374000000000 ] - [ -0.0000153700000000, 0.0000376200000000, 0.0003722200000000 ] - [ 0.0002899400000000, -0.0001652900000000, -0.0018004500000000 ] - [ 0.0002901300000000, 0.0001477700000000, 0.0003361400000000 ] - [ 0.0000195600000000, -0.0000080900000000, -0.0007317700000000 ] - [ -0.0000725700000000, -0.0000080500000000, -0.0007322000000000 ] - [ 0.0000095600000000, 0.0003919600000000, -0.0002912300000000 ] - [ 0.0000092800000000, -0.0004110500000000, -0.0007451300000000 ] - [ 0.0007049100000000, -0.0000076500000000, -0.0005173900000000 ] - [ -0.0015247200000000, -0.0000078800000000, -0.0005207000000000 ] - [ 0.0029887800000000, 0.0000164600000000, -0.0003621900000000 ] - [ -0.0011749200000000, -0.0000080100000000, -0.0002731100000000 ] - [ 0.0000406100000000, 0.0006907400000000, -0.0001908500000000 ] - [ 0.0000396600000000, -0.0007121900000000, -0.0003393200000000 ] - [ -0.0000149900000000, 0.0000031700000000, 0.0000753500000000 ] - [ -0.0000134600000000, 0.0000137900000000, 0.0000565700000000 ] - [ -0.0000232600000000, 0.0000081100000000, 0.0000661000000000 ] - [ -0.0000088000000000, 0.0000090600000000, 0.0000667300000000 ] - [ 0.0000169300000000, -0.0000089700000000, -0.0000821600000000 ] - [ 0.0000153900000000, -0.0000090400000000, -0.0000815100000000 ] - [ 0.0000164400000000, -0.0000086600000000, -0.0000817200000000 ] - [ 0.0000162100000000, -0.0000099700000000, -0.0000821700000000 ] - [ 0.0015728200000000, 0.0000920700000000, -0.0004916900000000 ] - [ -0.0004579500000000, -0.0000033800000000, -0.0004985900000000 ] - [ 0.0292827000000000, -0.0159043100000000, 0.0119120100000000 ] - [ 0.0305129400000000, 0.0168086200000000, -0.0135580600000000 ] - [ 0.0000104800000000, -0.0000235700000000, -0.0000048900000000 ] - [ 0.0000161900000000, 0.0000186900000000, 0.0000734000000000 ] - [ -0.0000234100000000, -0.0000065700000000, 0.0000342000000000 ] - [ 0.0000259800000000, -0.0000031800000000, 0.0000337100000000 ] - [ -0.0963313200000000, -0.0010500100000000, 0.0003660800000000 ] - [ 0.0166068900000000, -0.0000044300000000, -0.0003793700000000 ] - [ 0.0044046600000000, -0.0070377800000000, 0.0002797300000000 ] - [ 0.0044083900000000, 0.0070491500000000, -0.0010457200000000 ] - [ -0.0000071600000000, 0.0000047800000000, 0.0003224100000000 ] - [ -0.0000042500000000, 0.0000036500000000, 0.0003242400000000 ] - [ -0.0000045300000000, 0.0000007800000000, 0.0003219200000000 ] - [ -0.0000068500000000, 0.0000022100000000, 0.0003232400000000 ] - [ -0.0000114100000000, -0.0000181900000000, 0.0000202400000000 ] - [ 0.0000195300000000, 0.0000017600000000, 0.0000104800000000 ] - [ -0.0000019000000000, -0.0000141600000000, -0.0000105500000000 ] - [ 0.0000334100000000, 0.0000173900000000, 0.0000429400000000 ] - [ -0.0000043500000000, 0.0000040900000000, 0.0007415900000000 ] - [ -0.0000084400000000, 0.0000036300000000, 0.0007542200000000 ] - [ -0.0000061400000000, 0.0000039600000000, 0.0007473800000000 ] - [ -0.0000063500000000, 0.0000020400000000, 0.0007506800000000 ] - [ -0.0004530700000000, 0.0000032900000000, 0.0001077900000000 ] - [ 0.0000132400000000, 0.0000029500000000, 0.0001103000000000 ] - [ 0.0021770300000000, -0.0015131100000000, 0.0021728100000000 ] - [ 0.0021915700000000, 0.0015322900000000, -0.0019737600000000 ] - [ 0.0000052600000000, -0.0000045600000000, -0.0001537200000000 ] - [ 0.0000052500000000, -0.0000044400000000, -0.0001530500000000 ] - [ 0.0000053000000000, -0.0000024500000000, -0.0001518300000000 ] - [ 0.0000052600000000, -0.0000025800000000, -0.0001509100000000 ] - [ 0.0000064400000000, 0.0000026400000000, 0.0001950200000000 ] - [ 0.0000049600000000, -0.0000109500000000, 0.0002078300000000 ] - [ 0.0000171500000000, -0.0000022300000000, 0.0001966200000000 ] - [ -0.0000062200000000, -0.0000031800000000, 0.0002001700000000 ] - [ 0.0000056600000000, -0.0000073700000000, -0.0001964700000000 ] - [ 0.0000081000000000, -0.0000059900000000, -0.0001759900000000 ] - [ 0.0000042600000000, -0.0000025700000000, -0.0001806100000000 ] - [ 0.0000068200000000, 0.0000004400000000, -0.0001798600000000 ] - [ 0.0000016300000000, -0.0000469900000000, -0.0008214500000000 ] - [ 0.0000037800000000, 0.0000388700000000, -0.0007613300000000 ] - [ -0.0000714800000000, -0.0000031300000000, -0.0007917500000000 ] - [ 0.0003710800000000, -0.0000017100000000, -0.0007874500000000 ] - [ 0.0021915400000000, -0.0015255700000000, 0.0035604800000000 ] - [ 0.0021929600000000, 0.0015278100000000, -0.0044509000000000 ] - [ -0.0004525600000000, 0.0000019600000000, -0.0004527300000000 ] - [ 0.0000063400000000, 0.0000020600000000, -0.0004509800000000 ] - [ -0.0000165900000000, 0.0000004500000000, 0.0001520600000000 ] - [ 0.0000048200000000, 0.0000041900000000, 0.0001588800000000 ] - [ -0.0000090300000000, -0.0000020900000000, 0.0001521700000000 ] - [ -0.0000028300000000, 0.0000105100000000, 0.0001533200000000 ] - [ 0.0000074000000000, -0.0000057400000000, 0.0004886700000000 ] - [ 0.0000034500000000, -0.0000045400000000, 0.0004960300000000 ] - [ 0.0000048700000000, -0.0000012500000000, 0.0004930200000000 ] - [ 0.0000061300000000, -0.0000042500000000, 0.0004897600000000 ] - [ 0.0000096800000000, -0.0000036000000000, 0.0002045300000000 ] - [ 0.0000041500000000, -0.0000036100000000, 0.0002046800000000 ] - [ 0.0000059100000000, -0.0000024800000000, 0.0002115600000000 ] - [ 0.0000056400000000, -0.0000041900000000, 0.0001997500000000 ] - [ -0.0000090900000000, 0.0000035000000000, 0.0005730300000000 ] - [ -0.0000025400000000, -0.0000014900000000, 0.0005722600000000 ] - [ -0.0000012900000000, 0.0000033300000000, 0.0005749500000000 ] - [ -0.0000103400000000, 0.0000071100000000, 0.0005770300000000 ] - [ -0.0001033300000000, 0.0000046100000000, -0.0001607600000000 ] - [ 0.0004280300000000, 0.0000001500000000, -0.0001662900000000 ] - [ -0.0000039700000000, -0.0000514000000000, -0.0002953700000000 ] - [ -0.0000111800000000, 0.0000589500000000, -0.0000313100000000 ] - [ -0.0000049800000000, -0.0000005500000000, 0.0002971200000000 ] - [ -0.0000073900000000, -0.0000003700000000, 0.0002946700000000 ] - [ -0.0000064200000000, 0.0000076700000000, 0.0002924400000000 ] - [ -0.0000064100000000, 0.0000068500000000, 0.0002931700000000 ] - [ 0.0000089100000000, -0.0000059600000000, -0.0001340800000000 ] - [ 0.0000021900000000, 0.0000014700000000, -0.0001367800000000 ] - [ -0.0000006400000000, -0.0000028700000000, -0.0001442300000000 ] - [ 0.0000122400000000, -0.0000062400000000, -0.0001292600000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000036700000000, -0.0008224800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008204000000000 ] - [ -0.0000031800000000, 0.0000018300000000, -0.0008224800000000 ] - [ 0.0000031800000000, 0.0000018300000000, -0.0008224800000000 ] - [ -0.0000033800000000, 0.0000019500000000, -0.0000800600000000 ] - [ 0.0000033800000000, 0.0000019500000000, -0.0000800600000000 ] - [ 0.0000000000000000, -0.0000039100000000, -0.0000800600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000800100000000 ] - [ 0.0000000000000000, -0.0000008000000000, -0.0003837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003864600000000 ] - [ -0.0000007000000000, 0.0000004000000000, -0.0003837100000000 ] - [ 0.0000007000000000, 0.0000004000000000, -0.0003837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000330800000000 ] - [ 0.0000000000000000, 0.0000004600000000, 0.0000338700000000 ] - [ -0.0000004000000000, -0.0000002300000000, 0.0000338700000000 ] - [ 0.0000004000000000, -0.0000002300000000, 0.0000338700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000298200000000 ] - [ 0.0000000000000000, -0.0000417800000000, -0.0000021700000000 ] - [ 0.0000361800000000, 0.0000208900000000, -0.0000021700000000 ] - [ -0.0000361800000000, 0.0000208900000000, -0.0000021700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002470500000000 ] - [ 0.0000000000000000, 0.0000035700000000, -0.0002269700000000 ] - [ -0.0000030900000000, -0.0000017900000000, -0.0002269700000000 ] - [ 0.0000030900000000, -0.0000017900000000, -0.0002269700000000 ] - [ 0.0000139000000000, -0.0000080200000000, -0.0005761500000000 ] - [ -0.0000139000000000, -0.0000080200000000, -0.0005761500000000 ] - [ 0.0000000000000000, 0.0000160500000000, -0.0005761500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005744700000000 ] - [ 0.0000000000000000, 0.0005393300000000, -0.0006668400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004506600000000 ] - [ 0.0004670700000000, -0.0002696600000000, -0.0006668400000000 ] - [ -0.0004670700000000, -0.0002696600000000, -0.0006668400000000 ] - [ 0.0000025000000000, -0.0000014400000000, -0.0000549200000000 ] - [ -0.0000025000000000, -0.0000014400000000, -0.0000549200000000 ] - [ 0.0000000000000000, 0.0000028800000000, -0.0000549200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000544100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007452400000000 ] - [ 0.0000000000000000, 0.0000034200000000, -0.0007413800000000 ] - [ -0.0000029700000000, -0.0000017100000000, -0.0007413800000000 ] - [ 0.0000029700000000, -0.0000017100000000, -0.0007413800000000 ] - [ 0.0000000000000000, 0.0000007900000000, -0.0004104800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004061900000000 ] - [ 0.0000006900000000, -0.0000004000000000, -0.0004104800000000 ] - [ -0.0000006900000000, -0.0000004000000000, -0.0004104800000000 ] - [ 0.0000000000000000, 0.0000068200000000, 0.0001757800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003725200000000 ] - [ 0.0000059100000000, -0.0000034100000000, 0.0001757800000000 ] - [ -0.0000059100000000, -0.0000034100000000, 0.0001757800000000 ] - [ 0.0007188800000000, -0.0004150400000000, -0.0014719800000000 ] - [ -0.0007188800000000, -0.0004150400000000, -0.0014719800000000 ] - [ 0.0000000000000000, 0.0008300900000000, -0.0014719800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001394800000000 ] - [ 0.0009191200000000, -0.0005306600000000, -0.0008437200000000 ] - [ -0.0009191200000000, -0.0005306600000000, -0.0008437200000000 ] - [ 0.0000000000000000, 0.0010613100000000, -0.0008437200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000405600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0481536400000000 ] - [ 0.0000000000000000, -0.0008109900000000, 0.0023817300000000 ] - [ 0.0007023300000000, 0.0004054900000000, 0.0023817300000000 ] - [ -0.0007023300000000, 0.0004054900000000, 0.0023817300000000 ] - [ -0.0000240500000000, 0.0000138800000000, -0.0003467600000000 ] - [ 0.0000240500000000, 0.0000138800000000, -0.0003467600000000 ] - [ 0.0000000000000000, -0.0000277700000000, -0.0003467600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003023700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004983900000000 ] - [ 0.0000000000000000, -0.0000026600000000, -0.0004970200000000 ] - [ 0.0000023000000000, 0.0000013300000000, -0.0004970200000000 ] - [ -0.0000023000000000, 0.0000013300000000, -0.0004970200000000 ] - [ 0.0000000000000000, 0.0130753200000000, 0.0095142100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019889600000000 ] - [ 0.0113235600000000, -0.0065376600000000, 0.0095142100000000 ] - [ -0.0113235600000000, -0.0065376600000000, 0.0095142100000000 ] - [ -0.0000543500000000, 0.0000313800000000, 0.0004688000000000 ] - [ 0.0000543500000000, 0.0000313800000000, 0.0004688000000000 ] - [ 0.0000000000000000, -0.0000627600000000, 0.0004688000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003858100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1028234700000000 ] - [ 0.0000000000000000, -0.0007713900000000, -0.0032000300000000 ] - [ 0.0006680400000000, 0.0003856900000000, -0.0032000300000000 ] - [ -0.0006680400000000, 0.0003856900000000, -0.0032000300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007406500000000 ] - [ 0.0000000000000000, -0.0000006100000000, 0.0007447800000000 ] - [ 0.0000005300000000, 0.0000003100000000, 0.0007447800000000 ] - [ -0.0000005300000000, 0.0000003100000000, 0.0007447800000000 ] - [ 0.0000000000000000, -0.0001111600000000, 0.0004110200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003104600000000 ] - [ -0.0000962700000000, 0.0000555800000000, 0.0004110200000000 ] - [ 0.0000962700000000, 0.0000555800000000, 0.0004110200000000 ] - [ 0.0000014100000000, -0.0000008100000000, 0.0011902100000000 ] - [ -0.0000014100000000, -0.0000008100000000, 0.0011902100000000 ] - [ 0.0000000000000000, 0.0000016300000000, 0.0011902100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011901700000000 ] - [ 0.0000000000000000, 0.0045821900000000, 0.0042590600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011701000000000 ] - [ 0.0039682900000000, -0.0022910900000000, 0.0042590600000000 ] - [ -0.0039682900000000, -0.0022910900000000, 0.0042590600000000 ] - [ 0.0000000000000000, -0.0000019800000000, 0.0002583500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002527000000000 ] - [ -0.0000017100000000, 0.0000009900000000, 0.0002583500000000 ] - [ 0.0000017100000000, 0.0000009900000000, 0.0002583500000000 ] - [ -0.0000025900000000, 0.0000015000000000, 0.0006284400000000 ] - [ 0.0000025900000000, 0.0000015000000000, 0.0006284400000000 ] - [ 0.0000000000000000, -0.0000029900000000, 0.0006284400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006263900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002420500000000 ] - [ 0.0000000000000000, 0.0000049700000000, 0.0002000200000000 ] - [ -0.0000043100000000, -0.0000024900000000, 0.0002000200000000 ] - [ 0.0000043100000000, -0.0000024900000000, 0.0002000200000000 ] - [ -0.0000658300000000, 0.0000380100000000, -0.0007405700000000 ] - [ 0.0000658300000000, 0.0000380100000000, -0.0007405700000000 ] - [ 0.0000000000000000, -0.0000760200000000, -0.0007405700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007731800000000 ] - [ 0.0020882400000000, -0.0012056400000000, 0.0037277100000000 ] - [ -0.0020882400000000, -0.0012056400000000, 0.0037277100000000 ] - [ 0.0000000000000000, 0.0024112900000000, 0.0037277100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017554200000000 ] - [ 0.0000000000000000, 0.0000003200000000, 0.0005588800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005620900000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0005588800000000 ] - [ -0.0000002800000000, -0.0000001600000000, 0.0005588800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009198400000000 ] - [ 0.0000000000000000, -0.0000001800000000, 0.0009187900000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0009187900000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0009187900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006547600000000 ] - [ 0.0000000000000000, 0.0000024300000000, 0.0006061700000000 ] - [ -0.0000021000000000, -0.0000012100000000, 0.0006061700000000 ] - [ 0.0000021000000000, -0.0000012100000000, 0.0006061700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009490700000000 ] - [ 0.0000000000000000, 0.0000009200000000, 0.0009465000000000 ] - [ -0.0000008000000000, -0.0000004600000000, 0.0009465000000000 ] - [ 0.0000008000000000, -0.0000004600000000, 0.0009465000000000 ] - [ 0.0000000000000000, -0.0000412000000000, -0.0001026600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013724000000000 ] - [ -0.0000356800000000, 0.0000206000000000, -0.0001026600000000 ] - [ 0.0000356800000000, 0.0000206000000000, -0.0001026600000000 ] - [ -0.0000012700000000, 0.0000007300000000, 0.0007056000000000 ] - [ 0.0000012700000000, 0.0000007300000000, 0.0007056000000000 ] - [ 0.0000000000000000, -0.0000014600000000, 0.0007056000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007091400000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0003017400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003006700000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0003017400000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0003017400000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000024600000000, 0.0000041000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000029700000000 ] - [ 0.0000021300000000, -0.0000012300000000, 0.0000041000000000 ] - [ -0.0000021300000000, -0.0000012300000000, 0.0000041000000000 ] - [ 0.0000002600000000, -0.0000001500000000, 0.0007509800000000 ] - [ -0.0000002600000000, -0.0000001500000000, 0.0007509800000000 ] - [ 0.0000000000000000, 0.0000003000000000, 0.0007509800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007510300000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0004242800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004241700000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0004242800000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0004242800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008728700000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0008714000000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0008714000000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0008714000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007930300000000 ] - [ 0.0000000000000000, 0.0000453000000000, 0.0008263100000000 ] - [ -0.0000392400000000, -0.0000226500000000, 0.0008263100000000 ] - [ 0.0000392400000000, -0.0000226500000000, 0.0008263100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006288500000000 ] - [ 0.0000000000000000, -0.0000022100000000, 0.0006090000000000 ] - [ 0.0000019100000000, 0.0000011100000000, 0.0006090000000000 ] - [ -0.0000019100000000, 0.0000011100000000, 0.0006090000000000 ] - [ -0.0000149200000000, 0.0000086200000000, 0.0002518200000000 ] - [ 0.0000149200000000, 0.0000086200000000, 0.0002518200000000 ] - [ 0.0000000000000000, -0.0000172300000000, 0.0002518200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002504100000000 ] - [ 0.0000000000000000, -0.0005483100000000, 0.0002992700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000813200000000 ] - [ -0.0004748500000000, 0.0002741600000000, 0.0002992700000000 ] - [ 0.0004748500000000, 0.0002741600000000, 0.0002992700000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0007745100000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0007745100000000 ] - [ 0.0000000000000000, 0.0000001200000000, 0.0007745100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007741400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000881200000000 ] - [ 0.0000000000000000, -0.0000007600000000, 0.0000862700000000 ] - [ 0.0000006600000000, 0.0000003800000000, 0.0000862700000000 ] - [ -0.0000006600000000, 0.0000003800000000, 0.0000862700000000 ] - [ 0.0000000000000000, 0.0000005300000000, 0.0004224400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004197500000000 ] - [ 0.0000004600000000, -0.0000002700000000, 0.0004224400000000 ] - [ -0.0000004600000000, -0.0000002700000000, 0.0004224400000000 ] - [ 0.0000000000000000, -0.0000073600000000, 0.0007447800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012909500000000 ] - [ -0.0000063700000000, 0.0000036800000000, 0.0007447800000000 ] - [ 0.0000063700000000, 0.0000036800000000, 0.0007447800000000 ] - [ -0.0007148800000000, 0.0004127400000000, 0.0000140900000000 ] - [ 0.0007148800000000, 0.0004127400000000, 0.0000140900000000 ] - [ 0.0000000000000000, -0.0008254700000000, 0.0000140900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013172200000000 ] - [ -0.0009211100000000, 0.0005318000000000, -0.0001907700000000 ] - [ 0.0009211100000000, 0.0005318000000000, -0.0001907700000000 ] - [ 0.0000000000000000, -0.0010636100000000, -0.0001907700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010876200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0461276300000000 ] - [ 0.0000000000000000, 0.0008143000000000, -0.0029112900000000 ] - [ -0.0007052100000000, -0.0004071500000000, -0.0029112900000000 ] - [ 0.0007052100000000, -0.0004071500000000, -0.0029112900000000 ] - [ 0.0000227700000000, -0.0000131500000000, 0.0004884800000000 ] - [ -0.0000227700000000, -0.0000131500000000, 0.0004884800000000 ] - [ 0.0000000000000000, 0.0000263000000000, 0.0004884800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004431800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003340000000000 ] - [ 0.0000000000000000, 0.0000002900000000, 0.0003328600000000 ] - [ -0.0000002500000000, -0.0000001500000000, 0.0003328600000000 ] - [ 0.0000002500000000, -0.0000001500000000, 0.0003328600000000 ] - [ 0.0000000000000000, -0.0132483200000000, -0.0103895800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030080600000000 ] - [ -0.0114733800000000, 0.0066241600000000, -0.0103895800000000 ] - [ 0.0114733800000000, 0.0066241600000000, -0.0103895800000000 ] - [ 0.0000544200000000, -0.0000314200000000, -0.0004019100000000 ] - [ -0.0000544200000000, -0.0000314200000000, -0.0004019100000000 ] - [ 0.0000000000000000, 0.0000628400000000, -0.0004019100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003164700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0991162900000000 ] - [ 0.0000000000000000, 0.0007668400000000, 0.0024538800000000 ] - [ -0.0006641000000000, -0.0003834200000000, 0.0024538800000000 ] - [ 0.0006641000000000, -0.0003834200000000, 0.0024538800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000897100000000 ] - [ 0.0000000000000000, 0.0000008100000000, -0.0000901600000000 ] - [ -0.0000007000000000, -0.0000004000000000, -0.0000901600000000 ] - [ 0.0000007000000000, -0.0000004000000000, -0.0000901600000000 ] - [ 0.0000000000000000, 0.0001141100000000, -0.0004559900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003552500000000 ] - [ 0.0000988300000000, -0.0000570600000000, -0.0004559900000000 ] - [ -0.0000988300000000, -0.0000570600000000, -0.0004559900000000 ] - [ -0.0000007800000000, 0.0000004500000000, 0.0003657400000000 ] - [ 0.0000007800000000, 0.0000004500000000, 0.0003657400000000 ] - [ 0.0000000000000000, -0.0000009000000000, 0.0003657400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003651900000000 ] - [ 0.0000000000000000, -0.0046260700000000, -0.0040759800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014236300000000 ] - [ -0.0040062900000000, 0.0023130300000000, -0.0040759800000000 ] - [ 0.0040062900000000, 0.0023130300000000, -0.0040759800000000 ] - [ 0.0000000000000000, 0.0000017800000000, -0.0005705500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005648100000000 ] - [ 0.0000015400000000, -0.0000008900000000, -0.0005705500000000 ] - [ -0.0000015400000000, -0.0000008900000000, -0.0005705500000000 ] - [ 0.0000030300000000, -0.0000017500000000, -0.0001973000000000 ] - [ -0.0000030300000000, -0.0000017500000000, -0.0001973000000000 ] - [ 0.0000000000000000, 0.0000034900000000, -0.0001973000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001902900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006452100000000 ] - [ 0.0000000000000000, -0.0000058200000000, -0.0005977800000000 ] - [ 0.0000050400000000, 0.0000029100000000, -0.0005977800000000 ] - [ -0.0000050400000000, 0.0000029100000000, -0.0005977800000000 ] - [ 0.0000646300000000, -0.0000373100000000, -0.0008511600000000 ] - [ -0.0000646300000000, -0.0000373100000000, -0.0008511600000000 ] - [ 0.0000000000000000, 0.0000746300000000, -0.0008511600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023709100000000 ] - [ -0.0020444600000000, 0.0011803700000000, -0.0045889400000000 ] - [ 0.0020444600000000, 0.0011803700000000, -0.0045889400000000 ] - [ 0.0000000000000000, -0.0023607400000000, -0.0045889400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008200200000000 ] - [ 0.0000000000000000, 0.0000012000000000, -0.0002604300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002605600000000 ] - [ 0.0000010400000000, -0.0000006000000000, -0.0002604300000000 ] - [ -0.0000010400000000, -0.0000006000000000, -0.0002604300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000870100000000 ] - [ 0.0000000000000000, -0.0000008000000000, 0.0000847900000000 ] - [ 0.0000006900000000, 0.0000004000000000, 0.0000847900000000 ] - [ -0.0000006900000000, 0.0000004000000000, 0.0000847900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002471000000000 ] - [ 0.0000000000000000, -0.0000012700000000, -0.0001984400000000 ] - [ 0.0000011000000000, 0.0000006300000000, -0.0001984400000000 ] - [ -0.0000011000000000, 0.0000006300000000, -0.0001984400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001258400000000 ] - [ 0.0000000000000000, 0.0000006700000000, 0.0001274400000000 ] - [ -0.0000005800000000, -0.0000003300000000, 0.0001274400000000 ] - [ 0.0000005800000000, -0.0000003300000000, 0.0001274400000000 ] - [ 0.0000000000000000, 0.0000416700000000, -0.0002273500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016958600000000 ] - [ 0.0000360900000000, -0.0000208400000000, -0.0002273500000000 ] - [ -0.0000360900000000, -0.0000208400000000, -0.0002273500000000 ] - [ 0.0000013100000000, -0.0000007600000000, -0.0001238700000000 ] - [ -0.0000013100000000, -0.0000007600000000, -0.0001238700000000 ] - [ 0.0000000000000000, 0.0000015200000000, -0.0001238700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001246600000000 ] - [ 0.0000000000000000, 0.0000005600000000, -0.0005230500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005251300000000 ] - [ 0.0000004800000000, -0.0000002800000000, -0.0005230500000000 ] - [ -0.0000004800000000, -0.0000002800000000, -0.0005230500000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000149400000000, 0.0000094000000000, -0.0004094400000000 ] - [ -0.0000139200000000, 0.0000091900000000, -0.0004096100000000 ] - [ -0.0000142800000000, 0.0000090600000000, -0.0004090100000000 ] - [ -0.0000145900000000, 0.0000094900000000, -0.0004099300000000 ] - [ -0.0000143300000000, 0.0000079000000000, 0.0003431700000000 ] - [ -0.0000148800000000, 0.0000097500000000, 0.0003342200000000 ] - [ -0.0000163700000000, 0.0000088500000000, 0.0003388000000000 ] - [ -0.0000124600000000, 0.0000085300000000, 0.0003386300000000 ] - [ -0.0000527700000000, -0.0000091700000000, 0.0000113600000000 ] - [ 0.0001303700000000, -0.0000092900000000, 0.0000116200000000 ] - [ 0.0000129000000000, -0.0000467500000000, 0.0000787900000000 ] - [ 0.0000129600000000, 0.0000291000000000, -0.0000558100000000 ] - [ 0.0000095900000000, -0.0000083400000000, 0.0004547100000000 ] - [ 0.0000208500000000, -0.0000086300000000, 0.0004549200000000 ] - [ 0.0000175000000000, -0.0000103100000000, 0.0004872400000000 ] - [ 0.0000175600000000, -0.0000064500000000, 0.0004222400000000 ] - [ -0.0000159300000000, 0.0000091500000000, 0.0004031300000000 ] - [ -0.0000159700000000, 0.0000086600000000, 0.0004030400000000 ] - [ -0.0000154000000000, 0.0000090900000000, 0.0004034000000000 ] - [ -0.0000166000000000, 0.0000091300000000, 0.0004033100000000 ] - [ 0.0006330900000000, 0.0000088300000000, 0.0001992400000000 ] - [ -0.0008840500000000, 0.0000085800000000, 0.0001951500000000 ] - [ 0.0001826100000000, 0.0006261700000000, 0.0002688000000000 ] - [ 0.0001810300000000, -0.0006044800000000, 0.0001215500000000 ] - [ -0.0000155100000000, 0.0000096600000000, -0.0001612300000000 ] - [ -0.0000155500000000, 0.0000095800000000, -0.0001613700000000 ] - [ -0.0000152900000000, 0.0000091600000000, -0.0001614500000000 ] - [ -0.0000154800000000, 0.0000092400000000, -0.0001613100000000 ] - [ -0.0000166000000000, 0.0000102500000000, -0.0001833900000000 ] - [ -0.0000150000000000, 0.0000095900000000, -0.0001843800000000 ] - [ -0.0000155300000000, 0.0000091300000000, -0.0001836900000000 ] - [ -0.0000160400000000, 0.0000101900000000, -0.0001835300000000 ] - [ 0.0002897900000000, -0.0001638700000000, -0.0007022100000000 ] - [ 0.0002901100000000, 0.0001444100000000, 0.0014229400000000 ] - [ 0.0000229500000000, -0.0000088500000000, 0.0003613800000000 ] - [ -0.0000723600000000, -0.0000083300000000, 0.0003603900000000 ] - [ -0.0000137800000000, 0.0000085500000000, -0.0003274400000000 ] - [ -0.0000154900000000, 0.0000081700000000, -0.0003275200000000 ] - [ -0.0000144100000000, 0.0000087700000000, -0.0003273600000000 ] - [ -0.0000150600000000, 0.0000079500000000, -0.0003269600000000 ] - [ 0.0016200100000000, 0.0000927600000000, 0.0000172800000000 ] - [ -0.0004261600000000, -0.0000018100000000, 0.0000118200000000 ] - [ 0.0290086200000000, -0.0157207100000000, 0.0123288400000000 ] - [ 0.0302288100000000, 0.0166156900000000, -0.0129543400000000 ] - [ -0.0000499500000000, 0.0000086000000000, 0.0004629100000000 ] - [ 0.0000187000000000, 0.0000083700000000, 0.0004628500000000 ] - [ -0.0000131900000000, -0.0000130100000000, 0.0004615200000000 ] - [ -0.0000136800000000, 0.0000293000000000, 0.0004650200000000 ] - [ 0.0000145600000000, -0.0000130000000000, -0.0007312700000000 ] - [ 0.0000147900000000, -0.0000038800000000, -0.0007240000000000 ] - [ 0.0000066000000000, -0.0000078300000000, -0.0007276700000000 ] - [ 0.0000230200000000, -0.0000075300000000, -0.0007281600000000 ] - [ 0.0000155000000000, -0.0000087200000000, -0.0005095600000000 ] - [ 0.0000155500000000, -0.0000089900000000, -0.0005099200000000 ] - [ 0.0000156600000000, -0.0000085900000000, -0.0005098600000000 ] - [ 0.0000151100000000, -0.0000085600000000, -0.0005096000000000 ] - [ 0.0000151300000000, -0.0000085800000000, -0.0002778600000000 ] - [ 0.0000159600000000, -0.0000083200000000, -0.0002777900000000 ] - [ 0.0000153100000000, -0.0000091200000000, -0.0002770100000000 ] - [ 0.0000155800000000, -0.0000086400000000, -0.0002780200000000 ] - [ -0.0000355900000000, 0.0001126900000000, 0.0000725300000000 ] - [ -0.0000365900000000, -0.0000948400000000, 0.0000513400000000 ] - [ 0.0001436200000000, 0.0000085200000000, 0.0000620600000000 ] - [ -0.0001711200000000, 0.0000080400000000, 0.0000615000000000 ] - [ 0.0029325000000000, 0.0000152700000000, -0.0001757500000000 ] - [ -0.0011661900000000, -0.0000089400000000, -0.0000868000000000 ] - [ 0.0000408800000000, 0.0006859300000000, -0.0000035700000000 ] - [ 0.0000396400000000, -0.0007071700000000, -0.0001522300000000 ] - [ 0.0000150900000000, -0.0000090400000000, -0.0005008500000000 ] - [ 0.0000158800000000, -0.0000088900000000, -0.0005005600000000 ] - [ 0.0000152000000000, -0.0000094700000000, -0.0005007300000000 ] - [ 0.0000153000000000, -0.0000090700000000, -0.0005009400000000 ] - [ 0.0000136800000000, -0.0000257500000000, 0.0000851300000000 ] - [ 0.0000129600000000, 0.0000167800000000, -0.0000241600000000 ] - [ -0.0000235400000000, -0.0000025500000000, 0.0000298300000000 ] - [ 0.0000261300000000, -0.0000030300000000, 0.0000320500000000 ] - [ -0.0000045400000000, 0.0000046100000000, -0.0003765400000000 ] - [ -0.0000072100000000, 0.0000040100000000, -0.0003776400000000 ] - [ -0.0000052600000000, 0.0000028900000000, -0.0003779000000000 ] - [ -0.0000063600000000, 0.0000014100000000, -0.0003764600000000 ] - [ -0.0953431600000000, -0.0010411300000000, 0.0010655800000000 ] - [ 0.0166194700000000, -0.0000023900000000, 0.0003255500000000 ] - [ 0.0043885200000000, -0.0070550900000000, 0.0009916200000000 ] - [ 0.0043964900000000, 0.0070634500000000, -0.0003472700000000 ] - [ 0.0000047600000000, -0.0000054600000000, -0.0000078400000000 ] - [ 0.0000062300000000, -0.0000024300000000, -0.0000076400000000 ] - [ 0.0000030600000000, -0.0000030700000000, -0.0000069500000000 ] - [ 0.0000080600000000, -0.0000021800000000, -0.0000086600000000 ] - [ 0.0021849200000000, -0.0015230000000000, 0.0047634600000000 ] - [ 0.0021824000000000, 0.0015229300000000, -0.0032093300000000 ] - [ -0.0004541300000000, 0.0000042700000000, 0.0007665900000000 ] - [ 0.0000128600000000, 0.0000018600000000, 0.0007725800000000 ] - [ -0.0000060600000000, 0.0000032900000000, 0.0001164500000000 ] - [ -0.0000054900000000, 0.0000023300000000, 0.0001165300000000 ] - [ -0.0000049700000000, 0.0000024300000000, 0.0001167100000000 ] - [ -0.0000066000000000, 0.0000027300000000, 0.0001184500000000 ] - [ -0.0007935800000000, -0.0000000400000000, -0.0001552800000000 ] - [ 0.0000732000000000, -0.0000039700000000, -0.0001577700000000 ] - [ 0.0017206200000000, -0.0014514600000000, 0.0018906700000000 ] - [ 0.0017280600000000, 0.0014560100000000, -0.0022194900000000 ] - [ 0.0000052800000000, -0.0000031000000000, 0.0002147900000000 ] - [ 0.0000057700000000, -0.0000039500000000, 0.0002152700000000 ] - [ 0.0000062900000000, -0.0000034400000000, 0.0002154200000000 ] - [ 0.0000046900000000, -0.0000031100000000, 0.0002150500000000 ] - [ 0.0000059800000000, -0.0000037400000000, -0.0002050300000000 ] - [ 0.0000056500000000, -0.0000037000000000, -0.0002019100000000 ] - [ 0.0000058100000000, -0.0000037500000000, -0.0002033000000000 ] - [ 0.0000058500000000, -0.0000038500000000, -0.0002022100000000 ] - [ 0.0000064500000000, -0.0000043900000000, -0.0007965300000000 ] - [ 0.0000043600000000, -0.0000030600000000, -0.0007964500000000 ] - [ 0.0000042200000000, -0.0000025400000000, -0.0007961900000000 ] - [ 0.0000066400000000, -0.0000036300000000, -0.0007967900000000 ] - [ -0.0000070600000000, 0.0000064400000000, -0.0004517100000000 ] - [ -0.0000053500000000, 0.0000016100000000, -0.0004532500000000 ] - [ -0.0000020000000000, 0.0000024200000000, -0.0004530800000000 ] - [ -0.0000106100000000, 0.0000034200000000, -0.0004524100000000 ] - [ -0.0000984400000000, 0.0000023800000000, 0.0001470200000000 ] - [ 0.0004139900000000, 0.0000030200000000, 0.0001478600000000 ] - [ -0.0000084100000000, -0.0000490600000000, 0.0000190400000000 ] - [ -0.0000068100000000, 0.0000557900000000, 0.0002724100000000 ] - [ 0.0000054000000000, -0.0000032600000000, 0.0004966600000000 ] - [ 0.0000052100000000, -0.0000030300000000, 0.0004996500000000 ] - [ 0.0000052800000000, -0.0000044200000000, 0.0004990900000000 ] - [ 0.0000056800000000, -0.0000047800000000, 0.0004954500000000 ] - [ -0.0000350400000000, -0.0000038100000000, 0.0002105100000000 ] - [ 0.0002255600000000, -0.0000020300000000, 0.0002093800000000 ] - [ -0.0000366000000000, -0.0001538000000000, 0.0004463700000000 ] - [ -0.0000327100000000, 0.0001466600000000, -0.0000286100000000 ] - [ -0.0000093000000000, 0.0000029200000000, 0.0005526300000000 ] - [ -0.0000034900000000, 0.0000017800000000, 0.0005512900000000 ] - [ 0.0000095800000000, 0.0000110400000000, 0.0004617300000000 ] - [ 0.0000077200000000, -0.0000029600000000, 0.0006405500000000 ] - [ 0.0000002400000000, 0.0000034700000000, -0.0001646200000000 ] - [ -0.0000107400000000, 0.0000035700000000, -0.0001639300000000 ] - [ -0.0000064500000000, 0.0000065300000000, -0.0001766500000000 ] - [ -0.0000061500000000, -0.0000009900000000, -0.0001532600000000 ] - [ -0.0000070700000000, 0.0000005200000000, 0.0002765200000000 ] - [ -0.0000057500000000, 0.0000070600000000, 0.0002971200000000 ] - [ -0.0000120700000000, 0.0000027100000000, 0.0002876400000000 ] - [ 0.0000024200000000, 0.0000033100000000, 0.0002879700000000 ] - [ 0.0000068500000000, -0.0000040100000000, -0.0001129900000000 ] - [ 0.0000042500000000, -0.0000010700000000, -0.0001142500000000 ] - [ 0.0000030300000000, -0.0000032800000000, -0.0001152900000000 ] - [ 0.0000080300000000, -0.0000048000000000, -0.0001127400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000003400000000, -0.0008246000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008251300000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0008246000000000 ] - [ 0.0000002900000000, 0.0000001700000000, -0.0008246000000000 ] - [ -0.0000016700000000, 0.0000009600000000, -0.0000737500000000 ] - [ 0.0000016700000000, 0.0000009600000000, -0.0000737500000000 ] - [ 0.0000000000000000, -0.0000019300000000, -0.0000737500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000946400000000 ] - [ 0.0000000000000000, -0.0000653700000000, -0.0002700000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008128600000000 ] - [ -0.0000566100000000, 0.0000326800000000, -0.0002700000000000 ] - [ 0.0000566100000000, 0.0000326800000000, -0.0002700000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000880400000000 ] - [ 0.0000000000000000, 0.0000262400000000, 0.0000118900000000 ] - [ -0.0000227300000000, -0.0000131200000000, 0.0000118900000000 ] - [ 0.0000227300000000, -0.0000131200000000, 0.0000118900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000068700000000 ] - [ 0.0000000000000000, 0.0000003000000000, -0.0000079700000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0000079700000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0000079700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007829600000000 ] - [ 0.0000000000000000, -0.0018447400000000, 0.0005489400000000 ] - [ 0.0015976000000000, 0.0009223700000000, 0.0005489400000000 ] - [ -0.0015976000000000, 0.0009223700000000, 0.0005489400000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0005780000000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0005780000000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0005780000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005776900000000 ] - [ 0.0000000000000000, -0.0000011400000000, -0.0006055700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006061900000000 ] - [ -0.0000009900000000, 0.0000005700000000, -0.0006055700000000 ] - [ 0.0000009900000000, 0.0000005700000000, -0.0006055700000000 ] - [ 0.0007213700000000, -0.0004164800000000, -0.0003823900000000 ] - [ -0.0007213700000000, -0.0004164800000000, -0.0003823900000000 ] - [ 0.0000000000000000, 0.0008329700000000, -0.0003823900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009629400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007415200000000 ] - [ 0.0000000000000000, -0.0000003200000000, -0.0007440700000000 ] - [ 0.0000002800000000, 0.0000001600000000, -0.0007440700000000 ] - [ -0.0000002800000000, 0.0000001600000000, -0.0007440700000000 ] - [ 0.0000000000000000, 0.0130798500000000, 0.0100133600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026134900000000 ] - [ 0.0113274800000000, -0.0065399300000000, 0.0100133600000000 ] - [ -0.0113274800000000, -0.0065399300000000, 0.0100133600000000 ] - [ 0.0000000000000000, -0.0000275900000000, 0.0000489900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000263100000000 ] - [ -0.0000238900000000, 0.0000137900000000, 0.0000489900000000 ] - [ 0.0000238900000000, 0.0000137900000000, 0.0000489900000000 ] - [ 0.0000008700000000, -0.0000005000000000, -0.0011517900000000 ] - [ -0.0000008700000000, -0.0000005000000000, -0.0011517900000000 ] - [ 0.0000000000000000, 0.0000010100000000, -0.0011517900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011475600000000 ] - [ 0.0000004200000000, -0.0000002400000000, -0.0009284400000000 ] - [ -0.0000004200000000, -0.0000002400000000, -0.0009284400000000 ] - [ 0.0000000000000000, 0.0000004800000000, -0.0009284400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009293600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006867600000000 ] - [ 0.0000000000000000, -0.0000009200000000, -0.0006869300000000 ] - [ 0.0000008000000000, 0.0000004600000000, -0.0006869300000000 ] - [ -0.0000008000000000, 0.0000004600000000, -0.0006869300000000 ] - [ -0.0001383500000000, 0.0000798700000000, -0.0003020700000000 ] - [ 0.0001383500000000, 0.0000798700000000, -0.0003020700000000 ] - [ 0.0000000000000000, -0.0001597500000000, -0.0003020700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005276900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0482239000000000 ] - [ 0.0000000000000000, -0.0008166400000000, 0.0025739400000000 ] - [ 0.0007072300000000, 0.0004083200000000, 0.0025739400000000 ] - [ -0.0007072300000000, 0.0004083200000000, 0.0025739400000000 ] - [ 0.0000000000000000, 0.0000004900000000, -0.0009202000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009204900000000 ] - [ 0.0000004200000000, -0.0000002500000000, -0.0009202000000000 ] - [ -0.0000004200000000, -0.0000002500000000, -0.0009202000000000 ] - [ 0.0000376000000000, -0.0000217100000000, 0.0004762300000000 ] - [ -0.0000376000000000, -0.0000217100000000, 0.0004762300000000 ] - [ 0.0000000000000000, 0.0000434200000000, 0.0004762300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003908900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000435600000000 ] - [ 0.0000000000000000, -0.0000003700000000, 0.0000431100000000 ] - [ 0.0000003200000000, 0.0000001800000000, 0.0000431100000000 ] - [ -0.0000003200000000, 0.0000001800000000, 0.0000431100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1029094400000000 ] - [ 0.0000000000000000, -0.0007757900000000, -0.0025170500000000 ] - [ 0.0006718500000000, 0.0003878900000000, -0.0025170500000000 ] - [ -0.0006718500000000, 0.0003878900000000, -0.0025170500000000 ] - [ 0.0000000000000000, -0.0000012500000000, 0.0003944900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003952300000000 ] - [ -0.0000010800000000, 0.0000006200000000, 0.0003944900000000 ] - [ 0.0000010800000000, 0.0000006200000000, 0.0003944900000000 ] - [ 0.0021010700000000, -0.0012130500000000, 0.0049816700000000 ] - [ -0.0021010700000000, -0.0012130500000000, 0.0049816700000000 ] - [ 0.0000000000000000, 0.0024261000000000, 0.0049816700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005206400000000 ] - [ 0.0000000000000000, -0.0000001600000000, 0.0005431600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005450900000000 ] - [ -0.0000001400000000, 0.0000000800000000, 0.0005431600000000 ] - [ 0.0000001400000000, 0.0000000800000000, 0.0005431600000000 ] - [ 0.0000000000000000, 0.0039256100000000, 0.0040934300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015221300000000 ] - [ 0.0033996800000000, -0.0019628100000000, 0.0040934300000000 ] - [ -0.0033996800000000, -0.0019628100000000, 0.0040934300000000 ] - [ -0.0000002900000000, 0.0000001600000000, 0.0006322500000000 ] - [ 0.0000002900000000, 0.0000001600000000, 0.0006322500000000 ] - [ 0.0000000000000000, -0.0000003300000000, 0.0006322500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006324500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002133300000000 ] - [ 0.0000000000000000, -0.0000004200000000, 0.0002152500000000 ] - [ 0.0000003700000000, 0.0000002100000000, 0.0002152500000000 ] - [ -0.0000003700000000, 0.0000002100000000, 0.0002152500000000 ] - [ 0.0000010500000000, -0.0000006000000000, -0.0003767200000000 ] - [ -0.0000010500000000, -0.0000006000000000, -0.0003767200000000 ] - [ 0.0000000000000000, 0.0000012100000000, -0.0003767200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003752200000000 ] - [ -0.0000003300000000, 0.0000001900000000, -0.0000516100000000 ] - [ 0.0000003300000000, 0.0000001900000000, -0.0000516100000000 ] - [ 0.0000000000000000, -0.0000003800000000, -0.0000516100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000489600000000 ] - [ 0.0000000000000000, -0.0000315000000000, 0.0002089200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016910600000000 ] - [ -0.0000272800000000, 0.0000157500000000, 0.0002089200000000 ] - [ 0.0000272800000000, 0.0000157500000000, 0.0002089200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009200400000000 ] - [ 0.0000000000000000, -0.0000023500000000, 0.0009216700000000 ] - [ 0.0000020300000000, 0.0000011700000000, 0.0009216700000000 ] - [ -0.0000020300000000, 0.0000011700000000, 0.0009216700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002362800000000 ] - [ 0.0000000000000000, 0.0003983800000000, 0.0007607000000000 ] - [ -0.0003450100000000, -0.0001991900000000, 0.0007607000000000 ] - [ 0.0003450100000000, -0.0001991900000000, 0.0007607000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008271300000000 ] - [ 0.0000000000000000, 0.0000526700000000, 0.0009952900000000 ] - [ -0.0000456200000000, -0.0000263400000000, 0.0009952900000000 ] - [ 0.0000456200000000, -0.0000263400000000, 0.0009952900000000 ] - [ 0.0000000000000000, 0.0000063000000000, 0.0002598800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002512900000000 ] - [ 0.0000054500000000, -0.0000031500000000, 0.0002598800000000 ] - [ -0.0000054500000000, -0.0000031500000000, 0.0002598800000000 ] - [ -0.0000057900000000, 0.0000033400000000, 0.0006990300000000 ] - [ 0.0000057900000000, 0.0000033400000000, 0.0006990300000000 ] - [ 0.0000000000000000, -0.0000066900000000, 0.0006990300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007537700000000 ] - [ 0.0000000000000000, -0.0000003300000000, 0.0003042900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003053400000000 ] - [ -0.0000002800000000, 0.0000001600000000, 0.0003042900000000 ] - [ 0.0000002800000000, 0.0000001600000000, 0.0003042900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000002800000000, 0.0000077600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000084500000000 ] - [ -0.0000002500000000, 0.0000001400000000, 0.0000077600000000 ] - [ 0.0000002500000000, 0.0000001400000000, 0.0000077600000000 ] - [ 0.0000010200000000, -0.0000005900000000, 0.0007502200000000 ] - [ -0.0000010200000000, -0.0000005900000000, 0.0007502200000000 ] - [ 0.0000000000000000, 0.0000011800000000, 0.0007502200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007715200000000 ] - [ 0.0000000000000000, 0.0000650100000000, 0.0002973800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008372100000000 ] - [ 0.0000563000000000, -0.0000325000000000, 0.0002973800000000 ] - [ -0.0000563000000000, -0.0000325000000000, 0.0002973800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008194000000000 ] - [ 0.0000000000000000, -0.0000265700000000, 0.0008943900000000 ] - [ 0.0000230100000000, 0.0000132900000000, 0.0008943900000000 ] - [ -0.0000230100000000, 0.0000132900000000, 0.0008943900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008179100000000 ] - [ 0.0000000000000000, -0.0000002900000000, 0.0008188900000000 ] - [ 0.0000002500000000, 0.0000001500000000, 0.0008188900000000 ] - [ -0.0000002500000000, 0.0000001500000000, 0.0008188900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011647200000000 ] - [ 0.0000000000000000, 0.0018564400000000, -0.0001672000000000 ] - [ -0.0016077300000000, -0.0009282200000000, -0.0001672000000000 ] - [ 0.0016077300000000, -0.0009282200000000, -0.0001672000000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0002544400000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0002544400000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0002544400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002537400000000 ] - [ 0.0000000000000000, 0.0000004700000000, 0.0002367000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002365900000000 ] - [ 0.0000004000000000, -0.0000002300000000, 0.0002367000000000 ] - [ -0.0000004000000000, -0.0000002300000000, 0.0002367000000000 ] - [ -0.0007154600000000, 0.0004130700000000, 0.0011060300000000 ] - [ 0.0007154600000000, 0.0004130700000000, 0.0011060300000000 ] - [ 0.0000000000000000, -0.0008261400000000, 0.0011060300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002380900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000882100000000 ] - [ 0.0000000000000000, 0.0000008800000000, 0.0000916100000000 ] - [ -0.0000007600000000, -0.0000004400000000, 0.0000916100000000 ] - [ 0.0000007600000000, -0.0000004400000000, 0.0000916100000000 ] - [ 0.0000000000000000, -0.0132563700000000, -0.0098660100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026072400000000 ] - [ -0.0114803500000000, 0.0066281800000000, -0.0098660100000000 ] - [ 0.0114803500000000, 0.0066281800000000, -0.0098660100000000 ] - [ 0.0000000000000000, 0.0000273500000000, 0.0008741200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008967500000000 ] - [ 0.0000236800000000, -0.0000136700000000, 0.0008741200000000 ] - [ -0.0000236800000000, -0.0000136700000000, 0.0008741200000000 ] - [ -0.0000009800000000, 0.0000005600000000, -0.0003055000000000 ] - [ 0.0000009800000000, 0.0000005600000000, -0.0003055000000000 ] - [ 0.0000000000000000, -0.0000011300000000, -0.0003055000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003102000000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0000936100000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0000936100000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0000936100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000932900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001383600000000 ] - [ 0.0000000000000000, 0.0000014200000000, 0.0001401500000000 ] - [ -0.0000012300000000, -0.0000007100000000, 0.0001401500000000 ] - [ 0.0000012300000000, -0.0000007100000000, 0.0001401500000000 ] - [ 0.0001397100000000, -0.0000806600000000, 0.0004332700000000 ] - [ -0.0001397100000000, -0.0000806600000000, 0.0004332700000000 ] - [ 0.0000000000000000, 0.0001613200000000, 0.0004332700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006602600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0458243700000000 ] - [ 0.0000000000000000, 0.0008186600000000, -0.0027319800000000 ] - [ -0.0007089800000000, -0.0004093300000000, -0.0027319800000000 ] - [ 0.0007089800000000, -0.0004093300000000, -0.0027319800000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0000818000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000820500000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0000818000000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0000818000000000 ] - [ -0.0000378300000000, 0.0000218400000000, -0.0004114700000000 ] - [ 0.0000378300000000, 0.0000218400000000, -0.0004114700000000 ] - [ 0.0000000000000000, -0.0000436800000000, -0.0004114700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003235400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007923100000000 ] - [ 0.0000000000000000, -0.0000020100000000, -0.0007938300000000 ] - [ 0.0000017400000000, 0.0000010000000000, -0.0007938300000000 ] - [ -0.0000017400000000, 0.0000010000000000, -0.0007938300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1006493300000000 ] - [ 0.0000000000000000, 0.0007691900000000, 0.0031695600000000 ] - [ -0.0006661400000000, -0.0003846000000000, 0.0031695600000000 ] - [ 0.0006661400000000, -0.0003846000000000, 0.0031695600000000 ] - [ 0.0000000000000000, -0.0000030400000000, -0.0004272800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004260900000000 ] - [ -0.0000026300000000, 0.0000015200000000, -0.0004272800000000 ] - [ 0.0000026300000000, 0.0000015200000000, -0.0004272800000000 ] - [ -0.0020543200000000, 0.0011860600000000, -0.0033589100000000 ] - [ 0.0020543200000000, 0.0011860600000000, -0.0033589100000000 ] - [ 0.0000000000000000, -0.0023721300000000, -0.0033589100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020738700000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0003035700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003020000000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0003035700000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0003035700000000 ] - [ 0.0000000000000000, -0.0039685700000000, -0.0044715500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012151300000000 ] - [ -0.0034368800000000, 0.0019842800000000, -0.0044715500000000 ] - [ 0.0034368800000000, 0.0019842800000000, -0.0044715500000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0002029200000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0002029200000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0002029200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002029300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006190400000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0006164500000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0006164500000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0006164500000000 ] - [ 0.0000005100000000, -0.0000003000000000, -0.0012209400000000 ] - [ -0.0000005100000000, -0.0000003000000000, -0.0012209400000000 ] - [ 0.0000000000000000, 0.0000005900000000, -0.0012209400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012207500000000 ] - [ -0.0000004700000000, 0.0000002700000000, -0.0008705000000000 ] - [ 0.0000004700000000, 0.0000002700000000, -0.0008705000000000 ] - [ 0.0000000000000000, -0.0000005400000000, -0.0008705000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008725900000000 ] - [ 0.0000000000000000, 0.0000297900000000, 0.0000823000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013874800000000 ] - [ 0.0000258000000000, -0.0000148900000000, 0.0000823000000000 ] - [ -0.0000258000000000, -0.0000148900000000, 0.0000823000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000783600000000 ] - [ 0.0000000000000000, 0.0000036100000000, 0.0000775500000000 ] - [ -0.0000031300000000, -0.0000018100000000, 0.0000775500000000 ] - [ 0.0000031300000000, -0.0000018100000000, 0.0000775500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001801800000000 ] - [ 0.0000000000000000, -0.0003994500000000, -0.0003526000000000 ] - [ 0.0003459300000000, 0.0001997200000000, -0.0003526000000000 ] - [ -0.0003459300000000, 0.0001997200000000, -0.0003526000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002611500000000 ] - [ 0.0000000000000000, -0.0000544600000000, 0.0000890200000000 ] - [ 0.0000471700000000, 0.0000272300000000, 0.0000890200000000 ] - [ -0.0000471700000000, 0.0000272300000000, 0.0000890200000000 ] - [ 0.0000000000000000, -0.0000068300000000, -0.0005897100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005803500000000 ] - [ -0.0000059200000000, 0.0000034200000000, -0.0005897100000000 ] - [ 0.0000059200000000, 0.0000034200000000, -0.0005897100000000 ] - [ 0.0000033500000000, -0.0000019300000000, -0.0001200500000000 ] - [ -0.0000033500000000, -0.0000019300000000, -0.0001200500000000 ] - [ 0.0000000000000000, 0.0000038600000000, -0.0001200500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001711600000000 ] - [ 0.0000000000000000, -0.0000013100000000, -0.0005269300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005295100000000 ] - [ -0.0000011400000000, 0.0000006600000000, -0.0005269300000000 ] - [ 0.0000011400000000, 0.0000006600000000, -0.0005269300000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000205300000000, 0.0000096800000000, -0.0004024800000000 ] - [ -0.0000479900000000, 0.0000113300000000, -0.0003998900000000 ] - [ -0.0000456400000000, 0.0000103000000000, -0.0003589700000000 ] - [ -0.0000428100000000, 0.0000060400000000, -0.0004436200000000 ] - [ -0.0000175600000000, 0.0000123000000000, 0.0003372700000000 ] - [ -0.0000123300000000, 0.0000132000000000, 0.0003330400000000 ] - [ -0.0000151300000000, 0.0000033000000000, 0.0003333300000000 ] - [ -0.0000141600000000, 0.0000062400000000, 0.0003327200000000 ] - [ 0.0000117800000000, -0.0000100000000000, 0.0000373400000000 ] - [ 0.0000186100000000, -0.0000092000000000, 0.0000348600000000 ] - [ 0.0000146600000000, -0.0000102100000000, 0.0000350600000000 ] - [ 0.0000159500000000, -0.0000064900000000, 0.0000346300000000 ] - [ 0.0000134900000000, -0.0000082800000000, 0.0004341000000000 ] - [ 0.0000172600000000, -0.0000071400000000, 0.0004327700000000 ] - [ 0.0000144900000000, -0.0000104200000000, 0.0004337800000000 ] - [ 0.0000162800000000, -0.0000081200000000, 0.0004324500000000 ] - [ 0.0015440500000000, -0.0000912200000000, 0.0004289000000000 ] - [ -0.0004922000000000, 0.0000041500000000, 0.0004245800000000 ] - [ 0.0304362600000000, -0.0167829100000000, -0.0126420100000000 ] - [ 0.0292121800000000, 0.0158786100000000, 0.0128410800000000 ] - [ -0.0000178200000000, 0.0000063400000000, 0.0001734000000000 ] - [ -0.0000121700000000, 0.0000107300000000, 0.0001729600000000 ] - [ -0.0000188200000000, 0.0000098300000000, 0.0001742500000000 ] - [ -0.0000112300000000, 0.0000130300000000, 0.0001727700000000 ] - [ -0.0000224800000000, -0.0003901900000000, 0.0000528100000000 ] - [ -0.0000201900000000, 0.0004128100000000, -0.0003960100000000 ] - [ -0.0015581300000000, 0.0000071900000000, -0.0001719700000000 ] - [ 0.0006741100000000, 0.0000084200000000, -0.0001712100000000 ] - [ 0.0029529700000000, -0.0000179100000000, -0.0002907600000000 ] - [ -0.0012139200000000, 0.0000130000000000, -0.0002008500000000 ] - [ 0.0000022100000000, 0.0007174000000000, -0.0002609900000000 ] - [ 0.0000152500000000, -0.0006946000000000, -0.0001269600000000 ] - [ 0.0000183400000000, -0.0000066800000000, 0.0003552600000000 ] - [ 0.0000136300000000, -0.0000077900000000, 0.0003583800000000 ] - [ 0.0000169300000000, -0.0000089600000000, 0.0003560900000000 ] - [ 0.0000151400000000, -0.0000116700000000, 0.0003552700000000 ] - [ 0.0000115900000000, 0.0000055400000000, -0.0003237100000000 ] - [ -0.0000470200000000, 0.0000096400000000, -0.0003222900000000 ] - [ -0.0000183900000000, 0.0000243100000000, -0.0003249000000000 ] - [ -0.0000112100000000, -0.0000062600000000, -0.0003147900000000 ] - [ 0.0000167800000000, -0.0000084600000000, -0.0000000400000000 ] - [ 0.0000137500000000, -0.0000063000000000, 0.0000047600000000 ] - [ 0.0000133900000000, -0.0000090400000000, 0.0000039100000000 ] - [ 0.0000173100000000, -0.0000107300000000, 0.0000058000000000 ] - [ -0.0000125600000000, 0.0000038900000000, 0.0004533300000000 ] - [ -0.0000153700000000, 0.0000090500000000, 0.0004503600000000 ] - [ -0.0000185200000000, 0.0000109300000000, 0.0004472900000000 ] - [ -0.0000095700000000, 0.0000095000000000, 0.0004531000000000 ] - [ 0.0000159400000000, -0.0000090000000000, -0.0007362800000000 ] - [ 0.0000137300000000, -0.0000025900000000, -0.0007461800000000 ] - [ 0.0000097200000000, -0.0000096300000000, -0.0007443100000000 ] - [ 0.0000203300000000, -0.0000110700000000, -0.0007458300000000 ] - [ 0.0003560500000000, 0.0003125000000000, -0.0015654600000000 ] - [ 0.0003611400000000, -0.0003288100000000, 0.0005207200000000 ] - [ 0.0001794700000000, -0.0000101300000000, -0.0005192100000000 ] - [ -0.0001967400000000, -0.0000068600000000, -0.0005235500000000 ] - [ 0.0000072100000000, -0.0000050500000000, -0.0002456000000000 ] - [ 0.0000231100000000, -0.0000037100000000, -0.0002405600000000 ] - [ 0.0000156000000000, -0.0000184600000000, -0.0002070600000000 ] - [ 0.0000180800000000, -0.0000074100000000, -0.0002804800000000 ] - [ -0.0000178600000000, 0.0000089500000000, 0.0000944000000000 ] - [ -0.0000129700000000, 0.0000069600000000, 0.0000969700000000 ] - [ -0.0000136500000000, 0.0000077800000000, 0.0000958800000000 ] - [ -0.0000171700000000, 0.0000105400000000, 0.0000926100000000 ] - [ 0.0000186200000000, -0.0000065100000000, -0.0000753000000000 ] - [ 0.0000140500000000, -0.0000071100000000, -0.0000767100000000 ] - [ 0.0000169600000000, -0.0000102300000000, -0.0000745000000000 ] - [ 0.0000158500000000, -0.0000128500000000, -0.0000739300000000 ] - [ -0.0000469100000000, -0.0000092700000000, -0.0005031600000000 ] - [ 0.0001033100000000, -0.0000137700000000, -0.0005028200000000 ] - [ 0.0000116600000000, -0.0000619400000000, -0.0003618300000000 ] - [ 0.0000039000000000, 0.0000484100000000, -0.0006439000000000 ] - [ 0.0000071800000000, -0.0000047300000000, 0.0000423000000000 ] - [ 0.0000031000000000, -0.0000073000000000, 0.0000398500000000 ] - [ 0.0000073400000000, -0.0000001400000000, 0.0000344900000000 ] - [ 0.0000025000000000, -0.0000025300000000, 0.0000509100000000 ] - [ -0.0000187900000000, 0.0000020900000000, -0.0003607600000000 ] - [ 0.0000036800000000, 0.0000040800000000, -0.0003698400000000 ] - [ 0.0000029000000000, -0.0000099500000000, -0.0004637000000000 ] - [ 0.0000060500000000, 0.0000168800000000, -0.0002673700000000 ] - [ -0.0000036400000000, 0.0000016300000000, 0.0003268400000000 ] - [ -0.0000080700000000, 0.0000030400000000, 0.0003331900000000 ] - [ -0.0000070800000000, 0.0000044400000000, 0.0003248400000000 ] - [ -0.0000046100000000, 0.0000017800000000, 0.0003231800000000 ] - [ -0.0962669100000000, 0.0010466900000000, 0.0007222300000000 ] - [ 0.0166246100000000, 0.0000006400000000, -0.0000148600000000 ] - [ 0.0044206800000000, -0.0070516000000000, -0.0006787100000000 ] - [ 0.0044133900000000, 0.0070444000000000, 0.0006414500000000 ] - [ -0.0000049300000000, 0.0000034200000000, 0.0007731800000000 ] - [ -0.0000073800000000, 0.0000064300000000, 0.0007732000000000 ] - [ -0.0000086500000000, 0.0000030100000000, 0.0007747700000000 ] - [ -0.0000038100000000, 0.0000012700000000, 0.0007771200000000 ] - [ -0.0000498000000000, 0.0000055600000000, 0.0001200700000000 ] - [ 0.0002165300000000, 0.0000026200000000, 0.0001206500000000 ] - [ -0.0000441800000000, -0.0001501400000000, -0.0002200700000000 ] - [ -0.0000489500000000, 0.0001533500000000, 0.0004715100000000 ] - [ 0.0000045800000000, -0.0000018200000000, -0.0001535700000000 ] - [ 0.0000063400000000, -0.0000032600000000, -0.0001645400000000 ] - [ 0.0000067100000000, -0.0000049100000000, -0.0001620200000000 ] - [ 0.0000041700000000, -0.0000035800000000, -0.0001567400000000 ] - [ 0.0000029500000000, 0.0000481700000000, 0.0001898600000000 ] - [ 0.0000046100000000, -0.0000569900000000, 0.0002395000000000 ] - [ 0.0004271900000000, -0.0000035200000000, 0.0002090400000000 ] - [ -0.0000874300000000, -0.0000018900000000, 0.0002159300000000 ] - [ -0.0004497500000000, -0.0000074200000000, -0.0001950400000000 ] - [ 0.0000273900000000, -0.0000045700000000, -0.0001914400000000 ] - [ 0.0022069400000000, -0.0015393300000000, -0.0022606400000000 ] - [ 0.0021965800000000, 0.0015222600000000, 0.0018607000000000 ] - [ 0.0022543600000000, 0.0015308600000000, 0.0032023900000000 ] - [ 0.0022513000000000, -0.0015267200000000, -0.0047940700000000 ] - [ 0.0000067700000000, -0.0000040100000000, -0.0008004000000000 ] - [ -0.0003949900000000, -0.0000060800000000, -0.0008092500000000 ] - [ -0.0000059300000000, -0.0000028200000000, -0.0004813400000000 ] - [ -0.0000073700000000, 0.0000052800000000, -0.0004633700000000 ] - [ -0.0000108200000000, 0.0000060900000000, -0.0004743600000000 ] - [ 0.0000004900000000, 0.0000052200000000, -0.0004690500000000 ] - [ -0.0000064200000000, 0.0000027100000000, 0.0001535700000000 ] - [ -0.0000054500000000, 0.0000020400000000, 0.0001586000000000 ] - [ -0.0000054900000000, 0.0000035600000000, 0.0001587300000000 ] - [ -0.0000061900000000, 0.0000040700000000, 0.0001557900000000 ] - [ -0.0000014800000000, -0.0000026400000000, 0.0005025100000000 ] - [ 0.0000151400000000, -0.0000043200000000, 0.0005096300000000 ] - [ 0.0000067100000000, -0.0000082700000000, 0.0005071100000000 ] - [ 0.0000037700000000, -0.0000003800000000, 0.0004886700000000 ] - [ 0.0000059700000000, -0.0000032900000000, 0.0001962400000000 ] - [ 0.0000061300000000, -0.0000007500000000, 0.0001993700000000 ] - [ 0.0000037700000000, -0.0000046600000000, 0.0001953300000000 ] - [ 0.0000082200000000, -0.0000047600000000, 0.0002043100000000 ] - [ -0.0000059200000000, 0.0000029300000000, 0.0005426900000000 ] - [ -0.0000055600000000, 0.0000020100000000, 0.0005384000000000 ] - [ -0.0000049500000000, 0.0000039300000000, 0.0005348600000000 ] - [ -0.0000066700000000, 0.0000040500000000, 0.0005364900000000 ] - [ -0.0000028800000000, 0.0000028700000000, -0.0001703600000000 ] - [ -0.0000092300000000, 0.0000054000000000, -0.0001636600000000 ] - [ -0.0000080800000000, 0.0000040300000000, -0.0001682400000000 ] - [ -0.0000035100000000, 0.0000003800000000, -0.0001712800000000 ] - [ -0.0000067200000000, 0.0000049800000000, 0.0002817200000000 ] - [ -0.0000054400000000, 0.0000057900000000, 0.0002881700000000 ] - [ -0.0000069700000000, 0.0000013100000000, 0.0002877500000000 ] - [ -0.0000053200000000, 0.0000013600000000, 0.0002899600000000 ] - [ 0.0000052500000000, -0.0000035900000000, -0.0001108000000000 ] - [ 0.0000048400000000, -0.0000008100000000, -0.0001161900000000 ] - [ 0.0000176300000000, 0.0000045900000000, -0.0000652900000000 ] - [ 0.0000224600000000, -0.0000133700000000, -0.0001582200000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007860700000000 ] - [ 0.0000000000000000, 0.0005200900000000, -0.0008442100000000 ] - [ -0.0004504100000000, -0.0002600400000000, -0.0008442100000000 ] - [ 0.0004504100000000, -0.0002600400000000, -0.0008442100000000 ] - [ -0.0000161400000000, -0.0000093200000000, -0.0000727000000000 ] - [ 0.0000161400000000, -0.0000093200000000, -0.0000727000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000733800000000 ] - [ 0.0000000000000000, 0.0000186400000000, -0.0000727000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003988000000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0003964700000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0003964700000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0003964700000000 ] - [ 0.0000000000000000, 0.0000045400000000, 0.0000380400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000345900000000 ] - [ 0.0000039300000000, -0.0000022700000000, 0.0000380400000000 ] - [ -0.0000039300000000, -0.0000022700000000, 0.0000380400000000 ] - [ 0.0000000000000000, -0.0130945000000000, 0.0104416900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028914500000000 ] - [ -0.0113401700000000, 0.0065472500000000, 0.0104416900000000 ] - [ 0.0113401700000000, 0.0065472500000000, 0.0104416900000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0002215100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002211000000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0002215100000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0002215100000000 ] - [ 0.0009243400000000, 0.0005336700000000, -0.0004842000000000 ] - [ -0.0009243400000000, 0.0005336700000000, -0.0004842000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004271500000000 ] - [ 0.0000000000000000, -0.0010673300000000, -0.0004842000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0483103000000000 ] - [ 0.0000000000000000, 0.0008000300000000, 0.0024342600000000 ] - [ -0.0006928500000000, -0.0004000200000000, 0.0024342600000000 ] - [ 0.0006928500000000, -0.0004000200000000, 0.0024342600000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0000470000000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0000470000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000470400000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0000470000000000 ] - [ 0.0000000000000000, -0.0000678400000000, -0.0007439000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007187200000000 ] - [ -0.0000587500000000, 0.0000339200000000, -0.0007439000000000 ] - [ 0.0000587500000000, 0.0000339200000000, -0.0007439000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004004900000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0004014500000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0004014500000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0004014500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000539700000000 ] - [ 0.0000000000000000, -0.0000002300000000, 0.0000511200000000 ] - [ 0.0000002000000000, 0.0000001200000000, 0.0000511200000000 ] - [ -0.0000002000000000, 0.0000001200000000, 0.0000511200000000 ] - [ 0.0000013900000000, 0.0000008000000000, -0.0011458000000000 ] - [ -0.0000013900000000, 0.0000008000000000, -0.0011458000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011440100000000 ] - [ 0.0000000000000000, -0.0000016000000000, -0.0011458000000000 ] - [ 0.0005719200000000, 0.0003302000000000, -0.0013120500000000 ] - [ -0.0005719200000000, 0.0003302000000000, -0.0013120500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002443800000000 ] - [ 0.0000000000000000, -0.0006604000000000, -0.0013120500000000 ] - [ 0.0000000000000000, -0.0000058700000000, -0.0006928100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006603500000000 ] - [ -0.0000050800000000, 0.0000029400000000, -0.0006928100000000 ] - [ 0.0000050800000000, 0.0000029400000000, -0.0006928100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003461000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003461000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003461900000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0003461000000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0004904200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004903200000000 ] - [ 0.0000001800000000, -0.0000001000000000, -0.0004904200000000 ] - [ -0.0000001800000000, -0.0000001000000000, -0.0004904200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008312700000000 ] - [ 0.0000000000000000, -0.0000808500000000, -0.0009432900000000 ] - [ 0.0000700200000000, 0.0000404300000000, -0.0009432900000000 ] - [ -0.0000700200000000, 0.0000404300000000, -0.0009432900000000 ] - [ -0.0000001800000000, -0.0000001000000000, 0.0004474300000000 ] - [ 0.0000001800000000, -0.0000001000000000, 0.0004474300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004492800000000 ] - [ 0.0000000000000000, 0.0000002100000000, 0.0004474300000000 ] - [ 0.0000000000000000, -0.0000263200000000, 0.0000558300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000471100000000 ] - [ -0.0000227900000000, 0.0000131600000000, 0.0000558300000000 ] - [ 0.0000227900000000, 0.0000131600000000, 0.0000558300000000 ] - [ 0.0000000000000000, 0.0000014100000000, 0.0007389300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007396400000000 ] - [ 0.0000012200000000, -0.0000007000000000, 0.0007389300000000 ] - [ -0.0000012200000000, -0.0000007000000000, 0.0007389300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1026630500000000 ] - [ 0.0000000000000000, 0.0007742600000000, -0.0028121200000000 ] - [ -0.0006705300000000, -0.0003871300000000, -0.0028121200000000 ] - [ 0.0006705300000000, -0.0003871300000000, -0.0028121200000000 ] - [ 0.0000013100000000, 0.0000007500000000, 0.0011809000000000 ] - [ -0.0000013100000000, 0.0000007500000000, 0.0011809000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011810400000000 ] - [ 0.0000000000000000, -0.0000015100000000, 0.0011809000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001416300000000 ] - [ 0.0000000000000000, -0.0002761600000000, 0.0006750600000000 ] - [ 0.0002391600000000, 0.0001380800000000, 0.0006750600000000 ] - [ -0.0002391600000000, 0.0001380800000000, 0.0006750600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002536500000000 ] - [ 0.0000000000000000, -0.0000004300000000, 0.0002550400000000 ] - [ 0.0000003700000000, 0.0000002100000000, 0.0002550400000000 ] - [ -0.0000003700000000, 0.0000002100000000, 0.0002550400000000 ] - [ -0.0001270900000000, -0.0000733700000000, 0.0002716700000000 ] - [ 0.0001270900000000, -0.0000733700000000, 0.0002716700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017339700000000 ] - [ 0.0000000000000000, 0.0001467500000000, 0.0002716700000000 ] - [ 0.0000000000000000, -0.0045979300000000, 0.0039235800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014823500000000 ] - [ -0.0039819300000000, 0.0022989700000000, 0.0039235800000000 ] - [ 0.0039819300000000, 0.0022989700000000, 0.0039235800000000 ] - [ 0.0021139400000000, 0.0012204800000000, 0.0034242600000000 ] - [ -0.0021139400000000, 0.0012204800000000, 0.0034242600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021203700000000 ] - [ 0.0000000000000000, -0.0024409700000000, 0.0034242600000000 ] - [ 0.0000047300000000, 0.0000027300000000, -0.0000429500000000 ] - [ -0.0000047300000000, 0.0000027300000000, -0.0000429500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000499000000000 ] - [ 0.0000000000000000, -0.0000054700000000, -0.0000429500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005555500000000 ] - [ 0.0000000000000000, 0.0000002600000000, 0.0005579200000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0005579200000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0005579200000000 ] - [ 0.0000000000000000, 0.0000142700000000, 0.0008983200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009560700000000 ] - [ 0.0000123600000000, -0.0000071400000000, 0.0008983200000000 ] - [ -0.0000123600000000, -0.0000071400000000, 0.0008983200000000 ] - [ 0.0000000000000000, 0.0000018300000000, 0.0006202200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006201100000000 ] - [ 0.0000015900000000, -0.0000009200000000, 0.0006202200000000 ] - [ -0.0000015900000000, -0.0000009200000000, 0.0006202200000000 ] - [ 0.0000000000000000, 0.0000011000000000, 0.0009600900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009595400000000 ] - [ 0.0000009500000000, -0.0000005500000000, 0.0009600900000000 ] - [ -0.0000009500000000, -0.0000005500000000, 0.0009600900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002447200000000 ] - [ 0.0000000000000000, 0.0000006700000000, 0.0002484500000000 ] - [ -0.0000005800000000, -0.0000003400000000, 0.0002484500000000 ] - [ 0.0000005800000000, -0.0000003400000000, 0.0002484500000000 ] - [ 0.0000026700000000, 0.0000015400000000, 0.0007050500000000 ] - [ -0.0000026700000000, 0.0000015400000000, 0.0007050500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006992200000000 ] - [ 0.0000000000000000, -0.0000030800000000, 0.0007050500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001728700000000 ] - [ 0.0000000000000000, -0.0000994900000000, 0.0003395800000000 ] - [ 0.0000861600000000, 0.0000497400000000, 0.0003395800000000 ] - [ -0.0000861600000000, 0.0000497400000000, 0.0003395800000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000284200000000 ] - [ 0.0000000000000000, -0.0005232900000000, 0.0000291800000000 ] - [ 0.0004531800000000, 0.0002616400000000, 0.0000291800000000 ] - [ -0.0004531800000000, 0.0002616400000000, 0.0000291800000000 ] - [ 0.0000165500000000, 0.0000095600000000, 0.0007494000000000 ] - [ -0.0000165500000000, 0.0000095600000000, 0.0007494000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007491500000000 ] - [ 0.0000000000000000, -0.0000191100000000, 0.0007494000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004242500000000 ] - [ 0.0000000000000000, 0.0000002200000000, 0.0004217000000000 ] - [ -0.0000001900000000, -0.0000001100000000, 0.0004217000000000 ] - [ 0.0000001900000000, -0.0000001100000000, 0.0004217000000000 ] - [ 0.0000000000000000, -0.0000038600000000, 0.0008684700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008714500000000 ] - [ -0.0000033400000000, 0.0000019300000000, 0.0008684700000000 ] - [ 0.0000033400000000, 0.0000019300000000, 0.0008684700000000 ] - [ 0.0000000000000000, 0.0132701200000000, -0.0095034500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020935600000000 ] - [ 0.0114922600000000, -0.0066350600000000, -0.0095034500000000 ] - [ -0.0114922600000000, -0.0066350600000000, -0.0095034500000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0006109200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006109500000000 ] - [ 0.0000002700000000, -0.0000001500000000, 0.0006109200000000 ] - [ -0.0000002700000000, -0.0000001500000000, 0.0006109200000000 ] - [ -0.0009275300000000, -0.0005355100000000, 0.0001573500000000 ] - [ 0.0009275300000000, -0.0005355100000000, 0.0001573500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007615100000000 ] - [ 0.0000000000000000, 0.0010710200000000, 0.0001573500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0461185500000000 ] - [ 0.0000000000000000, -0.0008023000000000, -0.0028028000000000 ] - [ 0.0006948100000000, 0.0004011500000000, -0.0028028000000000 ] - [ -0.0006948100000000, 0.0004011500000000, -0.0028028000000000 ] - [ 0.0000001300000000, 0.0000000800000000, 0.0007719900000000 ] - [ -0.0000001300000000, 0.0000000800000000, 0.0007719900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007719700000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0007719900000000 ] - [ 0.0000000000000000, 0.0000682300000000, 0.0000929000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000675200000000 ] - [ 0.0000590900000000, -0.0000341200000000, 0.0000929000000000 ] - [ -0.0000590900000000, -0.0000341200000000, 0.0000929000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004193800000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0004194600000000 ] - [ 0.0000001700000000, 0.0000001000000000, 0.0004194600000000 ] - [ -0.0000001700000000, 0.0000001000000000, 0.0004194600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008691600000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0008721400000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0008721400000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0008721400000000 ] - [ -0.0000015100000000, -0.0000008700000000, -0.0003124200000000 ] - [ 0.0000015100000000, -0.0000008700000000, -0.0003124200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003129800000000 ] - [ 0.0000000000000000, 0.0000017400000000, -0.0003124200000000 ] - [ -0.0005658600000000, -0.0003267000000000, 0.0002906500000000 ] - [ 0.0005658600000000, -0.0003267000000000, 0.0002906500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012634700000000 ] - [ 0.0000000000000000, 0.0006534000000000, 0.0002906500000000 ] - [ 0.0000000000000000, 0.0000053300000000, 0.0001440100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001117600000000 ] - [ 0.0000046100000000, -0.0000026600000000, 0.0001440100000000 ] - [ -0.0000046100000000, -0.0000026600000000, 0.0001440100000000 ] - [ 0.0000001400000000, 0.0000000800000000, 0.0004752100000000 ] - [ -0.0000001400000000, 0.0000000800000000, 0.0004752100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004758600000000 ] - [ 0.0000000000000000, -0.0000001600000000, 0.0004752100000000 ] - [ 0.0000000000000000, 0.0000002900000000, 0.0003320600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003321600000000 ] - [ 0.0000002500000000, -0.0000001400000000, 0.0003320600000000 ] - [ -0.0000002500000000, -0.0000001400000000, 0.0003320600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001689600000000 ] - [ 0.0000000000000000, 0.0000801700000000, -0.0000570800000000 ] - [ -0.0000694300000000, -0.0000400900000000, -0.0000570800000000 ] - [ 0.0000694300000000, -0.0000400900000000, -0.0000570800000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0003790400000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0003790400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003785600000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0003790400000000 ] - [ 0.0000000000000000, 0.0000277800000000, -0.0008037800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007033100000000 ] - [ 0.0000240600000000, -0.0000138900000000, -0.0008037800000000 ] - [ -0.0000240600000000, -0.0000138900000000, -0.0008037800000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0000849000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000853800000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0000849000000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0000849000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0996960500000000 ] - [ 0.0000000000000000, -0.0007642200000000, 0.0027841500000000 ] - [ 0.0006618400000000, 0.0003821100000000, 0.0027841500000000 ] - [ -0.0006618400000000, 0.0003821100000000, 0.0027841500000000 ] - [ -0.0000003700000000, -0.0000002100000000, 0.0003731100000000 ] - [ 0.0000003700000000, -0.0000002100000000, 0.0003731100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003736900000000 ] - [ 0.0000000000000000, 0.0000004300000000, 0.0003731100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000939000000000 ] - [ 0.0000000000000000, 0.0002726900000000, -0.0004321600000000 ] - [ -0.0002361500000000, -0.0001363400000000, -0.0004321600000000 ] - [ 0.0002361500000000, -0.0001363400000000, -0.0004321600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005740100000000 ] - [ 0.0000000000000000, -0.0000008700000000, -0.0005718300000000 ] - [ 0.0000007500000000, 0.0000004300000000, -0.0005718300000000 ] - [ -0.0000007500000000, 0.0000004300000000, -0.0005718300000000 ] - [ 0.0001261200000000, 0.0000728100000000, 0.0001602500000000 ] - [ -0.0001261200000000, 0.0000728100000000, 0.0001602500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013133100000000 ] - [ 0.0000000000000000, -0.0001456300000000, 0.0001602500000000 ] - [ 0.0000000000000000, 0.0046433300000000, -0.0043866000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010903100000000 ] - [ 0.0040212400000000, -0.0023216600000000, -0.0043866000000000 ] - [ -0.0040212400000000, -0.0023216600000000, -0.0043866000000000 ] - [ -0.0020701800000000, -0.0011952200000000, -0.0049541800000000 ] - [ 0.0020701800000000, -0.0011952200000000, -0.0049541800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005217900000000 ] - [ 0.0000000000000000, 0.0023904400000000, -0.0049541800000000 ] - [ -0.0000051800000000, -0.0000029900000000, -0.0008808900000000 ] - [ 0.0000051800000000, -0.0000029900000000, -0.0008808900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008763800000000 ] - [ 0.0000000000000000, 0.0000059800000000, -0.0008808900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002626000000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0002633100000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0002633100000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0002633100000000 ] - [ 0.0000000000000000, -0.0000095400000000, 0.0000988100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000489100000000 ] - [ -0.0000082600000000, 0.0000047700000000, 0.0000988100000000 ] - [ 0.0000082600000000, 0.0000047700000000, 0.0000988100000000 ] - [ 0.0000000000000000, 0.0000004500000000, -0.0002064000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002068800000000 ] - [ 0.0000003900000000, -0.0000002200000000, -0.0002064000000000 ] - [ -0.0000003900000000, -0.0000002200000000, -0.0002064000000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0001236900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001233300000000 ] - [ -0.0000001300000000, 0.0000000700000000, 0.0001236900000000 ] - [ 0.0000001300000000, 0.0000000700000000, 0.0001236900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005781400000000 ] - [ 0.0000000000000000, 0.0000014100000000, -0.0005802900000000 ] - [ -0.0000012200000000, -0.0000007000000000, -0.0005802900000000 ] - [ 0.0000012200000000, -0.0000007000000000, -0.0005802900000000 ] - [ -0.0000031700000000, -0.0000018300000000, -0.0001291500000000 ] - [ 0.0000031700000000, -0.0000018300000000, -0.0001291500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001179200000000 ] - [ 0.0000000000000000, 0.0000036600000000, -0.0001291500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003947800000000 ] - [ 0.0000000000000000, 0.0001060700000000, -0.0005647900000000 ] - [ -0.0000918600000000, -0.0000530300000000, -0.0005647900000000 ] - [ 0.0000918600000000, -0.0000530300000000, -0.0005647900000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000144700000000, 0.0000093900000000, -0.0004081700000000 ] - [ -0.0000144500000000, 0.0000099000000000, -0.0004109100000000 ] - [ -0.0000147700000000, 0.0000089900000000, -0.0004098800000000 ] - [ -0.0000140300000000, 0.0000089100000000, -0.0004099700000000 ] - [ -0.0000126800000000, 0.0000093500000000, 0.0003363100000000 ] - [ -0.0000163800000000, 0.0000097900000000, 0.0003349500000000 ] - [ -0.0000122400000000, 0.0000106800000000, 0.0003680300000000 ] - [ -0.0000113500000000, 0.0000052900000000, 0.0003027400000000 ] - [ 0.0002898600000000, 0.0001457800000000, 0.0010942500000000 ] - [ 0.0002912400000000, -0.0001658300000000, -0.0010481100000000 ] - [ -0.0000737400000000, -0.0000093000000000, 0.0000228200000000 ] - [ 0.0000208500000000, -0.0000087300000000, 0.0000236800000000 ] - [ 0.0000119900000000, -0.0000466900000000, 0.0005222200000000 ] - [ 0.0000137800000000, 0.0000295400000000, 0.0003864000000000 ] - [ -0.0000532600000000, -0.0000088000000000, 0.0004541600000000 ] - [ 0.0001313300000000, -0.0000079200000000, 0.0004542900000000 ] - [ -0.0000164800000000, 0.0000090200000000, 0.0004122600000000 ] - [ -0.0000154300000000, 0.0000092200000000, 0.0004123300000000 ] - [ -0.0000159700000000, 0.0000085900000000, 0.0004130800000000 ] - [ -0.0000159200000000, 0.0000093100000000, 0.0004120100000000 ] - [ -0.0000281600000000, 0.0000565900000000, 0.0001123900000000 ] - [ -0.0000283900000000, -0.0000374000000000, 0.0002770400000000 ] - [ 0.0000531100000000, 0.0000102400000000, 0.0001949200000000 ] - [ -0.0000636600000000, 0.0000103400000000, 0.0001947100000000 ] - [ -0.0000156900000000, 0.0000097900000000, -0.0001633500000000 ] - [ -0.0000153400000000, 0.0000092700000000, -0.0001627900000000 ] - [ -0.0000148500000000, 0.0000091700000000, -0.0001628200000000 ] - [ -0.0000159400000000, 0.0000094400000000, -0.0001628300000000 ] - [ -0.0000161700000000, 0.0000091300000000, -0.0001817400000000 ] - [ -0.0000151300000000, 0.0000102200000000, -0.0001824100000000 ] - [ -0.0000170100000000, 0.0000095700000000, -0.0001820600000000 ] - [ -0.0000145200000000, 0.0000102800000000, -0.0001820600000000 ] - [ 0.0029955300000000, 0.0000162500000000, 0.0002617700000000 ] - [ -0.0011744900000000, -0.0000082800000000, 0.0003511600000000 ] - [ 0.0000414900000000, 0.0006908600000000, 0.0004348800000000 ] - [ 0.0000394600000000, -0.0007122300000000, 0.0002836400000000 ] - [ -0.0000147500000000, 0.0000100600000000, -0.0003269700000000 ] - [ -0.0000149400000000, 0.0000070100000000, -0.0003336200000000 ] - [ -0.0000121800000000, 0.0000082700000000, -0.0003298700000000 ] - [ -0.0000172200000000, 0.0000081400000000, -0.0003295300000000 ] - [ 0.0000092100000000, -0.0004116300000000, -0.0002190800000000 ] - [ 0.0000092500000000, 0.0003934100000000, 0.0002355200000000 ] - [ -0.0015270000000000, -0.0000081500000000, 0.0000067100000000 ] - [ 0.0007063600000000, -0.0000081300000000, 0.0000090600000000 ] - [ -0.0000139200000000, 0.0000077300000000, 0.0004600400000000 ] - [ -0.0000144900000000, 0.0000088300000000, 0.0004576700000000 ] - [ -0.0000149300000000, 0.0000085000000000, 0.0004593500000000 ] - [ -0.0000133500000000, 0.0000082100000000, 0.0004586600000000 ] - [ 0.0000154700000000, -0.0000075700000000, -0.0007263200000000 ] - [ 0.0000142700000000, -0.0000085300000000, -0.0007260700000000 ] - [ 0.0000155000000000, -0.0000078100000000, -0.0007265800000000 ] - [ 0.0000141200000000, -0.0000083900000000, -0.0007272900000000 ] - [ 0.0000151200000000, -0.0000091000000000, -0.0005140000000000 ] - [ 0.0000155600000000, -0.0000083400000000, -0.0005145100000000 ] - [ 0.0000148400000000, -0.0000087700000000, -0.0005135900000000 ] - [ 0.0000160200000000, -0.0000087700000000, -0.0005147500000000 ] - [ 0.0000163300000000, -0.0000081200000000, -0.0002685400000000 ] - [ 0.0000146100000000, -0.0000077700000000, -0.0002675100000000 ] - [ 0.0000152700000000, -0.0000089400000000, -0.0002675600000000 ] - [ 0.0000158000000000, -0.0000099500000000, -0.0002681600000000 ] - [ -0.0000334900000000, 0.0000087900000000, 0.0000697600000000 ] - [ -0.0000022500000000, 0.0000082800000000, 0.0000705500000000 ] - [ -0.0000152300000000, 0.0000010300000000, 0.0000766700000000 ] - [ -0.0000161100000000, 0.0000164700000000, 0.0000637000000000 ] - [ 0.0292826900000000, -0.0159050400000000, 0.0123277100000000 ] - [ 0.0305124800000000, 0.0168088800000000, -0.0131449300000000 ] - [ 0.0015721100000000, 0.0000924900000000, -0.0000765400000000 ] - [ -0.0004547400000000, -0.0000031600000000, -0.0000826700000000 ] - [ 0.0000154600000000, -0.0000087900000000, -0.0005061100000000 ] - [ 0.0000155800000000, -0.0000097500000000, -0.0005065700000000 ] - [ 0.0000162700000000, -0.0000091100000000, -0.0005068600000000 ] - [ 0.0000145300000000, -0.0000090300000000, -0.0005059700000000 ] - [ 0.0000098200000000, -0.0000035000000000, 0.0000368100000000 ] - [ 0.0000026200000000, -0.0000030100000000, 0.0000357300000000 ] - [ 0.0000044000000000, -0.0000026600000000, 0.0000365900000000 ] - [ 0.0000052100000000, -0.0000054900000000, 0.0000351700000000 ] - [ -0.0000065300000000, 0.0000023000000000, -0.0003676600000000 ] - [ -0.0000053400000000, 0.0000029900000000, -0.0003682000000000 ] - [ -0.0000061900000000, 0.0000034200000000, -0.0003673800000000 ] - [ -0.0000051200000000, 0.0000042800000000, -0.0003686100000000 ] - [ 0.0021804700000000, -0.0015150600000000, 0.0024024800000000 ] - [ 0.0021883300000000, 0.0015308400000000, -0.0017571400000000 ] - [ -0.0004533600000000, 0.0000070800000000, 0.0003311000000000 ] - [ 0.0000130500000000, 0.0000026000000000, 0.0003308400000000 ] - [ 0.0000065500000000, -0.0000003800000000, -0.0000318500000000 ] - [ 0.0000045900000000, -0.0000041300000000, -0.0000307000000000 ] - [ 0.0000093900000000, -0.0000037400000000, -0.0000311300000000 ] - [ 0.0000019300000000, -0.0000048600000000, -0.0000313700000000 ] - [ -0.0963524700000000, -0.0010498500000000, 0.0015315300000000 ] - [ 0.0166180300000000, -0.0000023200000000, 0.0007858300000000 ] - [ 0.0044030400000000, -0.0070451300000000, 0.0014508900000000 ] - [ 0.0044097700000000, 0.0070554100000000, 0.0001189200000000 ] - [ -0.0000058900000000, 0.0000029400000000, 0.0001292100000000 ] - [ -0.0000055600000000, 0.0000029900000000, 0.0001291900000000 ] - [ -0.0000058600000000, 0.0000024300000000, 0.0001296200000000 ] - [ -0.0000058400000000, 0.0000024100000000, 0.0001281900000000 ] - [ 0.0000035400000000, 0.0000422100000000, -0.0001235900000000 ] - [ 0.0000022700000000, -0.0000489500000000, -0.0001832900000000 ] - [ 0.0003759600000000, -0.0000027800000000, -0.0001541600000000 ] - [ -0.0000760100000000, -0.0000037300000000, -0.0001536200000000 ] - [ 0.0000052900000000, -0.0000044000000000, 0.0002200800000000 ] - [ 0.0000058700000000, -0.0000021500000000, 0.0002178500000000 ] - [ 0.0000037500000000, -0.0000036900000000, 0.0002188300000000 ] - [ 0.0000072500000000, -0.0000033000000000, 0.0002190700000000 ] - [ 0.0000068500000000, -0.0000031900000000, -0.0002008100000000 ] - [ 0.0000047000000000, -0.0000035300000000, -0.0002034700000000 ] - [ 0.0000063300000000, -0.0000034900000000, -0.0002030200000000 ] - [ 0.0000056000000000, -0.0000046500000000, -0.0002026100000000 ] - [ 0.0000046500000000, -0.0000026600000000, -0.0007994300000000 ] - [ 0.0000062900000000, -0.0000034200000000, -0.0007990300000000 ] - [ 0.0000059800000000, -0.0000045200000000, -0.0007995600000000 ] - [ 0.0000050000000000, -0.0000029600000000, -0.0007985700000000 ] - [ -0.0000055300000000, 0.0000017000000000, -0.0004748100000000 ] - [ -0.0000068200000000, 0.0000040100000000, -0.0004752400000000 ] - [ -0.0000081500000000, 0.0000043700000000, -0.0004745100000000 ] - [ -0.0000042300000000, 0.0000037500000000, -0.0004747200000000 ] - [ 0.0021945200000000, 0.0015314200000000, -0.0038538400000000 ] - [ 0.0021911100000000, -0.0015346900000000, 0.0041615000000000 ] - [ 0.0000139800000000, 0.0000044200000000, 0.0001493500000000 ] - [ -0.0004625200000000, 0.0000031800000000, 0.0001435800000000 ] - [ 0.0000054300000000, 0.0000002300000000, 0.0004998900000000 ] - [ 0.0000047100000000, -0.0000087300000000, 0.0005116200000000 ] - [ 0.0000126500000000, -0.0000033200000000, 0.0005052900000000 ] - [ -0.0000002000000000, -0.0000037200000000, 0.0005055500000000 ] - [ 0.0000162200000000, -0.0000163200000000, 0.0001696000000000 ] - [ 0.0000162700000000, 0.0000099900000000, 0.0002216600000000 ] - [ -0.0000065100000000, -0.0000033900000000, 0.0001958100000000 ] - [ 0.0000156800000000, -0.0000035700000000, 0.0001963700000000 ] - [ -0.0000059800000000, -0.0000484800000000, 0.0003970400000000 ] - [ -0.0000089100000000, 0.0000560900000000, 0.0006527500000000 ] - [ -0.0000981800000000, 0.0000033300000000, 0.0005255400000000 ] - [ 0.0004153400000000, 0.0000015100000000, 0.0005256900000000 ] - [ -0.0000060700000000, 0.0000033200000000, -0.0001630600000000 ] - [ -0.0000056800000000, 0.0000025600000000, -0.0001653300000000 ] - [ -0.0000056700000000, 0.0000030600000000, -0.0001639100000000 ] - [ -0.0000063500000000, 0.0000035600000000, -0.0001630900000000 ] - [ -0.0000099800000000, 0.0000033800000000, 0.0002920500000000 ] - [ -0.0000039000000000, 0.0000029200000000, 0.0002927000000000 ] - [ 0.0000090300000000, 0.0000110900000000, 0.0002020200000000 ] - [ 0.0000085700000000, -0.0000039500000000, 0.0003827700000000 ] - [ 0.0000048900000000, -0.0000025800000000, -0.0001086700000000 ] - [ 0.0000066100000000, -0.0000050400000000, -0.0001021700000000 ] - [ 0.0000076000000000, -0.0000031600000000, -0.0001032300000000 ] - [ 0.0000034000000000, -0.0000022800000000, -0.0001056800000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000002000000000, -0.0000001200000000, -0.0008214200000000 ] - [ 0.0000002000000000, -0.0000001200000000, -0.0008214200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008198000000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0008214200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000129300000000 ] - [ 0.0000000000000000, 0.0000174000000000, -0.0000964900000000 ] - [ -0.0000150700000000, -0.0000087000000000, -0.0000964900000000 ] - [ 0.0000150700000000, -0.0000087000000000, -0.0000964900000000 ] - [ -0.0007173600000000, -0.0004141700000000, -0.0007199100000000 ] - [ 0.0007173600000000, -0.0004141700000000, -0.0007199100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006170300000000 ] - [ 0.0000000000000000, 0.0008283400000000, -0.0007199100000000 ] - [ -0.0000564100000000, 0.0000325700000000, 0.0001665200000000 ] - [ 0.0000564100000000, 0.0000325700000000, 0.0001665200000000 ] - [ 0.0000000000000000, -0.0000651300000000, 0.0001665200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003708700000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0000028300000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0000028300000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0000028300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000029600000000 ] - [ 0.0004716000000000, -0.0002722800000000, -0.0002880100000000 ] - [ -0.0004716000000000, -0.0002722800000000, -0.0002880100000000 ] - [ 0.0000000000000000, 0.0005445600000000, -0.0002880100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000715700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005742800000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0005734500000000 ] - [ 0.0000001700000000, 0.0000001000000000, -0.0005734500000000 ] - [ -0.0000001700000000, 0.0000001000000000, -0.0005734500000000 ] - [ -0.0000007500000000, -0.0000004400000000, -0.0005991600000000 ] - [ 0.0000007500000000, -0.0000004400000000, -0.0005991600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005990000000000 ] - [ 0.0000000000000000, 0.0000008700000000, -0.0005991600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0486989200000000 ] - [ 0.0000000000000000, -0.0008122100000000, 0.0029989000000000 ] - [ 0.0007034000000000, 0.0004061100000000, 0.0029989000000000 ] - [ -0.0007034000000000, 0.0004061100000000, 0.0029989000000000 ] - [ 0.0000032700000000, -0.0000018900000000, -0.0007406800000000 ] - [ -0.0000032700000000, -0.0000018900000000, -0.0007406800000000 ] - [ 0.0000000000000000, 0.0000037700000000, -0.0007406800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007399700000000 ] - [ -0.0009182000000000, -0.0005301200000000, -0.0003168500000000 ] - [ 0.0009182000000000, -0.0005301200000000, -0.0003168500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005728400000000 ] - [ 0.0000000000000000, 0.0010602400000000, -0.0003168500000000 ] - [ -0.0000148500000000, -0.0000085700000000, 0.0000481500000000 ] - [ 0.0000148500000000, -0.0000085700000000, 0.0000481500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000500400000000 ] - [ 0.0000000000000000, 0.0000171400000000, 0.0000481500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011446700000000 ] - [ 0.0000000000000000, 0.0000022700000000, -0.0011426200000000 ] - [ -0.0000019700000000, -0.0000011400000000, -0.0011426200000000 ] - [ 0.0000019700000000, -0.0000011400000000, -0.0011426200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009256400000000 ] - [ 0.0000000000000000, 0.0000003300000000, -0.0009248400000000 ] - [ -0.0000002900000000, -0.0000001700000000, -0.0009248400000000 ] - [ 0.0000002900000000, -0.0000001700000000, -0.0009248400000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0006825900000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0006825900000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0006825900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006825200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003200700000000 ] - [ 0.0000000000000000, -0.0000454400000000, -0.0003525700000000 ] - [ 0.0000393500000000, 0.0000227200000000, -0.0003525700000000 ] - [ -0.0000393500000000, 0.0000227200000000, -0.0003525700000000 ] - [ 0.0113191900000000, -0.0065351400000000, 0.0099379400000000 ] - [ -0.0113191900000000, -0.0065351400000000, 0.0099379400000000 ] - [ 0.0000000000000000, 0.0130702800000000, 0.0099379400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024155300000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0009166400000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0009166400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009168900000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0009166400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004933000000000 ] - [ 0.0000000000000000, 0.0000078600000000, 0.0004414800000000 ] - [ -0.0000068100000000, -0.0000039300000000, 0.0004414800000000 ] - [ 0.0000068100000000, -0.0000039300000000, 0.0004414800000000 ] - [ 0.0000028100000000, -0.0000016200000000, 0.0000567500000000 ] - [ -0.0000028100000000, -0.0000016200000000, 0.0000567500000000 ] - [ 0.0000000000000000, 0.0000032400000000, 0.0000567500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000576900000000 ] - [ 0.0039679900000000, -0.0022909200000000, 0.0044757900000000 ] - [ -0.0039679900000000, -0.0022909200000000, 0.0044757900000000 ] - [ 0.0000000000000000, 0.0045818400000000, 0.0044757900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009598400000000 ] - [ 0.0000066000000000, 0.0000038100000000, 0.0003703200000000 ] - [ -0.0000066000000000, 0.0000038100000000, 0.0003703200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003703000000000 ] - [ 0.0000000000000000, -0.0000076200000000, 0.0003703200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1016631100000000 ] - [ 0.0000000000000000, -0.0007685600000000, -0.0020360400000000 ] - [ 0.0006655900000000, 0.0003842800000000, -0.0020360400000000 ] - [ -0.0006655900000000, 0.0003842800000000, -0.0020360400000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0005511800000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0005511800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005490500000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0005511800000000 ] - [ 0.0000654000000000, 0.0000377600000000, -0.0000948900000000 ] - [ -0.0000654000000000, 0.0000377600000000, -0.0000948900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014156400000000 ] - [ 0.0000000000000000, -0.0000755200000000, -0.0000948900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006381600000000 ] - [ 0.0000000000000000, -0.0000001600000000, 0.0006375900000000 ] - [ 0.0000001400000000, 0.0000000800000000, 0.0006375900000000 ] - [ -0.0000001400000000, 0.0000000800000000, 0.0006375900000000 ] - [ 0.0000023100000000, -0.0000013300000000, 0.0002075900000000 ] - [ -0.0000023100000000, -0.0000013300000000, 0.0002075900000000 ] - [ 0.0000000000000000, 0.0000026700000000, 0.0002075900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002018400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003810400000000 ] - [ 0.0000000000000000, 0.0000021000000000, -0.0003781400000000 ] - [ -0.0000018200000000, -0.0000010500000000, -0.0003781400000000 ] - [ 0.0000018200000000, -0.0000010500000000, -0.0003781400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000853400000000 ] - [ 0.0000000000000000, -0.0000022000000000, -0.0000853800000000 ] - [ 0.0000019100000000, 0.0000011000000000, -0.0000853800000000 ] - [ -0.0000019100000000, 0.0000011000000000, -0.0000853800000000 ] - [ -0.0020938400000000, -0.0012088800000000, 0.0043399800000000 ] - [ 0.0020938400000000, -0.0012088800000000, 0.0043399800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011453500000000 ] - [ 0.0000000000000000, 0.0024177600000000, 0.0043399800000000 ] - [ 0.0000123900000000, -0.0000071500000000, 0.0009251900000000 ] - [ -0.0000123900000000, -0.0000071500000000, 0.0009251900000000 ] - [ 0.0000000000000000, 0.0000143100000000, 0.0009251900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009157600000000 ] - [ -0.0000946400000000, 0.0000546400000000, 0.0006273800000000 ] - [ 0.0000946400000000, 0.0000546400000000, 0.0006273800000000 ] - [ 0.0000000000000000, -0.0001092800000000, 0.0006273800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005289100000000 ] - [ -0.0000223200000000, 0.0000128800000000, 0.0005704300000000 ] - [ 0.0000223200000000, 0.0000128800000000, 0.0005704300000000 ] - [ 0.0000000000000000, -0.0000257700000000, 0.0005704300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020425600000000 ] - [ 0.0000017700000000, 0.0000010200000000, 0.0002593100000000 ] - [ -0.0000017700000000, 0.0000010200000000, 0.0002593100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002554800000000 ] - [ 0.0000000000000000, -0.0000020400000000, 0.0002593100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005815100000000 ] - [ 0.0000000000000000, 0.0000531100000000, 0.0007523400000000 ] - [ -0.0000460000000000, -0.0000265600000000, 0.0007523400000000 ] - [ 0.0000460000000000, -0.0000265600000000, 0.0007523400000000 ] - [ -0.0000009300000000, -0.0000005400000000, 0.0003085000000000 ] - [ 0.0000009300000000, -0.0000005400000000, 0.0003085000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003027700000000 ] - [ 0.0000000000000000, 0.0000010800000000, 0.0003085000000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000009600000000, 0.0000005500000000, -0.0000010300000000 ] - [ -0.0000009600000000, 0.0000005500000000, -0.0000010300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000035700000000 ] - [ 0.0000000000000000, -0.0000011100000000, -0.0000010300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006925900000000 ] - [ 0.0000000000000000, -0.0000162700000000, 0.0007726100000000 ] - [ 0.0000140900000000, 0.0000081400000000, 0.0007726100000000 ] - [ -0.0000140900000000, 0.0000081400000000, 0.0007726100000000 ] - [ 0.0007100400000000, 0.0004099400000000, 0.0007642800000000 ] - [ -0.0007100400000000, 0.0004099400000000, 0.0007642800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005695300000000 ] - [ 0.0000000000000000, -0.0008198800000000, 0.0007642800000000 ] - [ 0.0000541500000000, -0.0000312600000000, 0.0007404500000000 ] - [ -0.0000541500000000, -0.0000312600000000, 0.0007404500000000 ] - [ 0.0000000000000000, 0.0000625300000000, 0.0007404500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012752200000000 ] - [ -0.0000017700000000, 0.0000010200000000, 0.0008251100000000 ] - [ 0.0000017700000000, 0.0000010200000000, 0.0008251100000000 ] - [ 0.0000000000000000, -0.0000020400000000, 0.0008251100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008248900000000 ] - [ -0.0004757800000000, 0.0002746900000000, 0.0006743800000000 ] - [ 0.0004757800000000, 0.0002746900000000, 0.0006743800000000 ] - [ 0.0000000000000000, -0.0005493800000000, 0.0006743800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004564900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002525600000000 ] - [ 0.0000000000000000, 0.0000001800000000, 0.0002536800000000 ] - [ -0.0000001600000000, -0.0000000900000000, 0.0002536800000000 ] - [ 0.0000001600000000, -0.0000000900000000, 0.0002536800000000 ] - [ -0.0000014800000000, -0.0000008500000000, 0.0002306900000000 ] - [ 0.0000014800000000, -0.0000008500000000, 0.0002306900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002301300000000 ] - [ 0.0000000000000000, 0.0000017100000000, 0.0002306900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0454240500000000 ] - [ 0.0000000000000000, 0.0008124700000000, -0.0022769200000000 ] - [ -0.0007036200000000, -0.0004062300000000, -0.0022769200000000 ] - [ 0.0007036200000000, -0.0004062300000000, -0.0022769200000000 ] - [ -0.0000037300000000, 0.0000021500000000, 0.0000829100000000 ] - [ 0.0000037300000000, 0.0000021500000000, 0.0000829100000000 ] - [ 0.0000000000000000, -0.0000043000000000, 0.0000829100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000822500000000 ] - [ 0.0009210000000000, 0.0005317400000000, 0.0003318800000000 ] - [ -0.0009210000000000, 0.0005317400000000, 0.0003318800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005659100000000 ] - [ 0.0000000000000000, -0.0010634800000000, 0.0003318800000000 ] - [ 0.0000153500000000, 0.0000088600000000, 0.0008777400000000 ] - [ -0.0000153500000000, 0.0000088600000000, 0.0008777400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008753200000000 ] - [ 0.0000000000000000, -0.0000177200000000, 0.0008777400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003111300000000 ] - [ 0.0000000000000000, -0.0000022600000000, -0.0003145300000000 ] - [ 0.0000019600000000, 0.0000011300000000, -0.0003145300000000 ] - [ -0.0000019600000000, 0.0000011300000000, -0.0003145300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000988000000000 ] - [ 0.0000000000000000, -0.0000002700000000, -0.0001008500000000 ] - [ 0.0000002400000000, 0.0000001400000000, -0.0001008500000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0001008500000000 ] - [ -0.0000010400000000, 0.0000006000000000, 0.0001489000000000 ] - [ 0.0000010400000000, 0.0000006000000000, 0.0001489000000000 ] - [ 0.0000000000000000, -0.0000012000000000, 0.0001489000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001485800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004569200000000 ] - [ 0.0000000000000000, 0.0000453600000000, 0.0004926200000000 ] - [ -0.0000392900000000, -0.0000226800000000, 0.0004926200000000 ] - [ 0.0000392900000000, -0.0000226800000000, 0.0004926200000000 ] - [ -0.0114710800000000, 0.0066228300000000, -0.0099832100000000 ] - [ 0.0114710800000000, 0.0066228300000000, -0.0099832100000000 ] - [ 0.0000000000000000, -0.0132456600000000, -0.0099832100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026009000000000 ] - [ -0.0000010700000000, -0.0000006200000000, -0.0000968600000000 ] - [ 0.0000010700000000, -0.0000006200000000, -0.0000968600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000970500000000 ] - [ 0.0000000000000000, 0.0000012400000000, -0.0000968600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004194900000000 ] - [ 0.0000000000000000, -0.0000082500000000, -0.0003683700000000 ] - [ 0.0000071500000000, 0.0000041300000000, -0.0003683700000000 ] - [ -0.0000071500000000, 0.0000041300000000, -0.0003683700000000 ] - [ -0.0000003500000000, 0.0000002000000000, -0.0007759200000000 ] - [ 0.0000003500000000, 0.0000002000000000, -0.0007759200000000 ] - [ 0.0000000000000000, -0.0000004100000000, -0.0007759200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007734400000000 ] - [ -0.0040080700000000, 0.0023140600000000, -0.0038622500000000 ] - [ 0.0040080700000000, 0.0023140600000000, -0.0038622500000000 ] - [ 0.0000000000000000, -0.0046281200000000, -0.0038622500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016414200000000 ] - [ -0.0000021600000000, -0.0000012500000000, -0.0004339200000000 ] - [ 0.0000021600000000, -0.0000012500000000, -0.0004339200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004280900000000 ] - [ 0.0000000000000000, 0.0000024900000000, -0.0004339200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1002964600000000 ] - [ 0.0000000000000000, 0.0007651600000000, 0.0036251000000000 ] - [ -0.0006626500000000, -0.0003825800000000, 0.0036251000000000 ] - [ 0.0006626500000000, -0.0003825800000000, 0.0036251000000000 ] - [ -0.0000037500000000, -0.0000021600000000, -0.0002854700000000 ] - [ 0.0000037500000000, -0.0000021600000000, -0.0002854700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002855000000000 ] - [ 0.0000000000000000, 0.0000043300000000, -0.0002854700000000 ] - [ -0.0000670600000000, -0.0000387200000000, -0.0002252200000000 ] - [ 0.0000670600000000, -0.0000387200000000, -0.0002252200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017430700000000 ] - [ 0.0000000000000000, 0.0000774400000000, -0.0002252200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001899100000000 ] - [ 0.0000000000000000, 0.0000004700000000, -0.0001901600000000 ] - [ -0.0000004100000000, -0.0000002400000000, -0.0001901600000000 ] - [ 0.0000004100000000, -0.0000002400000000, -0.0001901600000000 ] - [ 0.0000013800000000, -0.0000007900000000, -0.0006218400000000 ] - [ -0.0000013800000000, -0.0000007900000000, -0.0006218400000000 ] - [ 0.0000000000000000, 0.0000015900000000, -0.0006218400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006168000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012301000000000 ] - [ 0.0000000000000000, 0.0000040200000000, -0.0012233300000000 ] - [ -0.0000034800000000, -0.0000020100000000, -0.0012233300000000 ] - [ 0.0000034800000000, -0.0000020100000000, -0.0012233300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008798800000000 ] - [ 0.0000000000000000, -0.0000002500000000, -0.0008905700000000 ] - [ 0.0000002200000000, 0.0000001300000000, -0.0008905700000000 ] - [ -0.0000002200000000, 0.0000001300000000, -0.0008905700000000 ] - [ 0.0020502900000000, 0.0011837400000000, -0.0039780300000000 ] - [ -0.0020502900000000, 0.0011837400000000, -0.0039780300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014330400000000 ] - [ 0.0000000000000000, -0.0023674700000000, -0.0039780300000000 ] - [ -0.0000144800000000, 0.0000083600000000, 0.0000857300000000 ] - [ 0.0000144800000000, 0.0000083600000000, 0.0000857300000000 ] - [ 0.0000000000000000, -0.0000167200000000, 0.0000857300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000914100000000 ] - [ 0.0000957100000000, -0.0000552600000000, -0.0002230900000000 ] - [ -0.0000957100000000, -0.0000552600000000, -0.0002230900000000 ] - [ 0.0000000000000000, 0.0001105100000000, -0.0002230900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001182200000000 ] - [ 0.0000265800000000, -0.0000153500000000, 0.0004651500000000 ] - [ -0.0000265800000000, -0.0000153500000000, 0.0004651500000000 ] - [ 0.0000000000000000, 0.0000307000000000, 0.0004651500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010032300000000 ] - [ 0.0000048100000000, 0.0000027800000000, -0.0005926700000000 ] - [ -0.0000048100000000, 0.0000027800000000, -0.0005926700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005861500000000 ] - [ 0.0000000000000000, -0.0000055600000000, -0.0005926700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000149300000000 ] - [ 0.0000000000000000, -0.0000488500000000, -0.0001771800000000 ] - [ 0.0000423000000000, 0.0000244200000000, -0.0001771800000000 ] - [ -0.0000423000000000, 0.0000244200000000, -0.0001771800000000 ] - [ 0.0000007900000000, 0.0000004600000000, -0.0005135900000000 ] - [ -0.0000007900000000, 0.0000004600000000, -0.0005135900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005061100000000 ] - [ 0.0000000000000000, -0.0000009200000000, -0.0005135900000000 ]- atom: 93 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000210100000000, 0.0000092600000000, -0.0004052900000000 ] - [ -0.0000076100000000, 0.0000099000000000, -0.0004052500000000 ] - [ -0.0000151200000000, 0.0000050200000000, -0.0004065400000000 ] - [ -0.0000140400000000, 0.0000130200000000, -0.0004048600000000 ] - [ -0.0000149300000000, 0.0000089200000000, 0.0003346900000000 ] - [ -0.0000144400000000, 0.0000099400000000, 0.0003335400000000 ] - [ -0.0000154000000000, 0.0000079500000000, 0.0003335400000000 ] - [ -0.0000137900000000, 0.0000082100000000, 0.0003342400000000 ] - [ 0.0000143300000000, -0.0000086300000000, 0.0000198600000000 ] - [ 0.0000158600000000, -0.0000088000000000, 0.0000193400000000 ] - [ 0.0000154300000000, -0.0000096600000000, 0.0000196300000000 ] - [ 0.0000151700000000, -0.0000089800000000, 0.0000192600000000 ] - [ 0.0000147100000000, -0.0000082400000000, 0.0004508300000000 ] - [ 0.0000158400000000, -0.0000085800000000, 0.0004506800000000 ] - [ 0.0000155400000000, -0.0000087300000000, 0.0004511100000000 ] - [ 0.0000150900000000, -0.0000081000000000, 0.0004511600000000 ] - [ 0.0001419900000000, 0.0000092400000000, 0.0004072200000000 ] - [ -0.0001705400000000, 0.0000096400000000, 0.0004078300000000 ] - [ -0.0000369000000000, 0.0001116900000000, 0.0004187100000000 ] - [ -0.0000363700000000, -0.0000945100000000, 0.0003965300000000 ] - [ -0.0000156100000000, 0.0000091600000000, 0.0001956700000000 ] - [ -0.0000142500000000, 0.0000101000000000, 0.0001948400000000 ] - [ -0.0000158200000000, 0.0000098400000000, 0.0001941600000000 ] - [ -0.0000142700000000, 0.0000105400000000, 0.0001962700000000 ] - [ -0.0000151900000000, 0.0000308600000000, -0.0001603500000000 ] - [ -0.0000141600000000, -0.0000117000000000, -0.0001642900000000 ] - [ 0.0000176200000000, 0.0000089600000000, -0.0001617900000000 ] - [ -0.0000515500000000, 0.0000095800000000, -0.0001624200000000 ] - [ 0.0006318800000000, 0.0000084000000000, -0.0001796700000000 ] - [ -0.0008843100000000, 0.0000091500000000, -0.0001836900000000 ] - [ 0.0001808600000000, 0.0006255100000000, -0.0001120400000000 ] - [ 0.0001811200000000, -0.0006045900000000, -0.0002571700000000 ] - [ 0.0000165200000000, -0.0000079700000000, 0.0003601800000000 ] - [ 0.0000155400000000, -0.0000087000000000, 0.0003609100000000 ] - [ 0.0000165300000000, -0.0000088500000000, 0.0003606700000000 ] - [ 0.0000153700000000, -0.0000094400000000, 0.0003603200000000 ] - [ -0.0000167600000000, 0.0000081500000000, -0.0003276500000000 ] - [ -0.0000128200000000, 0.0000088600000000, -0.0003276100000000 ] - [ -0.0000154000000000, 0.0000070200000000, -0.0003274200000000 ] - [ -0.0000142000000000, 0.0000093100000000, -0.0003269300000000 ] - [ 0.0000153900000000, -0.0000084300000000, 0.0000041800000000 ] - [ 0.0000151500000000, -0.0000081300000000, 0.0000050800000000 ] - [ 0.0000150800000000, -0.0000087200000000, 0.0000049700000000 ] - [ 0.0000155300000000, -0.0000089300000000, 0.0000054900000000 ] - [ -0.0000121200000000, 0.0000078300000000, 0.0004575700000000 ] - [ -0.0000158700000000, 0.0000085800000000, 0.0004569200000000 ] - [ -0.0000119800000000, 0.0000110700000000, 0.0004903100000000 ] - [ -0.0000105900000000, 0.0000057800000000, 0.0004242800000000 ] - [ 0.0000125500000000, 0.0000304500000000, -0.0007953000000000 ] - [ 0.0000123000000000, -0.0000463100000000, -0.0006603100000000 ] - [ 0.0001305700000000, -0.0000081100000000, -0.0007281000000000 ] - [ -0.0000539900000000, -0.0000082200000000, -0.0007289400000000 ] - [ 0.0302198900000000, 0.0166095600000000, -0.0134784300000000 ] - [ 0.0289999200000000, -0.0157144400000000, 0.0118000900000000 ] - [ -0.0004275400000000, -0.0000022600000000, -0.0005138600000000 ] - [ 0.0016221000000000, 0.0000923400000000, -0.0005088500000000 ] - [ 0.0000236900000000, -0.0000085200000000, -0.0002682700000000 ] - [ -0.0000737100000000, -0.0000076000000000, -0.0002678800000000 ] - [ 0.0002889200000000, -0.0001636400000000, -0.0013311300000000 ] - [ 0.0002899700000000, 0.0001432300000000, 0.0007942800000000 ] - [ -0.0000151700000000, 0.0000067500000000, 0.0000661300000000 ] - [ -0.0000156400000000, 0.0000098000000000, 0.0000732000000000 ] - [ -0.0000177900000000, 0.0000090500000000, 0.0000699400000000 ] - [ -0.0000127800000000, 0.0000087700000000, 0.0000694800000000 ] - [ 0.0000170500000000, -0.0000087100000000, -0.0000825100000000 ] - [ 0.0000154900000000, -0.0000087800000000, -0.0000826200000000 ] - [ 0.0000163000000000, -0.0000090400000000, -0.0000822800000000 ] - [ 0.0000161400000000, -0.0000099900000000, -0.0000822000000000 ] - [ 0.0029353900000000, 0.0000157200000000, -0.0005998000000000 ] - [ -0.0011682100000000, -0.0000096500000000, -0.0005112300000000 ] - [ 0.0000411600000000, 0.0006867300000000, -0.0004284900000000 ] - [ 0.0000377800000000, -0.0007079600000000, -0.0005764400000000 ] - [ 0.0000032400000000, -0.0000075300000000, 0.0000437700000000 ] - [ 0.0000064300000000, 0.0000019000000000, 0.0000297100000000 ] - [ -0.0000010400000000, -0.0000053800000000, 0.0000364700000000 ] - [ 0.0000128700000000, -0.0000036300000000, 0.0000359100000000 ] - [ -0.0004540000000000, 0.0000034700000000, -0.0003742100000000 ] - [ 0.0000137500000000, 0.0000026700000000, -0.0003697000000000 ] - [ 0.0021840700000000, -0.0015234900000000, 0.0036233200000000 ] - [ 0.0021840600000000, 0.0015226400000000, -0.0043526000000000 ] - [ -0.0000067400000000, 0.0000033800000000, 0.0003296600000000 ] - [ -0.0000048700000000, 0.0000027600000000, 0.0003292600000000 ] - [ -0.0000052300000000, 0.0000020200000000, 0.0003289200000000 ] - [ -0.0000064000000000, 0.0000029100000000, 0.0003304000000000 ] - [ -0.0000342300000000, -0.0000029200000000, -0.0000205000000000 ] - [ 0.0002235800000000, -0.0000031200000000, -0.0000216400000000 ] - [ -0.0000349600000000, -0.0001527300000000, 0.0002159600000000 ] - [ -0.0000351900000000, 0.0001460800000000, -0.0002586600000000 ] - [ -0.0000068800000000, 0.0000023200000000, 0.0007792900000000 ] - [ -0.0000055600000000, 0.0000025000000000, 0.0007788900000000 ] - [ -0.0000063700000000, 0.0000042900000000, 0.0007783000000000 ] - [ -0.0000062500000000, 0.0000049000000000, 0.0007787900000000 ] - [ -0.0953359200000000, -0.0010414200000000, 0.0008646800000000 ] - [ 0.0166250900000000, -0.0000019700000000, 0.0001269200000000 ] - [ 0.0043876400000000, -0.0070585700000000, 0.0007931900000000 ] - [ 0.0043969600000000, 0.0070664200000000, -0.0005448600000000 ] - [ 0.0000059000000000, -0.0000034900000000, -0.0001523100000000 ] - [ 0.0000050900000000, -0.0000041100000000, -0.0001529200000000 ] - [ 0.0000060300000000, -0.0000028600000000, -0.0001518300000000 ] - [ 0.0000050000000000, -0.0000031200000000, -0.0001527800000000 ] - [ 0.0000053900000000, -0.0000080900000000, 0.0002253000000000 ] - [ 0.0000049400000000, 0.0000010700000000, 0.0002032100000000 ] - [ -0.0000000500000000, -0.0000032500000000, 0.0002131000000000 ] - [ 0.0000128900000000, -0.0000034800000000, 0.0002149800000000 ] - [ -0.0000235100000000, -0.0000037500000000, -0.0001995000000000 ] - [ 0.0000276000000000, -0.0000038000000000, -0.0001986500000000 ] - [ 0.0000143800000000, -0.0000255000000000, -0.0001442400000000 ] - [ 0.0000142000000000, 0.0000180700000000, -0.0002533800000000 ] - [ 0.0017266700000000, 0.0014563600000000, -0.0028597700000000 ] - [ 0.0017207700000000, -0.0014509300000000, 0.0012530400000000 ] - [ 0.0000743800000000, -0.0000048600000000, -0.0007970900000000 ] - [ -0.0007939900000000, 0.0000004200000000, -0.0007936200000000 ] - [ -0.0000071200000000, 0.0000541500000000, -0.0003450600000000 ] - [ -0.0000086700000000, -0.0000469500000000, -0.0005986300000000 ] - [ 0.0004098500000000, 0.0000035700000000, -0.0004698200000000 ] - [ -0.0000954400000000, 0.0000030400000000, -0.0004708500000000 ] - [ -0.0000054900000000, 0.0000035000000000, 0.0001491500000000 ] - [ -0.0000062500000000, 0.0000032400000000, 0.0001496900000000 ] - [ -0.0000056600000000, 0.0000032200000000, 0.0001499900000000 ] - [ -0.0000060800000000, 0.0000026000000000, 0.0001505000000000 ] - [ 0.0000065800000000, -0.0000046400000000, 0.0005037300000000 ] - [ 0.0000043300000000, -0.0000045700000000, 0.0005032100000000 ] - [ 0.0000052800000000, -0.0000025300000000, 0.0005023900000000 ] - [ 0.0000054200000000, -0.0000038100000000, 0.0005034000000000 ] - [ 0.0000058300000000, -0.0000023600000000, 0.0001963500000000 ] - [ 0.0000062800000000, -0.0000038600000000, 0.0001978500000000 ] - [ 0.0000075600000000, -0.0000037300000000, 0.0002005700000000 ] - [ 0.0000049200000000, -0.0000034300000000, 0.0001949600000000 ] - [ -0.0000050500000000, 0.0000034000000000, 0.0005330500000000 ] - [ -0.0000063700000000, 0.0000036900000000, 0.0005339500000000 ] - [ -0.0000061300000000, 0.0000032000000000, 0.0005337000000000 ] - [ -0.0000055000000000, 0.0000024800000000, 0.0005350300000000 ] - [ -0.0000106500000000, 0.0000037900000000, -0.0001615100000000 ] - [ -0.0000025500000000, 0.0000021500000000, -0.0001638600000000 ] - [ 0.0000101500000000, 0.0000097300000000, -0.0002521800000000 ] - [ 0.0000076200000000, -0.0000033000000000, -0.0000716800000000 ] - [ -0.0000057100000000, 0.0000027500000000, 0.0002939200000000 ] - [ -0.0000068400000000, 0.0000019200000000, 0.0002944000000000 ] - [ -0.0000056300000000, 0.0000048800000000, 0.0002934100000000 ] - [ -0.0000068600000000, 0.0000038500000000, 0.0002934900000000 ] - [ 0.0000061800000000, -0.0000032300000000, -0.0001122500000000 ] - [ 0.0000049200000000, -0.0000043500000000, -0.0001123600000000 ] - [ 0.0000067700000000, -0.0000022500000000, -0.0001134600000000 ] - [ 0.0000046700000000, -0.0000033400000000, -0.0001093600000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008306400000000 ] - [ 0.0000000000000000, 0.0000009600000000, -0.0008294100000000 ] - [ -0.0000008300000000, -0.0000004800000000, -0.0008294100000000 ] - [ 0.0000008300000000, -0.0000004800000000, -0.0008294100000000 ] - [ 0.0000023500000000, 0.0000013500000000, -0.0000863400000000 ] - [ -0.0000023500000000, 0.0000013500000000, -0.0000863400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000912700000000 ] - [ 0.0000000000000000, -0.0000027100000000, -0.0000863400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003745500000000 ] - [ 0.0000000000000000, -0.0000007800000000, -0.0003738000000000 ] - [ 0.0000006700000000, 0.0000003900000000, -0.0003738000000000 ] - [ -0.0000006700000000, 0.0000003900000000, -0.0003738000000000 ] - [ 0.0000000000000000, 0.0000024700000000, 0.0000279800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000254000000000 ] - [ 0.0000021400000000, -0.0000012300000000, 0.0000279800000000 ] - [ -0.0000021400000000, -0.0000012300000000, 0.0000279800000000 ] - [ 0.0000000000000000, -0.0001633800000000, 0.0000636500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001617100000000 ] - [ -0.0001414900000000, 0.0000816900000000, 0.0000636500000000 ] - [ 0.0001414900000000, 0.0000816900000000, 0.0000636500000000 ] - [ 0.0000000000000000, 0.0000023100000000, -0.0002391800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002369200000000 ] - [ 0.0000020000000000, -0.0000011500000000, -0.0002391800000000 ] - [ -0.0000020000000000, -0.0000011500000000, -0.0002391800000000 ] - [ 0.0000222300000000, 0.0000128300000000, -0.0005727600000000 ] - [ -0.0000222300000000, 0.0000128300000000, -0.0005727600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005935300000000 ] - [ 0.0000000000000000, -0.0000256700000000, -0.0005727600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011657800000000 ] - [ 0.0000000000000000, -0.0018410500000000, 0.0001701100000000 ] - [ 0.0015943900000000, 0.0009205200000000, 0.0001701100000000 ] - [ -0.0015943900000000, 0.0009205200000000, 0.0001701100000000 ] - [ 0.0000014500000000, 0.0000008300000000, -0.0000591700000000 ] - [ -0.0000014500000000, 0.0000008300000000, -0.0000591700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000599600000000 ] - [ 0.0000000000000000, -0.0000016700000000, -0.0000591700000000 ] - [ 0.0000000000000000, -0.0000019200000000, -0.0007498800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007508800000000 ] - [ -0.0000016700000000, 0.0000009600000000, -0.0007498800000000 ] - [ 0.0000016700000000, 0.0000009600000000, -0.0007498800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004179100000000 ] - [ 0.0000000000000000, -0.0000027500000000, -0.0004188700000000 ] - [ 0.0000023800000000, 0.0000013800000000, -0.0004188700000000 ] - [ -0.0000023800000000, 0.0000013800000000, -0.0004188700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001013800000000 ] - [ 0.0000000000000000, 0.0000198500000000, 0.0000176800000000 ] - [ -0.0000171900000000, -0.0000099200000000, 0.0000176800000000 ] - [ 0.0000171900000000, -0.0000099200000000, 0.0000176800000000 ] - [ 0.0000573900000000, 0.0000331400000000, -0.0010243200000000 ] - [ -0.0000573900000000, 0.0000331400000000, -0.0010243200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015660900000000 ] - [ 0.0000000000000000, -0.0000662700000000, -0.0010243200000000 ] - [ -0.0113266900000000, -0.0065394700000000, 0.0094861700000000 ] - [ 0.0113266900000000, -0.0065394700000000, 0.0094861700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020871000000000 ] - [ 0.0000000000000000, 0.0130789300000000, 0.0094861700000000 ] - [ 0.0000000000000000, 0.0008340800000000, -0.0009877100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003601800000000 ] - [ 0.0007223300000000, -0.0004170400000000, -0.0009877100000000 ] - [ -0.0007223300000000, -0.0004170400000000, -0.0009877100000000 ] - [ -0.0000019900000000, -0.0000011500000000, -0.0003296400000000 ] - [ 0.0000019900000000, -0.0000011500000000, -0.0003296400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003264500000000 ] - [ 0.0000000000000000, 0.0000023000000000, -0.0003296400000000 ] - [ 0.0000000000000000, 0.0000033400000000, -0.0005100600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005089600000000 ] - [ 0.0000028900000000, -0.0000016700000000, -0.0005100600000000 ] - [ -0.0000028900000000, -0.0000016700000000, -0.0005100600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0477921200000000 ] - [ 0.0000000000000000, -0.0008207500000000, 0.0021389300000000 ] - [ 0.0007107900000000, 0.0004103700000000, 0.0021389300000000 ] - [ -0.0007107900000000, 0.0004103700000000, 0.0021389300000000 ] - [ -0.0000111500000000, -0.0000064400000000, 0.0004566800000000 ] - [ 0.0000111500000000, -0.0000064400000000, 0.0004566800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004494200000000 ] - [ 0.0000000000000000, 0.0000128800000000, 0.0004566800000000 ] - [ 0.0000000000000000, 0.0024245900000000, 0.0038338200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016710900000000 ] - [ 0.0020997600000000, -0.0012123000000000, 0.0038338200000000 ] - [ -0.0020997600000000, -0.0012123000000000, 0.0038338200000000 ] - [ 0.0000000000000000, -0.0000010800000000, 0.0007535000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007535600000000 ] - [ -0.0000009300000000, 0.0000005400000000, 0.0007535000000000 ] - [ 0.0000009300000000, 0.0000005400000000, 0.0007535000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000018000000000 ] - [ 0.0000000000000000, 0.0003951900000000, 0.0005221900000000 ] - [ -0.0003422400000000, -0.0001975900000000, 0.0005221900000000 ] - [ 0.0003422400000000, -0.0001975900000000, 0.0005221900000000 ] - [ -0.0000005200000000, -0.0000003000000000, 0.0011978500000000 ] - [ 0.0000005200000000, -0.0000003000000000, 0.0011978500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012004700000000 ] - [ 0.0000000000000000, 0.0000006000000000, 0.0011978500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1031140200000000 ] - [ 0.0000000000000000, -0.0007743500000000, -0.0027192600000000 ] - [ 0.0006706100000000, 0.0003871800000000, -0.0027192600000000 ] - [ -0.0006706100000000, 0.0003871800000000, -0.0027192600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002623600000000 ] - [ 0.0000000000000000, 0.0000009300000000, 0.0002676100000000 ] - [ -0.0000008000000000, -0.0000004600000000, 0.0002676100000000 ] - [ 0.0000008000000000, -0.0000004600000000, 0.0002676100000000 ] - [ -0.0000067200000000, -0.0000038800000000, 0.0006379900000000 ] - [ 0.0000067200000000, -0.0000038800000000, 0.0006379900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006217000000000 ] - [ 0.0000000000000000, 0.0000077600000000, 0.0006379900000000 ] - [ 0.0000000000000000, 0.0000439100000000, 0.0002362500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001519200000000 ] - [ 0.0000380300000000, -0.0000219500000000, 0.0002362500000000 ] - [ -0.0000380300000000, -0.0000219500000000, 0.0002362500000000 ] - [ -0.0033976400000000, -0.0019616300000000, 0.0034507700000000 ] - [ 0.0033976400000000, -0.0019616300000000, 0.0034507700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021664100000000 ] - [ 0.0000000000000000, 0.0039232600000000, 0.0034507700000000 ] - [ 0.0000276000000000, 0.0000159400000000, -0.0004134000000000 ] - [ -0.0000276000000000, 0.0000159400000000, -0.0004134000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010670400000000 ] - [ 0.0000000000000000, -0.0000318800000000, -0.0004134000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005640000000000 ] - [ 0.0000000000000000, 0.0000001800000000, 0.0005678100000000 ] - [ -0.0000001600000000, -0.0000000900000000, 0.0005678100000000 ] - [ 0.0000001600000000, -0.0000000900000000, 0.0005678100000000 ] - [ 0.0000000000000000, -0.0000023600000000, 0.0009284200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009292800000000 ] - [ -0.0000020400000000, 0.0000011800000000, 0.0009284200000000 ] - [ 0.0000020400000000, 0.0000011800000000, 0.0009284200000000 ] - [ 0.0000000000000000, 0.0000016700000000, 0.0006156000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006099400000000 ] - [ 0.0000014500000000, -0.0000008400000000, 0.0006156000000000 ] - [ -0.0000014500000000, -0.0000008400000000, 0.0006156000000000 ] - [ 0.0000000000000000, -0.0000007100000000, 0.0009411900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009410000000000 ] - [ -0.0000006100000000, 0.0000003500000000, 0.0009411900000000 ] - [ 0.0000006100000000, 0.0000003500000000, 0.0009411900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001260300000000 ] - [ 0.0000000000000000, 0.0000556400000000, 0.0003004700000000 ] - [ -0.0000481800000000, -0.0000278200000000, 0.0003004700000000 ] - [ 0.0000481800000000, -0.0000278200000000, 0.0003004700000000 ] - [ -0.0000004900000000, -0.0000002800000000, 0.0007134400000000 ] - [ 0.0000004900000000, -0.0000002800000000, 0.0007134400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007155600000000 ] - [ 0.0000000000000000, 0.0000005600000000, 0.0007134400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003055900000000 ] - [ 0.0000000000000000, -0.0000015900000000, 0.0003103400000000 ] - [ 0.0000013700000000, 0.0000007900000000, 0.0003103400000000 ] - [ -0.0000013700000000, 0.0000007900000000, 0.0003103400000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000120300000000 ] - [ 0.0000000000000000, 0.0000025300000000, 0.0000081700000000 ] - [ -0.0000021900000000, -0.0000012700000000, 0.0000081700000000 ] - [ 0.0000021900000000, -0.0000012700000000, 0.0000081700000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0007561800000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0007561800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007562800000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0007561800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004291600000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0004274000000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0004274000000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0004274000000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0008747800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008747900000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0008747800000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0008747800000000 ] - [ 0.0000000000000000, 0.0001613900000000, 0.0007720400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009993000000000 ] - [ 0.0001397600000000, -0.0000806900000000, 0.0007720400000000 ] - [ -0.0001397600000000, -0.0000806900000000, 0.0007720400000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0006180500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006158600000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0006180500000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0006180500000000 ] - [ -0.0000237500000000, -0.0000137100000000, 0.0002505500000000 ] - [ 0.0000237500000000, -0.0000137100000000, 0.0002505500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002732400000000 ] - [ 0.0000000000000000, 0.0000274300000000, 0.0002505500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007878300000000 ] - [ 0.0000000000000000, 0.0018562000000000, -0.0005470200000000 ] - [ -0.0016075100000000, -0.0009281000000000, -0.0005470200000000 ] - [ 0.0016075100000000, -0.0009281000000000, -0.0005470200000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0007789600000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0007789600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007789800000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0007789600000000 ] - [ 0.0000000000000000, 0.0000007100000000, 0.0000914000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000916800000000 ] - [ 0.0000006100000000, -0.0000003500000000, 0.0000914000000000 ] - [ -0.0000006100000000, -0.0000003500000000, 0.0000914000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004285800000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0004276100000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0004276100000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0004276100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008186600000000 ] - [ 0.0000000000000000, -0.0000173700000000, 0.0009010100000000 ] - [ 0.0000150400000000, 0.0000086900000000, 0.0009010100000000 ] - [ -0.0000150400000000, 0.0000086900000000, 0.0009010100000000 ] - [ -0.0000564000000000, -0.0000325600000000, -0.0004362500000000 ] - [ 0.0000564000000000, -0.0000325600000000, -0.0004362500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001021300000000 ] - [ 0.0000000000000000, 0.0000651200000000, -0.0004362500000000 ] - [ 0.0114772000000000, 0.0066263700000000, -0.0103873100000000 ] - [ -0.0114772000000000, 0.0066263700000000, -0.0103873100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031266700000000 ] - [ 0.0000000000000000, -0.0132527300000000, -0.0103873100000000 ] - [ 0.0000000000000000, -0.0008261600000000, 0.0004686700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008754800000000 ] - [ -0.0007154800000000, 0.0004130800000000, 0.0004686700000000 ] - [ 0.0007154800000000, 0.0004130800000000, 0.0004686700000000 ] - [ 0.0000035400000000, 0.0000020400000000, 0.0004800000000000 ] - [ -0.0000035400000000, 0.0000020400000000, 0.0004800000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004794200000000 ] - [ 0.0000000000000000, -0.0000040900000000, 0.0004800000000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0003385000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003384100000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0003385000000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0003385000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0462510000000000 ] - [ 0.0000000000000000, 0.0008191200000000, -0.0031528400000000 ] - [ -0.0007093800000000, -0.0004095600000000, -0.0031528400000000 ] - [ 0.0007093800000000, -0.0004095600000000, -0.0031528400000000 ] - [ 0.0000108500000000, 0.0000062700000000, -0.0003892300000000 ] - [ -0.0000108500000000, 0.0000062700000000, -0.0003892300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003802700000000 ] - [ 0.0000000000000000, -0.0000125300000000, -0.0003892300000000 ] - [ 0.0000000000000000, -0.0023762900000000, -0.0045058200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009255100000000 ] - [ -0.0020579300000000, 0.0011881400000000, -0.0045058200000000 ] - [ 0.0020579300000000, 0.0011881400000000, -0.0045058200000000 ] - [ 0.0000000000000000, -0.0000000700000000, -0.0000935200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000937800000000 ] - [ -0.0000000600000000, 0.0000000400000000, -0.0000935200000000 ] - [ 0.0000000600000000, 0.0000000400000000, -0.0000935200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000453700000000 ] - [ 0.0000000000000000, -0.0004001600000000, -0.0005776000000000 ] - [ 0.0003465500000000, 0.0002000800000000, -0.0005776000000000 ] - [ -0.0003465500000000, 0.0002000800000000, -0.0005776000000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0003631000000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0003631000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003632000000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0003631000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1003899700000000 ] - [ 0.0000000000000000, 0.0007695300000000, 0.0029686300000000 ] - [ -0.0006664300000000, -0.0003847600000000, 0.0029686300000000 ] - [ 0.0006664300000000, -0.0003847600000000, 0.0029686300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005779700000000 ] - [ 0.0000000000000000, -0.0000004700000000, -0.0005776300000000 ] - [ 0.0000004100000000, 0.0000002300000000, -0.0005776300000000 ] - [ -0.0000004100000000, 0.0000002300000000, -0.0005776300000000 ] - [ 0.0000065200000000, 0.0000037700000000, -0.0002031900000000 ] - [ -0.0000065200000000, 0.0000037700000000, -0.0002031900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001942600000000 ] - [ 0.0000000000000000, -0.0000075300000000, -0.0002031900000000 ] - [ 0.0000000000000000, -0.0000442300000000, -0.0006393000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005526800000000 ] - [ -0.0000383000000000, 0.0000221100000000, -0.0006393000000000 ] - [ 0.0000383000000000, 0.0000221100000000, -0.0006393000000000 ] - [ 0.0034350500000000, 0.0019832300000000, -0.0051102700000000 ] - [ -0.0034350500000000, 0.0019832300000000, -0.0051102700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005745100000000 ] - [ 0.0000000000000000, -0.0039664600000000, -0.0051102700000000 ] - [ -0.0000275100000000, -0.0000158800000000, -0.0005278100000000 ] - [ 0.0000275100000000, -0.0000158800000000, -0.0005278100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019977000000000 ] - [ 0.0000000000000000, 0.0000317600000000, -0.0005278100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002681700000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0002686200000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0002686200000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0002686200000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0000800600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000799700000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0000800600000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0000800600000000 ] - [ 0.0000000000000000, -0.0000010400000000, -0.0002119100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002057900000000 ] - [ -0.0000009000000000, 0.0000005200000000, -0.0002119100000000 ] - [ 0.0000009000000000, 0.0000005200000000, -0.0002119100000000 ] - [ 0.0000000000000000, -0.0000002900000000, 0.0001242900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001242700000000 ] - [ -0.0000002500000000, 0.0000001400000000, 0.0001242900000000 ] - [ 0.0000002500000000, 0.0000001400000000, 0.0001242900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004570500000000 ] - [ 0.0000000000000000, -0.0000552100000000, -0.0006293600000000 ] - [ 0.0000478100000000, 0.0000276100000000, -0.0006293600000000 ] - [ -0.0000478100000000, 0.0000276100000000, -0.0006293600000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0001310600000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0001310600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001307900000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0001310600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005256900000000 ] - [ 0.0000000000000000, -0.0000012700000000, -0.0005277200000000 ] - [ 0.0000011000000000, 0.0000006300000000, -0.0005277200000000 ] - [ -0.0000011000000000, 0.0000006300000000, -0.0005277200000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000144300000000, 0.0000092000000000, -0.0004080200000000 ] - [ -0.0000141800000000, 0.0000091400000000, -0.0004083400000000 ] - [ -0.0000144200000000, 0.0000093400000000, -0.0004084900000000 ] - [ -0.0000144800000000, 0.0000095000000000, -0.0004081800000000 ] - [ -0.0000139400000000, 0.0000085500000000, 0.0003389900000000 ] - [ -0.0000154800000000, 0.0000080500000000, 0.0003357100000000 ] - [ -0.0000143100000000, 0.0000096400000000, 0.0003371800000000 ] - [ -0.0000151300000000, 0.0000088000000000, 0.0003371200000000 ] - [ 0.0000115100000000, -0.0000086200000000, 0.0000102800000000 ] - [ 0.0000190200000000, -0.0000090300000000, 0.0000105700000000 ] - [ 0.0000175300000000, -0.0000102800000000, 0.0000367900000000 ] - [ 0.0000170900000000, -0.0000081700000000, -0.0000162600000000 ] - [ 0.0000125300000000, -0.0000082800000000, 0.0004556600000000 ] - [ 0.0000183600000000, -0.0000088700000000, 0.0004565600000000 ] - [ 0.0000156700000000, -0.0000098000000000, 0.0004598300000000 ] - [ 0.0000150500000000, -0.0000067700000000, 0.0004538000000000 ] - [ -0.0000162800000000, 0.0000091200000000, 0.0004005200000000 ] - [ -0.0000156500000000, 0.0000088800000000, 0.0004004600000000 ] - [ -0.0000155900000000, 0.0000088100000000, 0.0004003800000000 ] - [ -0.0000164100000000, 0.0000092400000000, 0.0004006100000000 ] - [ 0.0012873500000000, -0.0000930100000000, 0.0002052700000000 ] - [ -0.0004470600000000, 0.0000034800000000, 0.0001987600000000 ] - [ 0.0301499000000000, -0.0167629500000000, -0.0130266000000000 ] - [ 0.0289169400000000, 0.0158594600000000, 0.0127743700000000 ] - [ -0.0000154900000000, 0.0000094500000000, -0.0001605800000000 ] - [ -0.0000154200000000, 0.0000093600000000, -0.0001603200000000 ] - [ -0.0000152900000000, 0.0000093600000000, -0.0001604200000000 ] - [ -0.0000155300000000, 0.0000094900000000, -0.0001608200000000 ] - [ -0.0000164900000000, 0.0000105700000000, -0.0001824200000000 ] - [ -0.0000146700000000, 0.0000092500000000, -0.0001833600000000 ] - [ -0.0000149900000000, 0.0000089900000000, -0.0001833900000000 ] - [ -0.0000166200000000, 0.0000103800000000, -0.0001818400000000 ] - [ 0.0000139400000000, 0.0000227400000000, 0.0003161100000000 ] - [ 0.0000146900000000, -0.0000402700000000, 0.0004046800000000 ] - [ 0.0001119700000000, -0.0000090300000000, 0.0003611000000000 ] - [ -0.0000403600000000, -0.0000084200000000, 0.0003598600000000 ] - [ -0.0000150700000000, 0.0000089900000000, -0.0003275000000000 ] - [ -0.0000146800000000, 0.0000081800000000, -0.0003282600000000 ] - [ -0.0000141400000000, 0.0000080100000000, -0.0003276300000000 ] - [ -0.0000155700000000, 0.0000082800000000, -0.0003278800000000 ] - [ 0.0036829500000000, -0.0000252200000000, -0.0000877100000000 ] - [ -0.0010478500000000, -0.0000099900000000, 0.0000033300000000 ] - [ 0.0000256700000000, 0.0006149400000000, 0.0005659500000000 ] - [ 0.0000298700000000, -0.0006272600000000, -0.0005454700000000 ] - [ 0.0000257600000000, 0.0000091100000000, 0.0004611900000000 ] - [ -0.0000528100000000, 0.0000085300000000, 0.0004608500000000 ] - [ -0.0000442600000000, 0.0000125700000000, 0.0005037700000000 ] - [ -0.0000453500000000, 0.0000032200000000, 0.0004194200000000 ] - [ 0.0000162200000000, 0.0000097100000000, -0.0007222600000000 ] - [ 0.0000162900000000, -0.0000267200000000, -0.0007298200000000 ] - [ 0.0000424500000000, -0.0000077100000000, -0.0007254500000000 ] - [ -0.0000151900000000, -0.0000074900000000, -0.0007260000000000 ] - [ 0.0000160200000000, -0.0000085100000000, -0.0005103300000000 ] - [ 0.0000148900000000, -0.0000087900000000, -0.0005106500000000 ] - [ 0.0000157700000000, -0.0000084400000000, -0.0005108800000000 ] - [ 0.0000149900000000, -0.0000090700000000, -0.0005098400000000 ] - [ 0.0000185500000000, -0.0000089700000000, -0.0002772500000000 ] - [ 0.0000124800000000, -0.0000088600000000, -0.0002773100000000 ] - [ 0.0000152000000000, -0.0000064800000000, -0.0002777800000000 ] - [ 0.0000151900000000, -0.0000103100000000, -0.0002762100000000 ] - [ -0.0000175200000000, -0.0004077100000000, 0.0002825700000000 ] - [ -0.0000185600000000, 0.0004283800000000, -0.0001588900000000 ] - [ -0.0016017500000000, 0.0000068700000000, 0.0000601400000000 ] - [ 0.0007060600000000, 0.0000067600000000, 0.0000619800000000 ] - [ -0.0000589000000000, -0.0000112000000000, -0.0000768100000000 ] - [ -0.0000264800000000, -0.0000087700000000, -0.0000825500000000 ] - [ 0.0002356200000000, -0.0001800000000000, -0.0009922900000000 ] - [ 0.0002366100000000, 0.0001608000000000, 0.0008265900000000 ] - [ 0.0000162100000000, -0.0000089200000000, -0.0005027900000000 ] - [ 0.0000149100000000, -0.0000086500000000, -0.0005031000000000 ] - [ 0.0000151700000000, -0.0000091500000000, -0.0005031400000000 ] - [ 0.0000154900000000, -0.0000097200000000, -0.0005032600000000 ] - [ -0.0000019800000000, 0.0000515600000000, 0.0000048800000000 ] - [ 0.0000089500000000, -0.0000523300000000, 0.0000760700000000 ] - [ 0.0004309000000000, -0.0000104500000000, 0.0000407800000000 ] - [ -0.0000863600000000, -0.0000037400000000, 0.0000365200000000 ] - [ -0.0000087000000000, 0.0000001800000000, -0.0003685000000000 ] - [ -0.0000028000000000, 0.0000005700000000, -0.0003680400000000 ] - [ -0.0000062200000000, 0.0000043200000000, -0.0003722100000000 ] - [ -0.0000054300000000, 0.0000077200000000, -0.0003682600000000 ] - [ -0.0008086900000000, -0.0000006400000000, 0.0003082700000000 ] - [ 0.0000660700000000, 0.0000031000000000, 0.0003274500000000 ] - [ 0.0017197500000000, -0.0014607100000000, 0.0037561400000000 ] - [ 0.0017063500000000, 0.0014514100000000, -0.0030795600000000 ] - [ 0.0000064900000000, -0.0000086800000000, -0.0000176200000000 ] - [ 0.0000046900000000, -0.0000024400000000, -0.0000237100000000 ] - [ -0.0000002300000000, -0.0000004400000000, -0.0000241600000000 ] - [ 0.0000111300000000, -0.0000014000000000, -0.0000158800000000 ] - [ -0.0000102000000000, 0.0000454400000000, 0.0008364400000000 ] - [ -0.0000074000000000, -0.0000448900000000, 0.0007092100000000 ] - [ 0.0003635300000000, 0.0000045500000000, 0.0007699600000000 ] - [ -0.0000868600000000, 0.0000074700000000, 0.0007735400000000 ] - [ -0.0000058300000000, -0.0000033500000000, 0.0001252700000000 ] - [ -0.0000059100000000, 0.0000045400000000, 0.0001280000000000 ] - [ -0.0000124400000000, 0.0000047900000000, 0.0001249500000000 ] - [ 0.0000008900000000, 0.0000048600000000, 0.0001220200000000 ] - [ -0.0949286400000000, 0.0010716700000000, 0.0006098200000000 ] - [ 0.0166312500000000, -0.0000018200000000, -0.0001461800000000 ] - [ 0.0044141600000000, -0.0070581600000000, -0.0008510600000000 ] - [ 0.0044037600000000, 0.0070548800000000, 0.0005552800000000 ] - [ 0.0000058000000000, -0.0000002500000000, 0.0002032100000000 ] - [ 0.0000051500000000, -0.0000066100000000, 0.0002086800000000 ] - [ 0.0000107600000000, -0.0000031200000000, 0.0002033800000000 ] - [ 0.0000001100000000, -0.0000035800000000, 0.0002061700000000 ] - [ 0.0000026300000000, -0.0000056000000000, -0.0001929900000000 ] - [ 0.0000089300000000, -0.0000041400000000, -0.0001867300000000 ] - [ 0.0000043400000000, -0.0000044500000000, -0.0001860200000000 ] - [ 0.0000070700000000, -0.0000009500000000, -0.0001882700000000 ] - [ 0.0000013200000000, 0.0000012400000000, -0.0007946500000000 ] - [ 0.0000095600000000, -0.0000081200000000, -0.0007931000000000 ] - [ 0.0000134400000000, -0.0000055500000000, -0.0007949100000000 ] - [ -0.0000026500000000, -0.0000011600000000, -0.0007889900000000 ] - [ -0.0000056800000000, -0.0000003800000000, -0.0004813200000000 ] - [ -0.0000074500000000, 0.0000087700000000, -0.0004690100000000 ] - [ -0.0000117800000000, 0.0000032700000000, -0.0004705400000000 ] - [ 0.0000013700000000, 0.0000022000000000, -0.0004760300000000 ] - [ -0.0000106400000000, 0.0000031900000000, 0.0001537100000000 ] - [ -0.0000034700000000, 0.0000037800000000, 0.0001541600000000 ] - [ 0.0000063000000000, 0.0000084400000000, 0.0000805100000000 ] - [ 0.0000074300000000, -0.0000033300000000, 0.0002294900000000 ] - [ 0.0000118200000000, -0.0000075100000000, 0.0005019900000000 ] - [ -0.0000010900000000, -0.0000079700000000, 0.0004984400000000 ] - [ 0.0000058000000000, 0.0000036700000000, 0.0005007800000000 ] - [ 0.0000052100000000, -0.0000036000000000, 0.0005054700000000 ] - [ -0.0003964800000000, -0.0000039500000000, 0.0001886800000000 ] - [ 0.0000099500000000, -0.0000053200000000, 0.0001897100000000 ] - [ 0.0022628700000000, -0.0015398200000000, -0.0019133500000000 ] - [ 0.0022498100000000, 0.0015235200000000, 0.0022830900000000 ] - [ -0.0000091800000000, 0.0000038700000000, 0.0005300100000000 ] - [ -0.0000001900000000, 0.0000031200000000, 0.0005329700000000 ] - [ -0.0000052200000000, 0.0000011400000000, 0.0005294900000000 ] - [ -0.0000066700000000, 0.0000047500000000, 0.0005435300000000 ] - [ -0.0000114300000000, 0.0000042700000000, -0.0001585300000000 ] - [ -0.0000028000000000, -0.0000013800000000, -0.0001656400000000 ] - [ 0.0000120300000000, 0.0000105000000000, -0.0001093500000000 ] - [ 0.0000020700000000, -0.0000010000000000, -0.0002089200000000 ] - [ -0.0000029200000000, -0.0000016900000000, 0.0003030500000000 ] - [ -0.0000093300000000, -0.0000020900000000, 0.0003020400000000 ] - [ -0.0000061700000000, 0.0000104200000000, 0.0002977300000000 ] - [ -0.0000065900000000, 0.0000069900000000, 0.0002967300000000 ] - [ 0.0000037600000000, -0.0000035400000000, -0.0001173300000000 ] - [ 0.0000072800000000, -0.0000073100000000, -0.0001158900000000 ] - [ 0.0000087100000000, -0.0000022100000000, -0.0001183400000000 ] - [ 0.0000024000000000, -0.0000002300000000, -0.0001128900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008249200000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0008253300000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0008253300000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0008253300000000 ] - [ -0.0000003600000000, -0.0000002100000000, -0.0000798900000000 ] - [ 0.0000003600000000, -0.0000002100000000, -0.0000798900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000764300000000 ] - [ 0.0000000000000000, 0.0000004200000000, -0.0000798900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003469600000000 ] - [ 0.0000000000000000, 0.0000273900000000, -0.0004257900000000 ] - [ -0.0000237200000000, -0.0000136900000000, -0.0004257900000000 ] - [ 0.0000237200000000, -0.0000136900000000, -0.0004257900000000 ] - [ 0.0000000000000000, -0.0000035000000000, 0.0000356100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000140000000000 ] - [ -0.0000030300000000, 0.0000017500000000, 0.0000356100000000 ] - [ 0.0000030300000000, 0.0000017500000000, 0.0000356100000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0000127800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000130500000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0000127800000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0000127800000000 ] - [ 0.0000000000000000, -0.0130616200000000, 0.0102019700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026382000000000 ] - [ -0.0113117000000000, 0.0065308100000000, 0.0102019700000000 ] - [ 0.0113117000000000, 0.0065308100000000, 0.0102019700000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0005792100000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0005792100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005790200000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0005792100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006057700000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0006073600000000 ] - [ 0.0000002000000000, 0.0000001200000000, -0.0006073600000000 ] - [ -0.0000002000000000, 0.0000001200000000, -0.0006073600000000 ] - [ 0.0000591900000000, 0.0000341700000000, 0.0000784000000000 ] - [ -0.0000591900000000, 0.0000341700000000, 0.0000784000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004804700000000 ] - [ 0.0000000000000000, -0.0000683500000000, 0.0000784000000000 ] - [ 0.0000000000000000, 0.0000003500000000, -0.0007445100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007446800000000 ] - [ 0.0000003000000000, -0.0000001700000000, -0.0007445100000000 ] - [ -0.0000003000000000, -0.0000001700000000, -0.0007445100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0476023600000000 ] - [ 0.0000000000000000, -0.0008520400000000, 0.0027345100000000 ] - [ 0.0007378800000000, 0.0004260200000000, 0.0027345100000000 ] - [ -0.0007378800000000, 0.0004260200000000, 0.0027345100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000787400000000 ] - [ 0.0000000000000000, 0.0005197100000000, 0.0000169900000000 ] - [ -0.0004500800000000, -0.0002598600000000, 0.0000169900000000 ] - [ 0.0004500800000000, -0.0002598600000000, 0.0000169900000000 ] - [ -0.0000754400000000, -0.0000435500000000, -0.0011313900000000 ] - [ 0.0000754400000000, -0.0000435500000000, -0.0011313900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012160600000000 ] - [ 0.0000000000000000, 0.0000871100000000, -0.0011313900000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0009283500000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0009283500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009287100000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0009283500000000 ] - [ 0.0000000000000000, 0.0000005500000000, -0.0006906700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006992600000000 ] - [ 0.0000004700000000, -0.0000002700000000, -0.0006906700000000 ] - [ -0.0000004700000000, -0.0000002700000000, -0.0006906700000000 ] - [ 0.0009412700000000, 0.0005434400000000, -0.0002601800000000 ] - [ -0.0009412700000000, 0.0005434400000000, -0.0002601800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006450800000000 ] - [ 0.0000000000000000, -0.0010868900000000, -0.0002601800000000 ] - [ 0.0000000000000000, 0.0008565300000000, -0.0008443400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005582400000000 ] - [ 0.0007417800000000, -0.0004282700000000, -0.0008443400000000 ] - [ -0.0007417800000000, -0.0004282700000000, -0.0008443400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009188600000000 ] - [ 0.0000000000000000, 0.0000019900000000, -0.0009191100000000 ] - [ -0.0000017300000000, -0.0000010000000000, -0.0009191100000000 ] - [ 0.0000017300000000, -0.0000010000000000, -0.0009191100000000 ] - [ -0.0001300200000000, -0.0000750700000000, 0.0001037400000000 ] - [ 0.0001300200000000, -0.0000750700000000, 0.0001037400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015777700000000 ] - [ 0.0000000000000000, 0.0001501400000000, 0.0001037400000000 ] - [ 0.0000000000000000, -0.0000007500000000, 0.0000466400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000391400000000 ] - [ -0.0000006500000000, 0.0000003700000000, 0.0000466400000000 ] - [ 0.0000006500000000, 0.0000003700000000, 0.0000466400000000 ] - [ 0.0000000000000000, 0.0023988200000000, 0.0046479600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010406000000000 ] - [ 0.0020774400000000, -0.0011994100000000, 0.0046479600000000 ] - [ -0.0020774400000000, -0.0011994100000000, 0.0046479600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003986700000000 ] - [ 0.0000000000000000, 0.0000005800000000, 0.0003978000000000 ] - [ -0.0000005000000000, -0.0000002900000000, 0.0003978000000000 ] - [ 0.0000005000000000, -0.0000002900000000, 0.0003978000000000 ] - [ 0.0000298200000000, 0.0000172100000000, 0.0008372500000000 ] - [ -0.0000298200000000, 0.0000172100000000, 0.0008372500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023570300000000 ] - [ 0.0000000000000000, -0.0000344300000000, 0.0008372500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005452700000000 ] - [ 0.0000000000000000, -0.0000016400000000, 0.0005454300000000 ] - [ 0.0000014200000000, 0.0000008200000000, 0.0005454300000000 ] - [ -0.0000014200000000, 0.0000008200000000, 0.0005454300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1020950800000000 ] - [ 0.0000000000000000, 0.0008165600000000, -0.0030783600000000 ] - [ -0.0007071600000000, -0.0004082800000000, -0.0030783600000000 ] - [ 0.0007071600000000, -0.0004082800000000, -0.0030783600000000 ] - [ -0.0000009300000000, -0.0000005400000000, 0.0006345200000000 ] - [ 0.0000009300000000, -0.0000005400000000, 0.0006345200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006347200000000 ] - [ 0.0000000000000000, 0.0000010800000000, 0.0006345200000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0002131400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002144800000000 ] - [ 0.0000002700000000, -0.0000001500000000, 0.0002131400000000 ] - [ -0.0000002700000000, -0.0000001500000000, 0.0002131400000000 ] - [ -0.0000002400000000, -0.0000001400000000, -0.0003762100000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0003762100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003753100000000 ] - [ 0.0000000000000000, 0.0000002800000000, -0.0003762100000000 ] - [ 0.0000158100000000, 0.0000091300000000, -0.0000476600000000 ] - [ -0.0000158100000000, 0.0000091300000000, -0.0000476600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000539700000000 ] - [ 0.0000000000000000, -0.0000182600000000, -0.0000476600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004309700000000 ] - [ 0.0000000000000000, 0.0000550900000000, 0.0006098100000000 ] - [ -0.0000477100000000, -0.0000275400000000, 0.0006098100000000 ] - [ 0.0000477100000000, -0.0000275400000000, 0.0006098100000000 ] - [ 0.0000000000000000, 0.0000030400000000, 0.0009221200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009254700000000 ] - [ 0.0000026300000000, -0.0000015200000000, 0.0009221200000000 ] - [ -0.0000026300000000, -0.0000015200000000, 0.0009221200000000 ] - [ 0.0000000000000000, -0.0045960600000000, 0.0043672400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011129200000000 ] - [ -0.0039803000000000, 0.0022980300000000, 0.0043672400000000 ] - [ 0.0039803000000000, 0.0022980300000000, 0.0043672400000000 ] - [ 0.0000000000000000, -0.0000051600000000, 0.0009401600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009945100000000 ] - [ -0.0000044700000000, 0.0000025800000000, 0.0009401600000000 ] - [ 0.0000044700000000, 0.0000025800000000, 0.0009401600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001236100000000 ] - [ 0.0000000000000000, -0.0000824900000000, 0.0003040100000000 ] - [ 0.0000714400000000, 0.0000412500000000, 0.0003040100000000 ] - [ -0.0000714400000000, 0.0000412500000000, 0.0003040100000000 ] - [ -0.0000021900000000, -0.0000012600000000, 0.0007139600000000 ] - [ 0.0000021900000000, -0.0000012600000000, 0.0007139600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007078200000000 ] - [ 0.0000000000000000, 0.0000025300000000, 0.0007139600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003070700000000 ] - [ 0.0000000000000000, 0.0000021000000000, 0.0003062000000000 ] - [ -0.0000018200000000, -0.0000010500000000, 0.0003062000000000 ] - [ 0.0000018200000000, -0.0000010500000000, 0.0003062000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000269600000000 ] - [ 0.0000000000000000, 0.0000085300000000, -0.0000285800000000 ] - [ -0.0000073900000000, -0.0000042700000000, -0.0000285800000000 ] - [ 0.0000073900000000, -0.0000042700000000, -0.0000285800000000 ] - [ 0.0000050500000000, 0.0000029100000000, 0.0007472900000000 ] - [ -0.0000050500000000, 0.0000029100000000, 0.0007472900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007388700000000 ] - [ 0.0000000000000000, -0.0000058300000000, 0.0007472900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004879900000000 ] - [ 0.0000000000000000, -0.0000273200000000, 0.0005656100000000 ] - [ 0.0000236600000000, 0.0000136600000000, 0.0005656100000000 ] - [ -0.0000236600000000, 0.0000136600000000, 0.0005656100000000 ] - [ 0.0000000000000000, 0.0000071400000000, 0.0008816300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008952200000000 ] - [ 0.0000061800000000, -0.0000035700000000, 0.0008816300000000 ] - [ -0.0000061800000000, -0.0000035700000000, 0.0008816300000000 ] - [ 0.0000000000000000, -0.0000071700000000, 0.0009033000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009037300000000 ] - [ -0.0000062100000000, 0.0000035900000000, 0.0009033000000000 ] - [ 0.0000062100000000, 0.0000035900000000, 0.0009033000000000 ] - [ 0.0000000000000000, 0.0132418900000000, -0.0097278200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023049200000000 ] - [ 0.0114678100000000, -0.0066209500000000, -0.0097278200000000 ] - [ -0.0114678100000000, -0.0066209500000000, -0.0097278200000000 ] - [ -0.0000014100000000, -0.0000008200000000, 0.0002693100000000 ] - [ 0.0000014100000000, -0.0000008200000000, 0.0002693100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002722600000000 ] - [ 0.0000000000000000, 0.0000016300000000, 0.0002693100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002360700000000 ] - [ 0.0000000000000000, 0.0000079300000000, 0.0002370200000000 ] - [ -0.0000068600000000, -0.0000039600000000, 0.0002370200000000 ] - [ 0.0000068600000000, -0.0000039600000000, 0.0002370200000000 ] - [ -0.0000557700000000, -0.0000322000000000, 0.0006206100000000 ] - [ 0.0000557700000000, -0.0000322000000000, 0.0006206100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011722400000000 ] - [ 0.0000000000000000, 0.0000644000000000, 0.0006206100000000 ] - [ 0.0000000000000000, -0.0000031200000000, 0.0000629800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000637900000000 ] - [ -0.0000027000000000, 0.0000015600000000, 0.0000629800000000 ] - [ 0.0000027000000000, 0.0000015600000000, 0.0000629800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0450846400000000 ] - [ 0.0000000000000000, 0.0008358100000000, -0.0027275500000000 ] - [ -0.0007238400000000, -0.0004179100000000, -0.0027275500000000 ] - [ 0.0007238400000000, -0.0004179100000000, -0.0027275500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008629100000000 ] - [ 0.0000000000000000, -0.0005223300000000, 0.0009200200000000 ] - [ 0.0004523500000000, 0.0002611600000000, 0.0009200200000000 ] - [ -0.0004523500000000, 0.0002611600000000, 0.0009200200000000 ] - [ 0.0000808300000000, 0.0000466700000000, -0.0003252100000000 ] - [ -0.0000808300000000, 0.0000466700000000, -0.0003252100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002453600000000 ] - [ 0.0000000000000000, -0.0000933400000000, -0.0003252100000000 ] - [ -0.0000076000000000, -0.0000043900000000, -0.0001268600000000 ] - [ 0.0000076000000000, -0.0000043900000000, -0.0001268600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001200900000000 ] - [ 0.0000000000000000, 0.0000087800000000, -0.0001268600000000 ] - [ 0.0000000000000000, 0.0000116800000000, 0.0002204100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002290400000000 ] - [ 0.0000101100000000, -0.0000058400000000, 0.0002204100000000 ] - [ -0.0000101100000000, -0.0000058400000000, 0.0002204100000000 ] - [ -0.0009375500000000, -0.0005412900000000, 0.0004212000000000 ] - [ 0.0009375500000000, -0.0005412900000000, 0.0004212000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004925300000000 ] - [ 0.0000000000000000, 0.0010825900000000, 0.0004212000000000 ] - [ 0.0000000000000000, -0.0008360700000000, 0.0006015800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007901700000000 ] - [ -0.0007240600000000, 0.0004180400000000, 0.0006015800000000 ] - [ 0.0007240600000000, 0.0004180400000000, 0.0006015800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001553200000000 ] - [ 0.0000000000000000, -0.0000116700000000, -0.0001443700000000 ] - [ 0.0000101100000000, 0.0000058400000000, -0.0001443700000000 ] - [ -0.0000101100000000, 0.0000058400000000, -0.0001443700000000 ] - [ 0.0001281200000000, 0.0000739700000000, -0.0000394300000000 ] - [ -0.0001281200000000, 0.0000739700000000, -0.0000394300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015013000000000 ] - [ 0.0000000000000000, -0.0001479400000000, -0.0000394300000000 ] - [ 0.0000000000000000, 0.0000111900000000, -0.0007822200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007800800000000 ] - [ 0.0000096900000000, -0.0000056000000000, -0.0007822200000000 ] - [ -0.0000096900000000, -0.0000056000000000, -0.0007822200000000 ] - [ 0.0000000000000000, -0.0023400100000000, -0.0039119400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016986300000000 ] - [ -0.0020265100000000, 0.0011700000000000, -0.0039119400000000 ] - [ 0.0020265100000000, 0.0011700000000000, -0.0039119400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004228100000000 ] - [ 0.0000000000000000, 0.0000068800000000, -0.0004321500000000 ] - [ -0.0000059600000000, -0.0000034400000000, -0.0004321500000000 ] - [ 0.0000059600000000, -0.0000034400000000, -0.0004321500000000 ] - [ -0.0000282900000000, -0.0000163300000000, 0.0007467400000000 ] - [ 0.0000282900000000, -0.0000163300000000, 0.0007467400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007492900000000 ] - [ 0.0000000000000000, 0.0000326700000000, 0.0007467400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003226400000000 ] - [ 0.0000000000000000, -0.0000029500000000, -0.0003039700000000 ] - [ 0.0000025600000000, 0.0000014800000000, -0.0003039700000000 ] - [ -0.0000025600000000, 0.0000014800000000, -0.0003039700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0988347900000000 ] - [ 0.0000000000000000, -0.0008218500000000, 0.0027277000000000 ] - [ 0.0007117400000000, 0.0004109200000000, 0.0027277000000000 ] - [ -0.0007117400000000, 0.0004109200000000, 0.0027277000000000 ] - [ -0.0000016900000000, -0.0000009700000000, -0.0001918700000000 ] - [ 0.0000016900000000, -0.0000009700000000, -0.0001918700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002032500000000 ] - [ 0.0000000000000000, 0.0000019500000000, -0.0001918700000000 ] - [ 0.0000000000000000, -0.0000006100000000, -0.0006198200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005999600000000 ] - [ -0.0000005300000000, 0.0000003000000000, -0.0006198200000000 ] - [ 0.0000005300000000, 0.0000003000000000, -0.0006198200000000 ] - [ -0.0000018000000000, -0.0000010400000000, -0.0012373700000000 ] - [ 0.0000018000000000, -0.0000010400000000, -0.0012373700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012363500000000 ] - [ 0.0000000000000000, 0.0000020700000000, -0.0012373700000000 ] - [ -0.0000140300000000, -0.0000081000000000, -0.0008607800000000 ] - [ 0.0000140300000000, -0.0000081000000000, -0.0008607800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008535100000000 ] - [ 0.0000000000000000, 0.0000162000000000, -0.0008607800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001369400000000 ] - [ 0.0000000000000000, -0.0000529600000000, -0.0003017100000000 ] - [ 0.0000458700000000, 0.0000264800000000, -0.0003017100000000 ] - [ -0.0000458700000000, 0.0000264800000000, -0.0003017100000000 ] - [ 0.0000000000000000, 0.0000123100000000, 0.0000732000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000991600000000 ] - [ 0.0000106600000000, -0.0000061500000000, 0.0000732000000000 ] - [ -0.0000106600000000, -0.0000061500000000, 0.0000732000000000 ] - [ 0.0000000000000000, 0.0046524600000000, -0.0039909600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015510300000000 ] - [ 0.0040291500000000, -0.0023262300000000, -0.0039909600000000 ] - [ -0.0040291500000000, -0.0023262300000000, -0.0039909600000000 ] - [ 0.0000000000000000, 0.0000082700000000, 0.0001247300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000647500000000 ] - [ 0.0000071600000000, -0.0000041300000000, 0.0001247300000000 ] - [ -0.0000071600000000, -0.0000041300000000, 0.0001247300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004867000000000 ] - [ 0.0000000000000000, 0.0000926100000000, -0.0006663700000000 ] - [ -0.0000802000000000, -0.0000463000000000, -0.0006663700000000 ] - [ 0.0000802000000000, -0.0000463000000000, -0.0006663700000000 ] - [ -0.0000002700000000, -0.0000001600000000, -0.0001701800000000 ] - [ 0.0000002700000000, -0.0000001600000000, -0.0001701800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001402600000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0001701800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005157400000000 ] - [ 0.0000000000000000, 0.0000113600000000, -0.0005147200000000 ] - [ -0.0000098300000000, -0.0000056800000000, -0.0005147200000000 ] - [ 0.0000098300000000, -0.0000056800000000, -0.0005147200000000 ]- atom: 101 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0292190200000000, 0.0158843600000000, 0.0120096100000000 ] - [ 0.0304473100000000, -0.0167879700000000, -0.0134758000000000 ] - [ -0.0004855500000000, 0.0000030700000000, -0.0004082400000000 ] - [ 0.0015437200000000, -0.0000902200000000, -0.0004016800000000 ] - [ 0.0000203800000000, 0.0000083500000000, 0.0003396200000000 ] - [ -0.0000481200000000, 0.0000076100000000, 0.0003403700000000 ] - [ -0.0000437200000000, 0.0000117800000000, 0.0003819400000000 ] - [ -0.0000450000000000, 0.0000074800000000, 0.0002988200000000 ] - [ 0.0000160700000000, -0.0000109900000000, 0.0000030100000000 ] - [ 0.0000140300000000, -0.0000070700000000, 0.0000017000000000 ] - [ 0.0000121800000000, -0.0000083800000000, 0.0000024000000000 ] - [ 0.0000183900000000, -0.0000095800000000, 0.0000029600000000 ] - [ 0.0000171500000000, -0.0000254500000000, 0.0004547100000000 ] - [ 0.0000163200000000, 0.0000085100000000, 0.0004621500000000 ] - [ -0.0000125700000000, -0.0000080900000000, 0.0004581600000000 ] - [ 0.0000408700000000, -0.0000085500000000, 0.0004586500000000 ] - [ 0.0002592500000000, -0.0001455800000000, 0.0014667200000000 ] - [ 0.0002588300000000, 0.0001652300000000, -0.0006742100000000 ] - [ -0.0000101900000000, 0.0000094900000000, 0.0003968500000000 ] - [ -0.0001058200000000, 0.0000089300000000, 0.0003964800000000 ] - [ -0.0000140600000000, 0.0000106700000000, 0.0001993200000000 ] - [ -0.0000157600000000, 0.0000097500000000, 0.0001990900000000 ] - [ -0.0000140900000000, 0.0000101700000000, 0.0001992700000000 ] - [ -0.0000157000000000, 0.0000091300000000, 0.0001993600000000 ] - [ 0.0029658200000000, -0.0000150700000000, -0.0002545300000000 ] - [ -0.0012037300000000, 0.0000091400000000, -0.0001662000000000 ] - [ 0.0000082500000000, 0.0007114200000000, -0.0002339800000000 ] - [ 0.0000099700000000, -0.0006892400000000, -0.0000817700000000 ] - [ -0.0000191100000000, 0.0000491200000000, -0.0001145300000000 ] - [ -0.0000173600000000, -0.0000294400000000, -0.0002503500000000 ] - [ 0.0001020600000000, 0.0000092500000000, -0.0001822200000000 ] - [ -0.0000863500000000, 0.0000101600000000, -0.0001822800000000 ] - [ 0.0000165600000000, -0.0000096100000000, 0.0003628700000000 ] - [ 0.0000154800000000, -0.0000087400000000, 0.0003622700000000 ] - [ 0.0000151500000000, -0.0000080500000000, 0.0003629100000000 ] - [ 0.0000167100000000, -0.0000085700000000, 0.0003628300000000 ] - [ -0.0000211000000000, 0.0004139800000000, -0.0005504600000000 ] - [ -0.0000206200000000, -0.0003950200000000, -0.0001001800000000 ] - [ 0.0006797200000000, 0.0000071800000000, -0.0003252700000000 ] - [ -0.0015637900000000, 0.0000075200000000, -0.0003282200000000 ] - [ 0.0000148800000000, -0.0000085700000000, 0.0000128600000000 ] - [ 0.0000156300000000, -0.0000088400000000, 0.0000118900000000 ] - [ 0.0000154500000000, -0.0000086300000000, 0.0000121600000000 ] - [ 0.0000150000000000, -0.0000081600000000, 0.0000115600000000 ] - [ -0.0000143200000000, 0.0000092900000000, 0.0004646100000000 ] - [ -0.0000141200000000, 0.0000083900000000, 0.0004653100000000 ] - [ -0.0000134200000000, 0.0000077500000000, 0.0004654100000000 ] - [ -0.0000149400000000, 0.0000078600000000, 0.0004651900000000 ] - [ 0.0000142800000000, -0.0000085500000000, -0.0007257600000000 ] - [ 0.0000151200000000, -0.0000088300000000, -0.0007264300000000 ] - [ 0.0000150100000000, -0.0000076200000000, -0.0007252600000000 ] - [ 0.0000144200000000, -0.0000071400000000, -0.0007254800000000 ] - [ 0.0000178400000000, -0.0000080900000000, -0.0005062700000000 ] - [ 0.0000131800000000, -0.0000091100000000, -0.0005070600000000 ] - [ 0.0000191800000000, -0.0000057800000000, -0.0005403100000000 ] - [ 0.0000175100000000, -0.0000116700000000, -0.0004732000000000 ] - [ 0.0000144200000000, -0.0000095900000000, -0.0002832200000000 ] - [ 0.0000164500000000, -0.0000094400000000, -0.0002866900000000 ] - [ 0.0000152300000000, -0.0000083800000000, -0.0002847200000000 ] - [ 0.0000157400000000, -0.0000072300000000, -0.0002848700000000 ] - [ -0.0000148000000000, 0.0000088400000000, 0.0000535700000000 ] - [ -0.0000161100000000, 0.0000090600000000, 0.0000531700000000 ] - [ -0.0000155700000000, 0.0000086600000000, 0.0000534300000000 ] - [ -0.0000152200000000, 0.0000078500000000, 0.0000540500000000 ] - [ 0.0000154900000000, -0.0000099200000000, -0.0000784500000000 ] - [ 0.0000167800000000, -0.0000096400000000, -0.0000782500000000 ] - [ 0.0000159300000000, -0.0000088500000000, -0.0000784500000000 ] - [ 0.0000165400000000, -0.0000081600000000, -0.0000787400000000 ] - [ 0.0000146500000000, -0.0000109000000000, -0.0004951000000000 ] - [ 0.0000160100000000, -0.0000063700000000, -0.0005017400000000 ] - [ 0.0000117200000000, -0.0000100000000000, -0.0004980400000000 ] - [ 0.0000193800000000, -0.0000092800000000, -0.0004987700000000 ] - [ 0.0000074700000000, -0.0000052000000000, 0.0000284200000000 ] - [ 0.0000025600000000, -0.0000065200000000, 0.0000297600000000 ] - [ 0.0000060700000000, -0.0000000700000000, 0.0000297300000000 ] - [ 0.0000039400000000, -0.0000028400000000, 0.0000308900000000 ] - [ -0.0000037100000000, 0.0000056200000000, -0.0003815000000000 ] - [ -0.0000074700000000, 0.0000049500000000, -0.0003748700000000 ] - [ -0.0000052300000000, 0.0000022800000000, -0.0003779400000000 ] - [ -0.0000065800000000, -0.0000001000000000, -0.0003770800000000 ] - [ -0.0000039000000000, 0.0000017700000000, 0.0003242600000000 ] - [ -0.0000075500000000, 0.0000030700000000, 0.0003253500000000 ] - [ -0.0000067800000000, 0.0000042700000000, 0.0003246900000000 ] - [ -0.0000047200000000, 0.0000021400000000, 0.0003228100000000 ] - [ 0.0000021900000000, 0.0000466600000000, -0.0001348700000000 ] - [ 0.0000053500000000, -0.0000542700000000, 0.0001194100000000 ] - [ 0.0004231500000000, -0.0000034100000000, -0.0000062600000000 ] - [ -0.0000835600000000, -0.0000017500000000, -0.0000076100000000 ] - [ -0.0000052600000000, 0.0000052600000000, 0.0007743000000000 ] - [ -0.0000073100000000, 0.0000054000000000, 0.0007763700000000 ] - [ -0.0000064300000000, 0.0000020200000000, 0.0007760200000000 ] - [ -0.0000060600000000, 0.0000009900000000, 0.0007767800000000 ] - [ -0.0000067400000000, 0.0000009100000000, 0.0001095500000000 ] - [ -0.0000055900000000, 0.0000063900000000, 0.0001215100000000 ] - [ -0.0000084200000000, 0.0000014400000000, 0.0001154900000000 ] - [ -0.0000013700000000, 0.0000021800000000, 0.0001187200000000 ] - [ 0.0000042500000000, -0.0000034600000000, -0.0001601900000000 ] - [ 0.0000064400000000, -0.0000027100000000, -0.0001595900000000 ] - [ 0.0000046300000000, -0.0000045100000000, -0.0001611100000000 ] - [ 0.0000059500000000, -0.0000033400000000, -0.0001598000000000 ] - [ -0.0962680800000000, 0.0010478000000000, 0.0009589500000000 ] - [ 0.0166268200000000, 0.0000001900000000, 0.0002190600000000 ] - [ 0.0044205500000000, -0.0070535100000000, -0.0004466600000000 ] - [ 0.0044121700000000, 0.0070458400000000, 0.0008808600000000 ] - [ 0.0022030400000000, -0.0015310000000000, -0.0042036500000000 ] - [ 0.0022035900000000, 0.0015329400000000, 0.0038081600000000 ] - [ -0.0004501500000000, -0.0000051400000000, -0.0002093100000000 ] - [ 0.0000241300000000, -0.0000039300000000, -0.0002025300000000 ] - [ 0.0000031900000000, -0.0000052500000000, -0.0008000300000000 ] - [ 0.0000062300000000, -0.0000016300000000, -0.0008005500000000 ] - [ 0.0000172000000000, 0.0000048900000000, -0.0007095800000000 ] - [ 0.0000233400000000, -0.0000114800000000, -0.0008931900000000 ] - [ -0.0000078200000000, 0.0000055800000000, -0.0004483200000000 ] - [ -0.0000044800000000, 0.0000027900000000, -0.0004487700000000 ] - [ -0.0000039500000000, 0.0000017800000000, -0.0004511200000000 ] - [ -0.0000086300000000, 0.0000037500000000, -0.0004480100000000 ] - [ -0.0000074800000000, 0.0000019700000000, 0.0001471700000000 ] - [ -0.0000041000000000, 0.0000028400000000, 0.0001437900000000 ] - [ -0.0000067000000000, 0.0000027900000000, 0.0001438200000000 ] - [ -0.0000051900000000, 0.0000048000000000, 0.0001431200000000 ] - [ 0.0000008100000000, -0.0000537700000000, 0.0005233000000000 ] - [ 0.0000065500000000, 0.0000492900000000, 0.0004720600000000 ] - [ -0.0000854900000000, -0.0000071100000000, 0.0004980500000000 ] - [ 0.0004234500000000, -0.0000045000000000, 0.0004952800000000 ] - [ 0.0000059200000000, -0.0000046000000000, 0.0002167100000000 ] - [ 0.0000060700000000, -0.0000015200000000, 0.0002152600000000 ] - [ 0.0000033500000000, -0.0000038200000000, 0.0002148800000000 ] - [ 0.0000085400000000, -0.0000036600000000, 0.0002141600000000 ] - [ -0.0000077900000000, 0.0000062600000000, 0.0005596800000000 ] - [ -0.0000044400000000, -0.0000025500000000, 0.0005495300000000 ] - [ 0.0000015000000000, 0.0000034600000000, 0.0005537600000000 ] - [ -0.0000113000000000, 0.0000054300000000, 0.0005525900000000 ] - [ -0.0000041600000000, 0.0000026800000000, -0.0001674700000000 ] - [ -0.0000077600000000, 0.0000048000000000, -0.0001646000000000 ] - [ -0.0000078900000000, 0.0000035300000000, -0.0001673800000000 ] - [ -0.0000041400000000, 0.0000013900000000, -0.0001680500000000 ] - [ -0.0000079700000000, 0.0000046200000000, 0.0002832300000000 ] - [ -0.0000067800000000, 0.0000053400000000, 0.0002850100000000 ] - [ 0.0000057300000000, 0.0000092800000000, 0.0003336400000000 ] - [ 0.0000071200000000, -0.0000057600000000, 0.0002391400000000 ] - [ 0.0022025900000000, 0.0015227400000000, 0.0019501100000000 ] - [ 0.0022049700000000, -0.0015366400000000, -0.0021888300000000 ] - [ 0.0000197800000000, -0.0000032300000000, -0.0001146300000000 ] - [ -0.0004456300000000, -0.0000105000000000, -0.0001103900000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0113180400000000, 0.0065344700000000, 0.0096304600000000 ] - [ -0.0113180400000000, 0.0065344700000000, 0.0096304600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020821200000000 ] - [ 0.0000000000000000, -0.0130689500000000, 0.0096304600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000391100000000 ] - [ 0.0000000000000000, 0.0005189700000000, -0.0001035500000000 ] - [ -0.0004494400000000, -0.0002594800000000, -0.0001035500000000 ] - [ 0.0004494400000000, -0.0002594800000000, -0.0001035500000000 ] - [ -0.0000008200000000, -0.0000004700000000, -0.0003892800000000 ] - [ 0.0000008200000000, -0.0000004700000000, -0.0003892800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003968700000000 ] - [ 0.0000000000000000, 0.0000009500000000, -0.0003892800000000 ] - [ 0.0000739300000000, -0.0000426800000000, 0.0000550700000000 ] - [ -0.0000739300000000, -0.0000426800000000, 0.0000550700000000 ] - [ 0.0000000000000000, 0.0000853600000000, 0.0000550700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000292900000000 ] - [ -0.0007184300000000, 0.0004147900000000, -0.0003266000000000 ] - [ 0.0007184300000000, 0.0004147900000000, -0.0003266000000000 ] - [ 0.0000000000000000, -0.0008295700000000, -0.0003266000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010107100000000 ] - [ -0.0000004300000000, 0.0000002500000000, -0.0002222500000000 ] - [ 0.0000004300000000, 0.0000002500000000, -0.0002222500000000 ] - [ 0.0000000000000000, -0.0000005000000000, -0.0002222500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002227400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0481420000000000 ] - [ 0.0000000000000000, 0.0008120300000000, 0.0024805500000000 ] - [ -0.0007032300000000, -0.0004060100000000, 0.0024805500000000 ] - [ 0.0007032300000000, -0.0004060100000000, 0.0024805500000000 ] - [ -0.0000573700000000, -0.0000331200000000, -0.0004726500000000 ] - [ 0.0000573700000000, -0.0000331200000000, -0.0004726500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010107800000000 ] - [ 0.0000000000000000, 0.0000662400000000, -0.0004726500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000503500000000 ] - [ 0.0000000000000000, 0.0000014700000000, -0.0000499600000000 ] - [ -0.0000012800000000, -0.0000007400000000, -0.0000499600000000 ] - [ 0.0000012800000000, -0.0000007400000000, -0.0000499600000000 ] - [ -0.0009266800000000, 0.0005350200000000, -0.0006541800000000 ] - [ 0.0009266800000000, 0.0005350200000000, -0.0006541800000000 ] - [ 0.0000000000000000, -0.0010700300000000, -0.0006541800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002540300000000 ] - [ -0.0000003900000000, -0.0000002200000000, -0.0004049400000000 ] - [ 0.0000003900000000, -0.0000002200000000, -0.0004049400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004054300000000 ] - [ 0.0000000000000000, 0.0000004500000000, -0.0004049400000000 ] - [ 0.0000001200000000, 0.0000000700000000, 0.0000484900000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0000484900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000489500000000 ] - [ 0.0000000000000000, -0.0000001400000000, 0.0000484900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011439500000000 ] - [ 0.0000000000000000, -0.0000004000000000, -0.0011445900000000 ] - [ 0.0000003400000000, 0.0000002000000000, -0.0011445900000000 ] - [ -0.0000003400000000, 0.0000002000000000, -0.0011445900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008640800000000 ] - [ 0.0000000000000000, -0.0000170500000000, -0.0009470200000000 ] - [ 0.0000147700000000, 0.0000085300000000, -0.0009470200000000 ] - [ -0.0000147700000000, 0.0000085300000000, -0.0009470200000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0006782800000000 ] - [ 0.0000002900000000, 0.0000001700000000, -0.0006782800000000 ] - [ 0.0000000000000000, -0.0000003400000000, -0.0006782800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006766500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003413700000000 ] - [ 0.0000000000000000, -0.0000006100000000, -0.0003412100000000 ] - [ 0.0000005200000000, 0.0000003000000000, -0.0003412100000000 ] - [ -0.0000005200000000, 0.0000003000000000, -0.0003412100000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0004964100000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0004964100000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0004964100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004964600000000 ] - [ 0.0000028000000000, 0.0000016200000000, -0.0009201100000000 ] - [ -0.0000028000000000, 0.0000016200000000, -0.0009201100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009202200000000 ] - [ 0.0000000000000000, -0.0000032300000000, -0.0009201100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004522200000000 ] - [ 0.0000000000000000, 0.0000024600000000, 0.0004498200000000 ] - [ -0.0000021300000000, -0.0000012300000000, 0.0004498200000000 ] - [ 0.0000021300000000, -0.0000012300000000, 0.0004498200000000 ] - [ 0.0000001900000000, -0.0000001100000000, 0.0000520300000000 ] - [ -0.0000001900000000, -0.0000001100000000, 0.0000520300000000 ] - [ 0.0000000000000000, 0.0000002200000000, 0.0000520300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000469200000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0007538500000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0007538500000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0007538500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007521900000000 ] - [ -0.0000222700000000, -0.0000128600000000, 0.0000286400000000 ] - [ 0.0000222700000000, -0.0000128600000000, 0.0000286400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015006800000000 ] - [ 0.0000000000000000, 0.0000257200000000, 0.0000286400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012082100000000 ] - [ 0.0000000000000000, 0.0000013600000000, 0.0012082200000000 ] - [ -0.0000011800000000, -0.0000006800000000, 0.0012082200000000 ] - [ 0.0000011800000000, -0.0000006800000000, 0.0012082200000000 ] - [ 0.0000103700000000, 0.0000059900000000, 0.0005542200000000 ] - [ -0.0000103700000000, 0.0000059900000000, 0.0005542200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005444300000000 ] - [ 0.0000000000000000, -0.0000119700000000, 0.0005542200000000 ] - [ 0.0000005800000000, 0.0000003300000000, 0.0002631000000000 ] - [ -0.0000005800000000, 0.0000003300000000, 0.0002631000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002633700000000 ] - [ 0.0000000000000000, -0.0000006700000000, 0.0002631000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1021995400000000 ] - [ 0.0000000000000000, 0.0007700200000000, -0.0026149800000000 ] - [ -0.0006668600000000, -0.0003850100000000, -0.0026149800000000 ] - [ 0.0006668600000000, -0.0003850100000000, -0.0026149800000000 ] - [ -0.0020924900000000, 0.0012081000000000, 0.0039781200000000 ] - [ 0.0020924900000000, 0.0012081000000000, 0.0039781200000000 ] - [ 0.0000000000000000, -0.0024162000000000, 0.0039781200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015068900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005112700000000 ] - [ 0.0000000000000000, -0.0000541900000000, -0.0003393700000000 ] - [ 0.0000469300000000, 0.0000271000000000, -0.0003393700000000 ] - [ -0.0000469300000000, 0.0000271000000000, -0.0003393700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000772800000000 ] - [ 0.0000000000000000, -0.0000017600000000, -0.0000772400000000 ] - [ 0.0000015300000000, 0.0000008800000000, -0.0000772400000000 ] - [ -0.0000015300000000, 0.0000008800000000, -0.0000772400000000 ] - [ 0.0000011800000000, 0.0000006800000000, 0.0005563800000000 ] - [ -0.0000011800000000, 0.0000006800000000, 0.0005563800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005468800000000 ] - [ 0.0000000000000000, -0.0000013600000000, 0.0005563800000000 ] - [ 0.0001268400000000, -0.0000732300000000, 0.0005715600000000 ] - [ -0.0001268400000000, -0.0000732300000000, 0.0005715600000000 ] - [ 0.0000000000000000, 0.0001464600000000, 0.0005715600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020437000000000 ] - [ 0.0000007500000000, -0.0000004300000000, 0.0006036200000000 ] - [ -0.0000007500000000, -0.0000004300000000, 0.0006036200000000 ] - [ 0.0000000000000000, 0.0000008600000000, 0.0006036200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006039900000000 ] - [ -0.0000128700000000, 0.0000074300000000, 0.0009272500000000 ] - [ 0.0000128700000000, 0.0000074300000000, 0.0009272500000000 ] - [ 0.0000000000000000, -0.0000148600000000, 0.0009272500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009212900000000 ] - [ -0.0000008900000000, -0.0000005100000000, 0.0002549700000000 ] - [ 0.0000008900000000, -0.0000005100000000, 0.0002549700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002571000000000 ] - [ 0.0000000000000000, 0.0000010300000000, 0.0002549700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005762900000000 ] - [ 0.0000000000000000, -0.0000849000000000, 0.0007535400000000 ] - [ 0.0000735300000000, 0.0000424500000000, 0.0007535400000000 ] - [ -0.0000735300000000, 0.0000424500000000, 0.0007535400000000 ] - [ 0.0039859100000000, 0.0023012700000000, 0.0040215700000000 ] - [ -0.0039859100000000, 0.0023012700000000, 0.0040215700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013893200000000 ] - [ 0.0000000000000000, -0.0046025400000000, 0.0040215700000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0114706900000000, -0.0066226000000000, -0.0103163900000000 ] - [ 0.0114706900000000, -0.0066226000000000, -0.0103163900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029099100000000 ] - [ 0.0000000000000000, 0.0132452100000000, -0.0103163900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007144600000000 ] - [ 0.0000000000000000, -0.0005178700000000, 0.0007749800000000 ] - [ 0.0004484900000000, 0.0002589300000000, 0.0007749800000000 ] - [ -0.0004484900000000, 0.0002589300000000, 0.0007749800000000 ] - [ -0.0000001300000000, -0.0000000700000000, 0.0004342600000000 ] - [ 0.0000001300000000, -0.0000000700000000, 0.0004342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004451200000000 ] - [ 0.0000000000000000, 0.0000001500000000, 0.0004342600000000 ] - [ -0.0000780200000000, 0.0000450400000000, 0.0008469500000000 ] - [ 0.0000780200000000, 0.0000450400000000, 0.0008469500000000 ] - [ 0.0000000000000000, -0.0000900900000000, 0.0008469500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009326400000000 ] - [ 0.0007108300000000, -0.0004104000000000, 0.0011584900000000 ] - [ -0.0007108300000000, -0.0004104000000000, 0.0011584900000000 ] - [ 0.0000000000000000, 0.0008208000000000, 0.0011584900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001778100000000 ] - [ -0.0000022600000000, 0.0000013100000000, 0.0006036200000000 ] - [ 0.0000022600000000, 0.0000013100000000, 0.0006036200000000 ] - [ 0.0000000000000000, -0.0000026200000000, 0.0006036200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006035400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0459123700000000 ] - [ 0.0000000000000000, -0.0008145600000000, -0.0028052200000000 ] - [ 0.0007054300000000, 0.0004072800000000, -0.0028052200000000 ] - [ -0.0007054300000000, 0.0004072800000000, -0.0028052200000000 ] - [ 0.0000543500000000, 0.0000313800000000, 0.0001027800000000 ] - [ -0.0000543500000000, 0.0000313800000000, 0.0001027800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006391600000000 ] - [ 0.0000000000000000, -0.0000627500000000, 0.0001027800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007685500000000 ] - [ 0.0000000000000000, -0.0000034100000000, 0.0007697000000000 ] - [ 0.0000029500000000, 0.0000017000000000, 0.0007697000000000 ] - [ -0.0000029500000000, 0.0000017000000000, 0.0007697000000000 ] - [ 0.0009284600000000, -0.0005360500000000, -0.0000071200000000 ] - [ -0.0009284600000000, -0.0005360500000000, -0.0000071200000000 ] - [ 0.0000000000000000, 0.0010721000000000, -0.0000071200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009208900000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0004188800000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0004188800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004172300000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0004188800000000 ] - [ 0.0000013000000000, 0.0000007500000000, 0.0008711400000000 ] - [ -0.0000013000000000, 0.0000007500000000, 0.0008711400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008700300000000 ] - [ 0.0000000000000000, -0.0000015000000000, 0.0008711400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003123000000000 ] - [ 0.0000000000000000, 0.0000019500000000, -0.0003156800000000 ] - [ -0.0000016900000000, -0.0000009800000000, -0.0003156800000000 ] - [ 0.0000016900000000, -0.0000009800000000, -0.0003156800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001639300000000 ] - [ 0.0000000000000000, 0.0000158000000000, -0.0000828900000000 ] - [ -0.0000136800000000, -0.0000079000000000, -0.0000828900000000 ] - [ 0.0000136800000000, -0.0000079000000000, -0.0000828900000000 ] - [ -0.0000010200000000, 0.0000005900000000, 0.0001554700000000 ] - [ 0.0000010200000000, 0.0000005900000000, 0.0001554700000000 ] - [ 0.0000000000000000, -0.0000011800000000, 0.0001554700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001510800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004920000000000 ] - [ 0.0000000000000000, 0.0000003400000000, 0.0004948800000000 ] - [ -0.0000002900000000, -0.0000001700000000, 0.0004948800000000 ] - [ 0.0000002900000000, -0.0000001700000000, 0.0004948800000000 ] - [ 0.0000009000000000, -0.0000005200000000, 0.0003321100000000 ] - [ -0.0000009000000000, -0.0000005200000000, 0.0003321100000000 ] - [ 0.0000000000000000, 0.0000010400000000, 0.0003321100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003327000000000 ] - [ -0.0000056900000000, -0.0000032900000000, -0.0000949700000000 ] - [ 0.0000056900000000, -0.0000032900000000, -0.0000949700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000955600000000 ] - [ 0.0000000000000000, 0.0000065700000000, -0.0000949700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003893700000000 ] - [ 0.0000000000000000, -0.0000052500000000, -0.0003828700000000 ] - [ 0.0000045500000000, 0.0000026300000000, -0.0003828700000000 ] - [ -0.0000045500000000, 0.0000026300000000, -0.0003828700000000 ] - [ -0.0000019900000000, 0.0000011500000000, -0.0007902800000000 ] - [ 0.0000019900000000, 0.0000011500000000, -0.0007902800000000 ] - [ 0.0000000000000000, -0.0000023000000000, -0.0007902800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007790700000000 ] - [ 0.0000008100000000, -0.0000004700000000, -0.0000846800000000 ] - [ -0.0000008100000000, -0.0000004700000000, -0.0000846800000000 ] - [ 0.0000000000000000, 0.0000009300000000, -0.0000846800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000817300000000 ] - [ 0.0000221800000000, 0.0000128000000000, -0.0000670300000000 ] - [ -0.0000221800000000, 0.0000128000000000, -0.0000670300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015258300000000 ] - [ 0.0000000000000000, -0.0000256100000000, -0.0000670300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003796300000000 ] - [ 0.0000000000000000, -0.0000012900000000, 0.0003788000000000 ] - [ 0.0000011200000000, 0.0000006400000000, 0.0003788000000000 ] - [ -0.0000011200000000, 0.0000006400000000, 0.0003788000000000 ] - [ -0.0000180600000000, -0.0000104300000000, -0.0002983500000000 ] - [ 0.0000180600000000, -0.0000104300000000, -0.0002983500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002873300000000 ] - [ 0.0000000000000000, 0.0000208500000000, -0.0002983500000000 ] - [ -0.0000017000000000, -0.0000009800000000, -0.0005911600000000 ] - [ 0.0000017000000000, -0.0000009800000000, -0.0005911600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005899500000000 ] - [ 0.0000000000000000, 0.0000019600000000, -0.0005911600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0996655400000000 ] - [ 0.0000000000000000, -0.0007656800000000, 0.0030561700000000 ] - [ 0.0006631000000000, 0.0003828400000000, 0.0030561700000000 ] - [ -0.0006631000000000, 0.0003828400000000, 0.0030561700000000 ] - [ 0.0020537300000000, -0.0011857200000000, -0.0043427500000000 ] - [ -0.0020537300000000, -0.0011857200000000, -0.0043427500000000 ] - [ 0.0000000000000000, 0.0023714500000000, -0.0043427500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010755500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011028400000000 ] - [ 0.0000000000000000, 0.0000578700000000, -0.0012628900000000 ] - [ -0.0000501200000000, -0.0000289300000000, -0.0012628900000000 ] - [ 0.0000501200000000, -0.0000289300000000, -0.0012628900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008504200000000 ] - [ 0.0000000000000000, -0.0000018100000000, -0.0008659000000000 ] - [ 0.0000015700000000, 0.0000009100000000, -0.0008659000000000 ] - [ -0.0000015700000000, 0.0000009100000000, -0.0008659000000000 ] - [ 0.0000002300000000, 0.0000001300000000, -0.0002723800000000 ] - [ -0.0000002300000000, 0.0000001300000000, -0.0002723800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002667700000000 ] - [ 0.0000000000000000, -0.0000002600000000, -0.0002723800000000 ] - [ -0.0001323500000000, 0.0000764100000000, 0.0004384400000000 ] - [ 0.0001323500000000, 0.0000764100000000, 0.0004384400000000 ] - [ 0.0000000000000000, -0.0001528200000000, 0.0004384400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010480100000000 ] - [ -0.0000045200000000, 0.0000026100000000, -0.0001903800000000 ] - [ 0.0000045200000000, 0.0000026100000000, -0.0001903800000000 ] - [ 0.0000000000000000, -0.0000052200000000, -0.0001903800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001886000000000 ] - [ 0.0000165600000000, -0.0000095600000000, 0.0001300400000000 ] - [ -0.0000165600000000, -0.0000095600000000, 0.0001300400000000 ] - [ 0.0000000000000000, 0.0000191200000000, 0.0001300400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001213200000000 ] - [ 0.0000107800000000, 0.0000062200000000, -0.0005903800000000 ] - [ -0.0000107800000000, 0.0000062200000000, -0.0005903800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005907200000000 ] - [ 0.0000000000000000, -0.0000124400000000, -0.0005903800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000118400000000 ] - [ 0.0000000000000000, 0.0000960200000000, -0.0001768800000000 ] - [ -0.0000831500000000, -0.0000480100000000, -0.0001768800000000 ] - [ 0.0000831500000000, -0.0000480100000000, -0.0001768800000000 ] - [ -0.0040262000000000, -0.0023245300000000, -0.0042919100000000 ] - [ 0.0040262000000000, -0.0023245300000000, -0.0042919100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011868900000000 ] - [ 0.0000000000000000, 0.0046490500000000, -0.0042919100000000 ]- atom: 105 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006791800000000, 0.0000082300000000, -0.0004064600000000 ] - [ -0.0015622000000000, 0.0000087400000000, -0.0004091600000000 ] - [ -0.0000208100000000, 0.0004141400000000, -0.0006321500000000 ] - [ -0.0000199800000000, -0.0003936400000000, -0.0001819100000000 ] - [ -0.0000145400000000, 0.0000238000000000, 0.0003337500000000 ] - [ -0.0000147500000000, -0.0000051700000000, 0.0003416900000000 ] - [ 0.0000104400000000, 0.0000082900000000, 0.0003375400000000 ] - [ -0.0000454600000000, 0.0000081900000000, 0.0003376200000000 ] - [ 0.0000157300000000, -0.0000090800000000, 0.0000117400000000 ] - [ 0.0000148900000000, -0.0000090300000000, 0.0000115500000000 ] - [ 0.0000152800000000, -0.0000087500000000, 0.0000118300000000 ] - [ 0.0000153500000000, -0.0000092200000000, 0.0000116600000000 ] - [ 0.0000118700000000, -0.0000083600000000, 0.0004526400000000 ] - [ 0.0000189500000000, -0.0000081200000000, 0.0004527600000000 ] - [ 0.0000150200000000, -0.0000107600000000, 0.0004500800000000 ] - [ 0.0000153300000000, -0.0000064400000000, 0.0004557400000000 ] - [ 0.0029646300000000, -0.0000151600000000, 0.0003090500000000 ] - [ -0.0012037000000000, 0.0000082300000000, 0.0003973100000000 ] - [ 0.0000083900000000, 0.0007107400000000, 0.0003306400000000 ] - [ 0.0000086900000000, -0.0006890600000000, 0.0004811200000000 ] - [ -0.0000148600000000, 0.0000097400000000, 0.0001934800000000 ] - [ -0.0000151600000000, 0.0000100000000000, 0.0001929500000000 ] - [ -0.0000152000000000, 0.0000101400000000, 0.0001937700000000 ] - [ -0.0000147500000000, 0.0000099100000000, 0.0001932600000000 ] - [ 0.0304386800000000, -0.0167823700000000, -0.0132279900000000 ] - [ 0.0292104000000000, 0.0158799600000000, 0.0122556600000000 ] - [ 0.0015437400000000, -0.0000904100000000, -0.0001547400000000 ] - [ -0.0004876700000000, 0.0000027300000000, -0.0001617300000000 ] - [ -0.0000111800000000, 0.0000102200000000, -0.0001835600000000 ] - [ -0.0001033800000000, 0.0000095300000000, -0.0001851200000000 ] - [ 0.0002597000000000, -0.0001455400000000, 0.0008834800000000 ] - [ 0.0002589200000000, 0.0001667600000000, -0.0012526800000000 ] - [ 0.0000160000000000, -0.0000089300000000, 0.0003600600000000 ] - [ 0.0000156900000000, -0.0000085100000000, 0.0003601200000000 ] - [ 0.0000154700000000, -0.0000086700000000, 0.0003603300000000 ] - [ 0.0000163800000000, -0.0000088700000000, 0.0003599600000000 ] - [ 0.0000197400000000, 0.0000083800000000, -0.0003260200000000 ] - [ -0.0000479500000000, 0.0000083200000000, -0.0003261100000000 ] - [ -0.0000446600000000, 0.0000102300000000, -0.0002835900000000 ] - [ -0.0000447700000000, 0.0000065400000000, -0.0003676400000000 ] - [ 0.0000153600000000, -0.0000084700000000, 0.0000084200000000 ] - [ 0.0000153200000000, -0.0000081400000000, 0.0000085800000000 ] - [ 0.0000150700000000, -0.0000088400000000, 0.0000088700000000 ] - [ 0.0000156000000000, -0.0000088300000000, 0.0000087100000000 ] - [ -0.0000140300000000, 0.0000081300000000, 0.0004612000000000 ] - [ -0.0000143300000000, 0.0000085900000000, 0.0004610500000000 ] - [ -0.0000146100000000, 0.0000083800000000, 0.0004611600000000 ] - [ -0.0000137600000000, 0.0000082200000000, 0.0004613900000000 ] - [ 0.0000148200000000, -0.0000084200000000, -0.0007295000000000 ] - [ 0.0000145200000000, -0.0000080900000000, -0.0007289200000000 ] - [ 0.0000144000000000, -0.0000077700000000, -0.0007292000000000 ] - [ 0.0000151900000000, -0.0000079800000000, -0.0007296900000000 ] - [ 0.0000139000000000, -0.0000378900000000, -0.0005934100000000 ] - [ 0.0000141400000000, 0.0000207500000000, -0.0004286000000000 ] - [ -0.0000367600000000, -0.0000088700000000, -0.0005111600000000 ] - [ 0.0001284000000000, -0.0000086900000000, -0.0005109300000000 ] - [ 0.0000161100000000, -0.0000085700000000, -0.0002750300000000 ] - [ 0.0000145900000000, -0.0000082500000000, -0.0002745500000000 ] - [ 0.0000151600000000, -0.0000084500000000, -0.0002728300000000 ] - [ 0.0000156600000000, -0.0000094200000000, -0.0002763900000000 ] - [ -0.0000152300000000, 0.0000090300000000, 0.0000639300000000 ] - [ -0.0000155900000000, 0.0000086100000000, 0.0000647000000000 ] - [ -0.0000150100000000, 0.0000084900000000, 0.0000645000000000 ] - [ -0.0000157600000000, 0.0000082800000000, 0.0000642800000000 ] - [ 0.0000167000000000, -0.0000092200000000, -0.0000782700000000 ] - [ 0.0000162700000000, -0.0000088800000000, -0.0000784300000000 ] - [ 0.0000159800000000, -0.0000092400000000, -0.0000780200000000 ] - [ 0.0000165200000000, -0.0000092500000000, -0.0000783000000000 ] - [ 0.0000071400000000, -0.0000089000000000, -0.0004998000000000 ] - [ 0.0000223800000000, -0.0000092800000000, -0.0005001500000000 ] - [ 0.0000169900000000, -0.0000146700000000, -0.0005100100000000 ] - [ 0.0000164000000000, -0.0000037700000000, -0.0004898700000000 ] - [ 0.0000119600000000, -0.0000067800000000, 0.0000241400000000 ] - [ -0.0000019000000000, -0.0000111600000000, 0.0000259600000000 ] - [ 0.0000087700000000, 0.0000056800000000, 0.0000224300000000 ] - [ 0.0000011800000000, -0.0000023500000000, 0.0000330800000000 ] - [ 0.0000029700000000, 0.0000072400000000, -0.0003799100000000 ] - [ -0.0000127600000000, 0.0000064400000000, -0.0003828500000000 ] - [ -0.0000053300000000, 0.0000035200000000, -0.0003860600000000 ] - [ -0.0000068100000000, -0.0000042300000000, -0.0003739900000000 ] - [ 0.0000001900000000, 0.0000001600000000, 0.0003211500000000 ] - [ -0.0000118100000000, 0.0000041300000000, 0.0003261500000000 ] - [ -0.0000091800000000, 0.0000069000000000, 0.0003207100000000 ] - [ -0.0000024200000000, -0.0000000900000000, 0.0003171000000000 ] - [ -0.0004500800000000, -0.0000053300000000, -0.0000105000000000 ] - [ 0.0000271800000000, -0.0000033000000000, 0.0000010600000000 ] - [ 0.0022000700000000, -0.0015288700000000, -0.0039905400000000 ] - [ 0.0022020800000000, 0.0015324400000000, 0.0039994900000000 ] - [ -0.0000031200000000, 0.0000071400000000, 0.0007721400000000 ] - [ -0.0000092600000000, 0.0000084900000000, 0.0007741700000000 ] - [ -0.0000073400000000, 0.0000008600000000, 0.0007758700000000 ] - [ -0.0000051300000000, -0.0000027100000000, 0.0007754700000000 ] - [ -0.0000384600000000, 0.0000096100000000, 0.0001115200000000 ] - [ 0.0000193400000000, 0.0000013400000000, 0.0001094900000000 ] - [ 0.0000096100000000, -0.0000237600000000, 0.0001504900000000 ] - [ -0.0000045900000000, 0.0000235900000000, 0.0000797800000000 ] - [ 0.0000023100000000, -0.0000026400000000, -0.0001647800000000 ] - [ 0.0000082200000000, -0.0000011200000000, -0.0001696800000000 ] - [ 0.0000039800000000, -0.0000067100000000, -0.0001714400000000 ] - [ 0.0000065800000000, -0.0000032300000000, -0.0001654200000000 ] - [ 0.0022055500000000, -0.0015412000000000, -0.0018578500000000 ] - [ 0.0022009500000000, 0.0015235700000000, 0.0022814000000000 ] - [ -0.0004508700000000, -0.0000081900000000, 0.0002218900000000 ] - [ 0.0000242400000000, -0.0000020200000000, 0.0002191200000000 ] - [ -0.0962542500000000, 0.0010472800000000, 0.0005381600000000 ] - [ 0.0166294400000000, 0.0000003300000000, -0.0002056300000000 ] - [ 0.0044207900000000, -0.0070556800000000, -0.0008735200000000 ] - [ 0.0044125300000000, 0.0070465600000000, 0.0004580500000000 ] - [ 0.0000088900000000, -0.0000621200000000, -0.0006703500000000 ] - [ -0.0000016400000000, 0.0000568200000000, -0.0009317800000000 ] - [ -0.0000993700000000, -0.0000011000000000, -0.0007999100000000 ] - [ 0.0004457400000000, -0.0000068100000000, -0.0008071300000000 ] - [ -0.0000083100000000, 0.0000049700000000, -0.0004335500000000 ] - [ -0.0000040900000000, 0.0000019200000000, -0.0004419300000000 ] - [ -0.0000036400000000, 0.0000023300000000, -0.0004437600000000 ] - [ -0.0000090200000000, 0.0000047400000000, -0.0004362900000000 ] - [ -0.0000071900000000, 0.0000017800000000, 0.0001439100000000 ] - [ -0.0000045200000000, 0.0000023600000000, 0.0001448800000000 ] - [ -0.0000063800000000, 0.0000033000000000, 0.0001435900000000 ] - [ -0.0000053100000000, 0.0000049000000000, 0.0001412200000000 ] - [ -0.0000033700000000, 0.0000001800000000, 0.0004938500000000 ] - [ 0.0000129600000000, -0.0000000100000000, 0.0005023300000000 ] - [ 0.0000200600000000, -0.0000038000000000, 0.0005430600000000 ] - [ 0.0000196600000000, -0.0000119100000000, 0.0004441400000000 ] - [ 0.0000057700000000, -0.0000065900000000, 0.0002276400000000 ] - [ 0.0000062400000000, 0.0000015500000000, 0.0002267900000000 ] - [ -0.0000010600000000, -0.0000044500000000, 0.0002234300000000 ] - [ 0.0000129500000000, -0.0000041400000000, 0.0002266900000000 ] - [ -0.0000073500000000, 0.0000019200000000, 0.0005674400000000 ] - [ -0.0000044500000000, 0.0000011100000000, 0.0005637200000000 ] - [ -0.0000050200000000, 0.0000041600000000, 0.0005593600000000 ] - [ -0.0000064100000000, 0.0000056000000000, 0.0005599200000000 ] - [ -0.0000010300000000, 0.0000022700000000, -0.0001748500000000 ] - [ -0.0000109400000000, 0.0000088700000000, -0.0001643500000000 ] - [ -0.0000118000000000, 0.0000035100000000, -0.0001749400000000 ] - [ -0.0000001600000000, -0.0000021900000000, -0.0001728000000000 ] - [ -0.0000093300000000, 0.0000053300000000, 0.0002760100000000 ] - [ -0.0000033700000000, 0.0000116300000000, 0.0002749800000000 ] - [ -0.0000117700000000, -0.0000034500000000, 0.0002809700000000 ] - [ 0.0000017700000000, -0.0000001000000000, 0.0002818800000000 ] - [ -0.0000830300000000, -0.0000038200000000, -0.0001087700000000 ] - [ 0.0004234500000000, 0.0000032600000000, -0.0001132700000000 ] - [ -0.0000027900000000, -0.0000567600000000, -0.0000854300000000 ] - [ 0.0000102400000000, 0.0000434700000000, -0.0001380100000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0010686500000000, -0.0007290800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001832000000000 ] - [ -0.0009254700000000, 0.0005343200000000, -0.0007290800000000 ] - [ 0.0009254700000000, 0.0005343200000000, -0.0007290800000000 ] - [ -0.0000567700000000, 0.0000327800000000, -0.0000791300000000 ] - [ 0.0000567700000000, 0.0000327800000000, -0.0000791300000000 ] - [ 0.0000000000000000, -0.0000655500000000, -0.0000791300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000558100000000 ] - [ 0.0000000000000000, 0.0000005300000000, -0.0004160500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004126600000000 ] - [ 0.0000004600000000, -0.0000002600000000, -0.0004160500000000 ] - [ -0.0000004600000000, -0.0000002600000000, -0.0004160500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000463800000000 ] - [ 0.0000000000000000, -0.0000203900000000, 0.0000328000000000 ] - [ 0.0000176600000000, 0.0000102000000000, 0.0000328000000000 ] - [ -0.0000176600000000, 0.0000102000000000, 0.0000328000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0486776100000000 ] - [ 0.0000000000000000, 0.0008103300000000, 0.0030361900000000 ] - [ -0.0007017700000000, -0.0004051700000000, 0.0030361900000000 ] - [ 0.0007017700000000, -0.0004051700000000, 0.0030361900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002260700000000 ] - [ 0.0000000000000000, -0.0000003800000000, -0.0002275800000000 ] - [ 0.0000003300000000, 0.0000001900000000, -0.0002275800000000 ] - [ -0.0000003300000000, 0.0000001900000000, -0.0002275800000000 ] - [ -0.0113186300000000, 0.0065348100000000, 0.0098693300000000 ] - [ 0.0113186300000000, 0.0065348100000000, 0.0098693300000000 ] - [ 0.0000000000000000, -0.0130696200000000, 0.0098693300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023198600000000 ] - [ 0.0000000000000000, -0.0008302200000000, -0.0009310100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004033800000000 ] - [ -0.0007190000000000, 0.0004151100000000, -0.0009310100000000 ] - [ 0.0007190000000000, 0.0004151100000000, -0.0009310100000000 ] - [ -0.0000020900000000, 0.0000012100000000, -0.0000490600000000 ] - [ 0.0000020900000000, 0.0000012100000000, -0.0000490600000000 ] - [ 0.0000000000000000, -0.0000024100000000, -0.0000490600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000493300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006986200000000 ] - [ 0.0000000000000000, 0.0005186500000000, -0.0007579600000000 ] - [ -0.0004491600000000, -0.0002593300000000, -0.0007579600000000 ] - [ 0.0004491600000000, -0.0002593300000000, -0.0007579600000000 ] - [ 0.0000000000000000, 0.0000001700000000, -0.0003976200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003981700000000 ] - [ 0.0000001500000000, -0.0000000800000000, -0.0003976200000000 ] - [ -0.0000001500000000, -0.0000000800000000, -0.0003976200000000 ] - [ 0.0000000000000000, -0.0000008000000000, 0.0000480200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000467400000000 ] - [ -0.0000007000000000, 0.0000004000000000, 0.0000480200000000 ] - [ 0.0000007000000000, 0.0000004000000000, 0.0000480200000000 ] - [ 0.0000010400000000, -0.0000006000000000, -0.0011474800000000 ] - [ -0.0000010400000000, -0.0000006000000000, -0.0011474800000000 ] - [ 0.0000000000000000, 0.0000012100000000, -0.0011474800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011451600000000 ] - [ -0.0000061100000000, 0.0000035300000000, -0.0007839700000000 ] - [ 0.0000061100000000, 0.0000035300000000, -0.0007839700000000 ] - [ 0.0000000000000000, -0.0000070500000000, -0.0007839700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013317000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007148300000000 ] - [ 0.0000000000000000, -0.0000015300000000, -0.0006933600000000 ] - [ 0.0000013200000000, 0.0000007600000000, -0.0006933600000000 ] - [ -0.0000013200000000, 0.0000007600000000, -0.0006933600000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0003467500000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0003467500000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0003467500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003475300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004784200000000 ] - [ 0.0000000000000000, 0.0000016500000000, -0.0004802900000000 ] - [ -0.0000014300000000, -0.0000008300000000, -0.0004802900000000 ] - [ 0.0000014300000000, -0.0000008300000000, -0.0004802900000000 ] - [ 0.0000000000000000, 0.0000267500000000, -0.0009168800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008728600000000 ] - [ 0.0000231600000000, -0.0000133700000000, -0.0009168800000000 ] - [ -0.0000231600000000, -0.0000133700000000, -0.0009168800000000 ] - [ -0.0000003600000000, 0.0000002100000000, 0.0004466300000000 ] - [ 0.0000003600000000, 0.0000002100000000, 0.0004466300000000 ] - [ 0.0000000000000000, -0.0000004100000000, 0.0004466300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004473600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000484600000000 ] - [ 0.0000000000000000, 0.0000004200000000, 0.0000005700000000 ] - [ -0.0000003600000000, -0.0000002100000000, 0.0000005700000000 ] - [ 0.0000003600000000, -0.0000002100000000, 0.0000005700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007049200000000 ] - [ 0.0000000000000000, 0.0000003400000000, 0.0007084400000000 ] - [ -0.0000003000000000, -0.0000001700000000, 0.0007084400000000 ] - [ 0.0000003000000000, -0.0000001700000000, 0.0007084400000000 ] - [ 0.0000000000000000, -0.0024205500000000, 0.0041909300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012983300000000 ] - [ -0.0020962500000000, 0.0012102700000000, 0.0041909300000000 ] - [ 0.0020962500000000, 0.0012102700000000, 0.0041909300000000 ] - [ 0.0000059000000000, -0.0000034000000000, 0.0011204200000000 ] - [ -0.0000059000000000, -0.0000034000000000, 0.0011204200000000 ] - [ 0.0000000000000000, 0.0000068100000000, 0.0011204200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011283500000000 ] - [ 0.0000000000000000, 0.0000639000000000, 0.0005141800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004257800000000 ] - [ 0.0000553400000000, -0.0000319500000000, 0.0005141800000000 ] - [ -0.0000553400000000, -0.0000319500000000, 0.0005141800000000 ] - [ 0.0000000000000000, -0.0000030300000000, 0.0002864400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002848100000000 ] - [ -0.0000026200000000, 0.0000015200000000, 0.0002864400000000 ] - [ 0.0000026200000000, 0.0000015200000000, 0.0002864400000000 ] - [ -0.0039814900000000, 0.0022987100000000, 0.0043005700000000 ] - [ 0.0039814900000000, 0.0022987100000000, 0.0043005700000000 ] - [ 0.0000000000000000, -0.0045974300000000, 0.0043005700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010997900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1025430300000000 ] - [ 0.0000000000000000, 0.0007815600000000, -0.0029804700000000 ] - [ -0.0006768500000000, -0.0003907800000000, -0.0029804700000000 ] - [ 0.0006768500000000, -0.0003907800000000, -0.0029804700000000 ] - [ 0.0000277800000000, -0.0000160400000000, -0.0007010400000000 ] - [ -0.0000277800000000, -0.0000160400000000, -0.0007010400000000 ] - [ 0.0000000000000000, 0.0000320800000000, -0.0007010400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007688700000000 ] - [ 0.0000008800000000, -0.0000005100000000, -0.0000055100000000 ] - [ -0.0000008800000000, -0.0000005100000000, -0.0000055100000000 ] - [ 0.0000000000000000, 0.0000010100000000, -0.0000055100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000152100000000 ] - [ 0.0000000000000000, -0.0000106200000000, 0.0005653300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005741200000000 ] - [ -0.0000091900000000, 0.0000053100000000, 0.0005653300000000 ] - [ 0.0000091900000000, 0.0000053100000000, 0.0005653300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007596000000000 ] - [ 0.0000000000000000, -0.0001031000000000, 0.0009420600000000 ] - [ 0.0000892800000000, 0.0000515500000000, 0.0009420600000000 ] - [ -0.0000892800000000, 0.0000515500000000, 0.0009420600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006026800000000 ] - [ 0.0000000000000000, -0.0000001700000000, 0.0006049900000000 ] - [ 0.0000001500000000, 0.0000000900000000, 0.0006049900000000 ] - [ -0.0000001500000000, 0.0000000900000000, 0.0006049900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010107400000000 ] - [ 0.0000000000000000, -0.0000006400000000, 0.0010295400000000 ] - [ 0.0000005500000000, 0.0000003200000000, 0.0010295400000000 ] - [ -0.0000005500000000, 0.0000003200000000, 0.0010295400000000 ] - [ 0.0000000000000000, 0.0000048800000000, 0.0002724000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002733600000000 ] - [ 0.0000042200000000, -0.0000024400000000, 0.0002724000000000 ] - [ -0.0000042200000000, -0.0000024400000000, 0.0002724000000000 ] - [ 0.0000229000000000, -0.0000132200000000, 0.0007114400000000 ] - [ -0.0000229000000000, -0.0000132200000000, 0.0007114400000000 ] - [ 0.0000000000000000, 0.0000264400000000, 0.0007114400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007584400000000 ] - [ 0.0000000000000000, 0.0001332200000000, -0.0000884700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013771000000000 ] - [ 0.0001153700000000, -0.0000666100000000, -0.0000884700000000 ] - [ -0.0001153700000000, -0.0000666100000000, -0.0000884700000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0010727400000000, -0.0000856100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010065200000000 ] - [ 0.0009290200000000, -0.0005363700000000, -0.0000856100000000 ] - [ -0.0009290200000000, -0.0005363700000000, -0.0000856100000000 ] - [ 0.0000584800000000, -0.0000337600000000, 0.0007584100000000 ] - [ -0.0000584800000000, -0.0000337600000000, 0.0007584100000000 ] - [ 0.0000000000000000, 0.0000675200000000, 0.0007584100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007340600000000 ] - [ 0.0000000000000000, -0.0000012000000000, 0.0004237700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004219900000000 ] - [ -0.0000010400000000, 0.0000006000000000, 0.0004237700000000 ] - [ 0.0000010400000000, 0.0000006000000000, 0.0004237700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008615200000000 ] - [ 0.0000000000000000, 0.0000212200000000, 0.0008727000000000 ] - [ -0.0000183800000000, -0.0000106100000000, 0.0008727000000000 ] - [ 0.0000183800000000, -0.0000106100000000, 0.0008727000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0453215000000000 ] - [ 0.0000000000000000, -0.0008142200000000, -0.0022356100000000 ] - [ 0.0007051400000000, 0.0004071100000000, -0.0022356100000000 ] - [ -0.0007051400000000, 0.0004071100000000, -0.0022356100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006113300000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0006119600000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0006119600000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0006119600000000 ] - [ 0.0114711500000000, -0.0066228700000000, -0.0100703800000000 ] - [ -0.0114711500000000, -0.0066228700000000, -0.0100703800000000 ] - [ 0.0000000000000000, 0.0132457400000000, -0.0100703800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026609100000000 ] - [ 0.0000000000000000, 0.0008251000000000, 0.0005573200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007758100000000 ] - [ 0.0007145600000000, -0.0004125500000000, 0.0005573200000000 ] - [ -0.0007145600000000, -0.0004125500000000, 0.0005573200000000 ] - [ 0.0000006200000000, -0.0000003600000000, 0.0007744700000000 ] - [ -0.0000006200000000, -0.0000003600000000, 0.0007744700000000 ] - [ 0.0000000000000000, 0.0000007100000000, 0.0007744700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007742800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000552800000000 ] - [ 0.0000000000000000, -0.0005239900000000, 0.0001137400000000 ] - [ 0.0004537900000000, 0.0002619900000000, 0.0001137400000000 ] - [ -0.0004537900000000, 0.0002619900000000, 0.0001137400000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0004221000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004222400000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0004221000000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0004221000000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0008743800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008752100000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0008743800000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0008743800000000 ] - [ -0.0000007900000000, 0.0000004600000000, -0.0003122200000000 ] - [ 0.0000007900000000, 0.0000004600000000, -0.0003122200000000 ] - [ 0.0000000000000000, -0.0000009200000000, -0.0003122200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003147000000000 ] - [ 0.0000064100000000, -0.0000037000000000, -0.0002285200000000 ] - [ -0.0000064100000000, -0.0000037000000000, -0.0002285200000000 ] - [ 0.0000000000000000, 0.0000074100000000, -0.0002285200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003176100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001528700000000 ] - [ 0.0000000000000000, 0.0000021800000000, 0.0001326400000000 ] - [ -0.0000018900000000, -0.0000010900000000, 0.0001326400000000 ] - [ 0.0000018900000000, -0.0000010900000000, 0.0001326400000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0004754500000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0004754500000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0004754500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004754500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003313500000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0003331600000000 ] - [ 0.0000001100000000, 0.0000000600000000, 0.0003331600000000 ] - [ -0.0000001100000000, 0.0000000600000000, 0.0003331600000000 ] - [ 0.0000000000000000, -0.0000264000000000, -0.0000740000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001192300000000 ] - [ -0.0000228600000000, 0.0000132000000000, -0.0000740000000000 ] - [ 0.0000228600000000, 0.0000132000000000, -0.0000740000000000 ] - [ 0.0000003600000000, -0.0000002100000000, -0.0003840500000000 ] - [ -0.0000003600000000, -0.0000002100000000, -0.0003840500000000 ] - [ 0.0000000000000000, 0.0000004100000000, -0.0003840500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003823800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008227800000000 ] - [ 0.0000000000000000, -0.0000005800000000, -0.0007762100000000 ] - [ 0.0000005000000000, 0.0000002900000000, -0.0007762100000000 ] - [ -0.0000005000000000, 0.0000002900000000, -0.0007762100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000924700000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0000905100000000 ] - [ 0.0000003100000000, 0.0000001800000000, -0.0000905100000000 ] - [ -0.0000003100000000, 0.0000001800000000, -0.0000905100000000 ] - [ 0.0000000000000000, 0.0023530200000000, -0.0041317800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012765000000000 ] - [ 0.0020377800000000, -0.0011765100000000, -0.0041317800000000 ] - [ -0.0020377800000000, -0.0011765100000000, -0.0041317800000000 ] - [ 0.0000015600000000, -0.0000009000000000, 0.0003652400000000 ] - [ -0.0000015600000000, -0.0000009000000000, 0.0003652400000000 ] - [ 0.0000000000000000, 0.0000018000000000, 0.0003652400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003658400000000 ] - [ 0.0000000000000000, -0.0000630700000000, -0.0003196600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002324700000000 ] - [ -0.0000546200000000, 0.0000315400000000, -0.0003196600000000 ] - [ 0.0000546200000000, 0.0000315400000000, -0.0003196600000000 ] - [ 0.0000000000000000, 0.0000002700000000, -0.0005777400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005771700000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0005777400000000 ] - [ -0.0000002400000000, -0.0000001400000000, -0.0005777400000000 ] - [ 0.0040251300000000, -0.0023239100000000, -0.0039698500000000 ] - [ -0.0040251300000000, -0.0023239100000000, -0.0039698500000000 ] - [ 0.0000000000000000, 0.0046478200000000, -0.0039698500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015069600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0992530300000000 ] - [ 0.0000000000000000, -0.0007645500000000, 0.0026308300000000 ] - [ 0.0006621200000000, 0.0003822700000000, 0.0026308300000000 ] - [ -0.0006621200000000, 0.0003822700000000, 0.0026308300000000 ] - [ -0.0000335400000000, 0.0000193700000000, -0.0008652900000000 ] - [ 0.0000335400000000, 0.0000193700000000, -0.0008652900000000 ] - [ 0.0000000000000000, -0.0000387300000000, -0.0008652900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023317100000000 ] - [ -0.0000021400000000, 0.0000012400000000, -0.0008690700000000 ] - [ 0.0000021400000000, 0.0000012400000000, -0.0008690700000000 ] - [ 0.0000000000000000, -0.0000024700000000, -0.0008690700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008623200000000 ] - [ 0.0000000000000000, -0.0000008900000000, -0.0002652200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002657700000000 ] - [ -0.0000007700000000, 0.0000004400000000, -0.0002652200000000 ] - [ 0.0000007700000000, 0.0000004400000000, -0.0002652200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002085500000000 ] - [ 0.0000000000000000, 0.0001056200000000, 0.0000395500000000 ] - [ -0.0000914700000000, -0.0000528100000000, 0.0000395500000000 ] - [ 0.0000914700000000, -0.0000528100000000, 0.0000395500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001988900000000 ] - [ 0.0000000000000000, 0.0000016500000000, -0.0001994000000000 ] - [ -0.0000014300000000, -0.0000008200000000, -0.0001994000000000 ] - [ 0.0000014300000000, -0.0000008200000000, -0.0001994000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001396100000000 ] - [ 0.0000000000000000, -0.0000057000000000, 0.0001338900000000 ] - [ 0.0000049400000000, 0.0000028500000000, 0.0001338900000000 ] - [ -0.0000049400000000, 0.0000028500000000, 0.0001338900000000 ] - [ 0.0000000000000000, -0.0000003100000000, -0.0005834300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005848800000000 ] - [ -0.0000002700000000, 0.0000001500000000, -0.0005834300000000 ] - [ 0.0000002700000000, 0.0000001500000000, -0.0005834300000000 ] - [ -0.0000095000000000, 0.0000054800000000, -0.0001161200000000 ] - [ 0.0000095000000000, 0.0000054800000000, -0.0001161200000000 ] - [ 0.0000000000000000, -0.0000109700000000, -0.0001161200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001681400000000 ] - [ 0.0000000000000000, -0.0001493400000000, -0.0001712600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016470700000000 ] - [ -0.0001293300000000, 0.0000746700000000, -0.0001712600000000 ] - [ 0.0001293300000000, 0.0000746700000000, -0.0001712600000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000148100000000, -0.0000065600000000, -0.0004058800000000 ] - [ -0.0000139800000000, 0.0000259400000000, -0.0004137700000000 ] - [ -0.0000483800000000, 0.0000087500000000, -0.0004113400000000 ] - [ 0.0000137300000000, 0.0000089900000000, -0.0004095200000000 ] - [ -0.0000156600000000, 0.0000086900000000, 0.0003398000000000 ] - [ -0.0000134000000000, 0.0000090300000000, 0.0003380900000000 ] - [ -0.0000150200000000, 0.0000079800000000, 0.0003385500000000 ] - [ -0.0000143800000000, 0.0000093500000000, 0.0003398300000000 ] - [ 0.0000128400000000, -0.0000082900000000, 0.0000244600000000 ] - [ 0.0000177600000000, -0.0000086500000000, 0.0000250000000000 ] - [ 0.0000154600000000, -0.0000111100000000, 0.0000251600000000 ] - [ 0.0000152300000000, -0.0000080700000000, 0.0000235800000000 ] - [ 0.0000130700000000, -0.0000081900000000, 0.0004471300000000 ] - [ 0.0000171900000000, -0.0000098800000000, 0.0004466100000000 ] - [ 0.0000163000000000, -0.0000089400000000, 0.0004473800000000 ] - [ 0.0000145200000000, -0.0000067800000000, 0.0004474500000000 ] - [ -0.0000200300000000, 0.0004268600000000, 0.0001921400000000 ] - [ -0.0000168400000000, -0.0004043400000000, 0.0006374200000000 ] - [ 0.0007016500000000, 0.0000058600000000, 0.0004153400000000 ] - [ -0.0015980800000000, 0.0000073800000000, 0.0004132900000000 ] - [ -0.0000152600000000, 0.0000093900000000, 0.0001921400000000 ] - [ -0.0000147000000000, 0.0000103600000000, 0.0001914700000000 ] - [ -0.0000158400000000, 0.0000096400000000, 0.0001907300000000 ] - [ -0.0000140400000000, 0.0000102800000000, 0.0001915000000000 ] - [ 0.0000231800000000, 0.0000092500000000, -0.0001613300000000 ] - [ -0.0000533700000000, 0.0000086500000000, -0.0001596000000000 ] - [ -0.0000455700000000, 0.0000139900000000, -0.0001182100000000 ] - [ -0.0000466400000000, 0.0000060100000000, -0.0002022200000000 ] - [ 0.0288902900000000, 0.0158407600000000, 0.0123820500000000 ] - [ 0.0301231400000000, -0.0167462400000000, -0.0134070800000000 ] - [ -0.0004511600000000, 0.0000041900000000, -0.0001881400000000 ] - [ 0.0012916800000000, -0.0000916600000000, -0.0001817200000000 ] - [ 0.0000165400000000, -0.0000072400000000, 0.0003584700000000 ] - [ 0.0000150400000000, -0.0000096000000000, 0.0003603600000000 ] - [ 0.0000180500000000, -0.0000085800000000, 0.0003591500000000 ] - [ 0.0000136900000000, -0.0000096100000000, 0.0003595300000000 ] - [ -0.0000154800000000, 0.0000062700000000, -0.0003341100000000 ] - [ -0.0000147800000000, 0.0000113100000000, -0.0003313300000000 ] - [ -0.0000193300000000, 0.0000078000000000, -0.0003330000000000 ] - [ -0.0000102800000000, 0.0000081200000000, -0.0003332700000000 ] - [ 0.0000154800000000, -0.0000087300000000, 0.0000114700000000 ] - [ 0.0000150400000000, -0.0000088100000000, 0.0000115100000000 ] - [ 0.0000155400000000, -0.0000080800000000, 0.0000117400000000 ] - [ 0.0000151400000000, -0.0000085800000000, 0.0000119500000000 ] - [ -0.0000142000000000, 0.0000091400000000, 0.0004573400000000 ] - [ -0.0000137300000000, 0.0000073900000000, 0.0004637000000000 ] - [ -0.0000121100000000, 0.0000082700000000, 0.0004608400000000 ] - [ -0.0000156800000000, 0.0000085000000000, 0.0004601100000000 ] - [ 0.0000105300000000, -0.0000064100000000, -0.0007325100000000 ] - [ 0.0000191100000000, -0.0000086100000000, -0.0007322600000000 ] - [ 0.0000183600000000, -0.0000100500000000, -0.0007056800000000 ] - [ 0.0000150900000000, -0.0000072300000000, -0.0007591400000000 ] - [ 0.0036909400000000, -0.0000261200000000, -0.0006083500000000 ] - [ -0.0010486300000000, -0.0000098100000000, -0.0005178600000000 ] - [ 0.0000250300000000, 0.0006155300000000, 0.0000447800000000 ] - [ 0.0000308700000000, -0.0006278900000000, -0.0010659200000000 ] - [ 0.0000164100000000, -0.0000397600000000, -0.0002216900000000 ] - [ 0.0000115500000000, 0.0000236900000000, -0.0003101200000000 ] - [ -0.0000408500000000, -0.0000079400000000, -0.0002672700000000 ] - [ 0.0001118300000000, -0.0000109000000000, -0.0002656100000000 ] - [ -0.0000143600000000, 0.0000077700000000, 0.0000678600000000 ] - [ -0.0000159300000000, 0.0000076600000000, 0.0000677600000000 ] - [ -0.0000153200000000, 0.0000099400000000, 0.0000673300000000 ] - [ -0.0000152600000000, 0.0000092300000000, 0.0000684400000000 ] - [ 0.0000170900000000, -0.0000081900000000, -0.0000875900000000 ] - [ 0.0000157000000000, -0.0000089600000000, -0.0000866300000000 ] - [ 0.0000168700000000, -0.0000093100000000, -0.0000882300000000 ] - [ 0.0000156100000000, -0.0000099400000000, -0.0000867300000000 ] - [ 0.0002363300000000, 0.0001603100000000, 0.0004001600000000 ] - [ 0.0002346400000000, -0.0001810000000000, -0.0014181100000000 ] - [ -0.0000266700000000, -0.0000080000000000, -0.0005087200000000 ] - [ -0.0000603100000000, -0.0000107200000000, -0.0005018300000000 ] - [ 0.0000036500000000, -0.0000022900000000, 0.0000298900000000 ] - [ 0.0000059900000000, -0.0000031500000000, 0.0000311900000000 ] - [ 0.0000059800000000, -0.0000052400000000, 0.0000318400000000 ] - [ 0.0000046700000000, -0.0000040700000000, 0.0000289600000000 ] - [ -0.0000057300000000, -0.0000402800000000, -0.0004464900000000 ] - [ -0.0000106300000000, 0.0000491000000000, -0.0003138400000000 ] - [ -0.0000859000000000, 0.0000037000000000, -0.0003809400000000 ] - [ 0.0003626100000000, -0.0000005400000000, -0.0003803600000000 ] - [ -0.0000061100000000, 0.0000044000000000, 0.0003327000000000 ] - [ -0.0000055300000000, 0.0000030700000000, 0.0003323100000000 ] - [ -0.0000048100000000, 0.0000014600000000, 0.0003329900000000 ] - [ -0.0000066600000000, 0.0000022100000000, 0.0003328100000000 ] - [ 0.0022483600000000, 0.0015094300000000, 0.0020918000000000 ] - [ 0.0022579200000000, -0.0015332600000000, -0.0021036100000000 ] - [ -0.0000065200000000, 0.0000000000000000, -0.0000007500000000 ] - [ -0.0003813000000000, -0.0000009500000000, 0.0000024900000000 ] - [ -0.0000048100000000, 0.0000048900000000, 0.0007655900000000 ] - [ -0.0000077900000000, 0.0000033300000000, 0.0007712800000000 ] - [ -0.0000050600000000, 0.0000034400000000, 0.0007673100000000 ] - [ -0.0000072600000000, 0.0000019600000000, 0.0007699100000000 ] - [ 0.0017089200000000, 0.0014468000000000, -0.0032878300000000 ] - [ 0.0017153000000000, -0.0014556400000000, 0.0035439900000000 ] - [ 0.0000595000000000, 0.0000046300000000, 0.0001209900000000 ] - [ -0.0008009800000000, -0.0000027100000000, 0.0001020300000000 ] - [ 0.0000055200000000, -0.0000040300000000, -0.0001610600000000 ] - [ 0.0000053600000000, -0.0000039200000000, -0.0001582100000000 ] - [ 0.0000055400000000, -0.0000025500000000, -0.0001588700000000 ] - [ 0.0000055300000000, -0.0000032300000000, -0.0001592200000000 ] - [ 0.0000002800000000, 0.0000016300000000, 0.0002013200000000 ] - [ 0.0000094100000000, -0.0000076900000000, 0.0002091200000000 ] - [ 0.0000281800000000, 0.0000025500000000, 0.0002533300000000 ] - [ 0.0000129000000000, -0.0000100200000000, 0.0001545300000000 ] - [ -0.0000004000000000, -0.0000618300000000, -0.0001694600000000 ] - [ 0.0000093600000000, 0.0000480200000000, -0.0002287300000000 ] - [ -0.0000912200000000, -0.0000035900000000, -0.0001948100000000 ] - [ 0.0004383000000000, 0.0000017700000000, -0.0001981500000000 ] - [ -0.0948803800000000, 0.0010713600000000, -0.0000400100000000 ] - [ 0.0166293700000000, -0.0000026600000000, -0.0007982100000000 ] - [ 0.0044147300000000, -0.0070566600000000, -0.0015040000000000 ] - [ 0.0044016200000000, 0.0070540700000000, -0.0000975800000000 ] - [ -0.0000077800000000, 0.0000078100000000, -0.0004541800000000 ] - [ -0.0000072900000000, 0.0000026800000000, -0.0004520700000000 ] - [ 0.0000105000000000, 0.0000097100000000, -0.0005255400000000 ] - [ 0.0000020500000000, -0.0000062600000000, -0.0003810300000000 ] - [ -0.0000128900000000, 0.0000009700000000, 0.0001440900000000 ] - [ 0.0000010800000000, 0.0000042800000000, 0.0001465300000000 ] - [ -0.0000088000000000, -0.0000006500000000, 0.0001432100000000 ] - [ -0.0000027100000000, 0.0000078700000000, 0.0001434200000000 ] - [ 0.0000075300000000, -0.0000049800000000, 0.0004987400000000 ] - [ 0.0000035600000000, -0.0000040900000000, 0.0005038600000000 ] - [ 0.0000051600000000, -0.0000021100000000, 0.0005018400000000 ] - [ 0.0000058800000000, -0.0000043400000000, 0.0005033900000000 ] - [ 0.0000054200000000, -0.0000043000000000, 0.0002116100000000 ] - [ 0.0000066800000000, -0.0000035400000000, 0.0002113300000000 ] - [ 0.0000053500000000, -0.0000036700000000, 0.0002128400000000 ] - [ 0.0000067500000000, -0.0000026400000000, 0.0002105700000000 ] - [ -0.0000086700000000, 0.0000029400000000, 0.0005575700000000 ] - [ -0.0000031000000000, 0.0000002800000000, 0.0005564100000000 ] - [ -0.0000032400000000, 0.0000034800000000, 0.0005603200000000 ] - [ -0.0000083000000000, 0.0000062900000000, 0.0005573100000000 ] - [ -0.0000081200000000, 0.0000071900000000, -0.0001620400000000 ] - [ -0.0000040600000000, -0.0000009900000000, -0.0001779300000000 ] - [ 0.0000040200000000, 0.0000024500000000, -0.0001696200000000 ] - [ -0.0000132800000000, 0.0000043900000000, -0.0001706000000000 ] - [ -0.0000057000000000, 0.0000001100000000, 0.0002892600000000 ] - [ -0.0000065000000000, 0.0000007800000000, 0.0002856200000000 ] - [ -0.0000067800000000, 0.0000061800000000, 0.0002852300000000 ] - [ -0.0000062900000000, 0.0000068100000000, 0.0002865500000000 ] - [ 0.0000068600000000, -0.0000021700000000, -0.0001234800000000 ] - [ 0.0000040000000000, -0.0000046700000000, -0.0001151100000000 ] - [ 0.0000107500000000, -0.0000027100000000, -0.0001232100000000 ] - [ 0.0000035500000000, -0.0000041500000000, -0.0001159700000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000590700000000, 0.0000341000000000, -0.0008327300000000 ] - [ -0.0000590700000000, 0.0000341000000000, -0.0008327300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008072900000000 ] - [ 0.0000000000000000, -0.0000682000000000, -0.0008327300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000752000000000 ] - [ 0.0000000000000000, -0.0000035600000000, -0.0000774200000000 ] - [ 0.0000030800000000, 0.0000017800000000, -0.0000774200000000 ] - [ -0.0000030800000000, 0.0000017800000000, -0.0000774200000000 ] - [ -0.0000000300000000, -0.0000000100000000, -0.0004071800000000 ] - [ 0.0000000300000000, -0.0000000100000000, -0.0004071800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004073200000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0004071800000000 ] - [ -0.0000006500000000, 0.0000003800000000, 0.0000296300000000 ] - [ 0.0000006500000000, 0.0000003800000000, 0.0000296300000000 ] - [ 0.0000000000000000, -0.0000007500000000, 0.0000296300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000302600000000 ] - [ -0.0009404500000000, 0.0005429700000000, 0.0000762200000000 ] - [ 0.0009404500000000, 0.0005429700000000, 0.0000762200000000 ] - [ 0.0000000000000000, -0.0010859400000000, 0.0000762200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009848200000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0002282000000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0002282000000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0002282000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002290600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005463900000000 ] - [ 0.0000000000000000, 0.0005217400000000, -0.0006039500000000 ] - [ -0.0004518400000000, -0.0002608700000000, -0.0006039500000000 ] - [ 0.0004518400000000, -0.0002608700000000, -0.0006039500000000 ] - [ 0.0113042400000000, 0.0065265100000000, 0.0098272700000000 ] - [ -0.0113042400000000, 0.0065265100000000, 0.0098272700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022572600000000 ] - [ 0.0000000000000000, -0.0130530200000000, 0.0098272700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000561700000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0000545600000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0000545600000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0000545600000000 ] - [ 0.0000166300000000, -0.0000096000000000, -0.0007440200000000 ] - [ -0.0000166300000000, -0.0000096000000000, -0.0007440200000000 ] - [ 0.0000000000000000, 0.0000192000000000, -0.0007440200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007442200000000 ] - [ 0.0000001700000000, 0.0000001000000000, -0.0004058400000000 ] - [ -0.0000001700000000, 0.0000001000000000, -0.0004058400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004057000000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0004058400000000 ] - [ 0.0000008900000000, 0.0000005100000000, 0.0000514200000000 ] - [ -0.0000008900000000, 0.0000005100000000, 0.0000514200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000293800000000 ] - [ 0.0000000000000000, -0.0000010300000000, 0.0000514200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010947800000000 ] - [ 0.0000000000000000, 0.0000271000000000, -0.0011730300000000 ] - [ -0.0000234700000000, -0.0000135500000000, -0.0011730300000000 ] - [ 0.0000234700000000, -0.0000135500000000, -0.0011730300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0470337500000000 ] - [ 0.0000000000000000, -0.0008523900000000, 0.0022180500000000 ] - [ 0.0007381900000000, 0.0004262000000000, 0.0022180500000000 ] - [ -0.0007381900000000, 0.0004262000000000, 0.0022180500000000 ] - [ -0.0000591200000000, 0.0000341300000000, -0.0005602500000000 ] - [ 0.0000591200000000, 0.0000341300000000, -0.0005602500000000 ] - [ 0.0000000000000000, -0.0000682600000000, -0.0005602500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011191300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003543100000000 ] - [ 0.0000000000000000, -0.0000010800000000, -0.0003577800000000 ] - [ 0.0000009400000000, 0.0000005400000000, -0.0003577800000000 ] - [ -0.0000009400000000, 0.0000005400000000, -0.0003577800000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0004969300000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0004969300000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0004969300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004968300000000 ] - [ -0.0007415600000000, -0.0004281400000000, -0.0012622400000000 ] - [ 0.0007415600000000, -0.0004281400000000, -0.0012622400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001404700000000 ] - [ 0.0000000000000000, 0.0008562800000000, -0.0012622400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004534600000000 ] - [ 0.0000000000000000, -0.0000032500000000, 0.0004560100000000 ] - [ 0.0000028200000000, 0.0000016300000000, 0.0004560100000000 ] - [ -0.0000028200000000, 0.0000016300000000, 0.0004560100000000 ] - [ -0.0000295200000000, 0.0000170400000000, -0.0003173300000000 ] - [ 0.0000295200000000, 0.0000170400000000, -0.0003173300000000 ] - [ 0.0000000000000000, -0.0000340800000000, -0.0003173300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012024000000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0007473900000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0007473900000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0007473900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007474700000000 ] - [ 0.0039767700000000, 0.0022959900000000, 0.0041420100000000 ] - [ -0.0039767700000000, 0.0022959900000000, 0.0041420100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013356700000000 ] - [ 0.0000000000000000, -0.0045919800000000, 0.0041420100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011936300000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0011937300000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0011937300000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0011937300000000 ] - [ -0.0020769500000000, -0.0011991300000000, 0.0044375800000000 ] - [ 0.0020769500000000, -0.0011991300000000, 0.0044375800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012504000000000 ] - [ 0.0000000000000000, 0.0023982500000000, 0.0044375800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002675000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002675000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002672700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002675000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005045500000000 ] - [ 0.0000000000000000, -0.0001039100000000, 0.0006756500000000 ] - [ 0.0000899900000000, 0.0000519600000000, 0.0006756500000000 ] - [ -0.0000899900000000, 0.0000519600000000, 0.0006756500000000 ] - [ 0.0001306100000000, -0.0000754100000000, -0.0001322100000000 ] - [ -0.0001306100000000, -0.0000754100000000, -0.0001322100000000 ] - [ 0.0000000000000000, 0.0001508200000000, -0.0001322100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013341500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1026980000000000 ] - [ 0.0000000000000000, 0.0008167600000000, -0.0037210200000000 ] - [ -0.0007073400000000, -0.0004083800000000, -0.0037210200000000 ] - [ 0.0007073400000000, -0.0004083800000000, -0.0037210200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001785000000000 ] - [ 0.0000000000000000, 0.0000545400000000, -0.0000005200000000 ] - [ -0.0000472300000000, -0.0000272700000000, -0.0000005200000000 ] - [ 0.0000472300000000, -0.0000272700000000, -0.0000005200000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0005653100000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0005653100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005655900000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0005653100000000 ] - [ -0.0000033300000000, 0.0000019200000000, 0.0009236100000000 ] - [ 0.0000033300000000, 0.0000019200000000, 0.0009236100000000 ] - [ 0.0000000000000000, -0.0000038500000000, 0.0009236100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009149200000000 ] - [ -0.0000002700000000, 0.0000001600000000, 0.0006206300000000 ] - [ 0.0000002700000000, 0.0000001600000000, 0.0006206300000000 ] - [ 0.0000000000000000, -0.0000003100000000, 0.0006206300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006226800000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0009570900000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0009570900000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0009570900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009573000000000 ] - [ 0.0000046600000000, 0.0000026900000000, 0.0002459700000000 ] - [ -0.0000046600000000, 0.0000026900000000, 0.0002459700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003004200000000 ] - [ 0.0000000000000000, -0.0000053800000000, 0.0002459700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007160800000000 ] - [ 0.0000000000000000, 0.0000004700000000, 0.0007136700000000 ] - [ -0.0000004100000000, -0.0000002300000000, 0.0007136700000000 ] - [ 0.0000004100000000, -0.0000002300000000, 0.0007136700000000 ] - [ -0.0000094700000000, -0.0000054700000000, 0.0002926100000000 ] - [ 0.0000094700000000, -0.0000054700000000, 0.0002926100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003447000000000 ] - [ 0.0000000000000000, 0.0000109400000000, 0.0002926100000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000591800000000, -0.0000341700000000, 0.0000165600000000 ] - [ 0.0000591800000000, -0.0000341700000000, 0.0000165600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000092700000000 ] - [ 0.0000000000000000, 0.0000683300000000, 0.0000165600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007546800000000 ] - [ 0.0000000000000000, 0.0000025000000000, 0.0007576500000000 ] - [ -0.0000021700000000, -0.0000012500000000, 0.0007576500000000 ] - [ 0.0000021700000000, -0.0000012500000000, 0.0007576500000000 ] - [ 0.0000008100000000, 0.0000004700000000, 0.0004295500000000 ] - [ -0.0000008100000000, 0.0000004700000000, 0.0004295500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004294200000000 ] - [ 0.0000000000000000, -0.0000009400000000, 0.0004295500000000 ] - [ 0.0000012200000000, -0.0000007100000000, 0.0008778000000000 ] - [ -0.0000012200000000, -0.0000007100000000, 0.0008778000000000 ] - [ 0.0000000000000000, 0.0000014100000000, 0.0008778000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008787200000000 ] - [ 0.0009445100000000, -0.0005453100000000, 0.0007239700000000 ] - [ -0.0009445100000000, -0.0005453100000000, 0.0007239700000000 ] - [ 0.0000000000000000, 0.0010906200000000, 0.0007239700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001921200000000 ] - [ 0.0000002700000000, -0.0000001600000000, 0.0006217300000000 ] - [ -0.0000002700000000, -0.0000001600000000, 0.0006217300000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0006217300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006222400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002243600000000 ] - [ 0.0000000000000000, -0.0005256800000000, 0.0002822400000000 ] - [ 0.0004552500000000, 0.0002628400000000, 0.0002822400000000 ] - [ -0.0004552500000000, 0.0002628400000000, 0.0002822400000000 ] - [ -0.0114588200000000, -0.0066157500000000, -0.0100704000000000 ] - [ 0.0114588200000000, -0.0066157500000000, -0.0100704000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026361500000000 ] - [ 0.0000000000000000, 0.0132315100000000, -0.0100704000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007796300000000 ] - [ 0.0000000000000000, 0.0000002600000000, 0.0007781800000000 ] - [ -0.0000002300000000, -0.0000001300000000, 0.0007781800000000 ] - [ 0.0000002300000000, -0.0000001300000000, 0.0007781800000000 ] - [ -0.0000168000000000, 0.0000097000000000, 0.0000923000000000 ] - [ 0.0000168000000000, 0.0000097000000000, 0.0000923000000000 ] - [ 0.0000000000000000, -0.0000193900000000, 0.0000923000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000918200000000 ] - [ -0.0000004000000000, -0.0000002300000000, 0.0004281600000000 ] - [ 0.0000004000000000, -0.0000002300000000, 0.0004281600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004282900000000 ] - [ 0.0000000000000000, 0.0000004600000000, 0.0004281600000000 ] - [ -0.0000012100000000, -0.0000007000000000, 0.0008740700000000 ] - [ 0.0000012100000000, -0.0000007000000000, 0.0008740700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008966800000000 ] - [ 0.0000000000000000, 0.0000014000000000, 0.0008740700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003604700000000 ] - [ 0.0000000000000000, -0.0000286900000000, -0.0002817300000000 ] - [ 0.0000248500000000, 0.0000143500000000, -0.0002817300000000 ] - [ -0.0000248500000000, 0.0000143500000000, -0.0002817300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0455436200000000 ] - [ 0.0000000000000000, 0.0008557800000000, -0.0032330400000000 ] - [ -0.0007411300000000, -0.0004278900000000, -0.0032330400000000 ] - [ 0.0007411300000000, -0.0004278900000000, -0.0032330400000000 ] - [ 0.0000594200000000, -0.0000343100000000, 0.0000072000000000 ] - [ -0.0000594200000000, -0.0000343100000000, 0.0000072000000000 ] - [ 0.0000000000000000, 0.0000686100000000, 0.0000072000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005639800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004775600000000 ] - [ 0.0000000000000000, 0.0000005400000000, 0.0004811600000000 ] - [ -0.0000004700000000, -0.0000002700000000, 0.0004811600000000 ] - [ 0.0000004700000000, -0.0000002700000000, 0.0004811600000000 ] - [ -0.0000004400000000, 0.0000002500000000, 0.0003374600000000 ] - [ 0.0000004400000000, 0.0000002500000000, 0.0003374600000000 ] - [ 0.0000000000000000, -0.0000005100000000, 0.0003374600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003374200000000 ] - [ 0.0007360100000000, 0.0004249300000000, 0.0002634600000000 ] - [ -0.0007360100000000, 0.0004249300000000, 0.0002634600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011380600000000 ] - [ 0.0000000000000000, -0.0008498700000000, 0.0002634600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003916500000000 ] - [ 0.0000000000000000, 0.0000026100000000, -0.0003929800000000 ] - [ -0.0000022600000000, -0.0000013000000000, -0.0003929800000000 ] - [ 0.0000022600000000, -0.0000013000000000, -0.0003929800000000 ] - [ 0.0000295200000000, -0.0000170400000000, -0.0004377900000000 ] - [ -0.0000295200000000, -0.0000170400000000, -0.0004377900000000 ] - [ 0.0000000000000000, 0.0000340800000000, -0.0004377900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019495600000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0000957800000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0000957800000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0000957800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000960100000000 ] - [ -0.0040173200000000, -0.0023194000000000, -0.0042333800000000 ] - [ 0.0040173200000000, -0.0023194000000000, -0.0042333800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013093000000000 ] - [ 0.0000000000000000, 0.0046388000000000, -0.0042333800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003458600000000 ] - [ 0.0000000000000000, -0.0000013700000000, 0.0003471400000000 ] - [ 0.0000011800000000, 0.0000006800000000, 0.0003471400000000 ] - [ -0.0000011800000000, 0.0000006800000000, 0.0003471400000000 ] - [ 0.0020354100000000, 0.0011751400000000, -0.0041239500000000 ] - [ -0.0020354100000000, 0.0011751400000000, -0.0041239500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014885500000000 ] - [ 0.0000000000000000, -0.0023502900000000, -0.0041239500000000 ] - [ -0.0000002000000000, -0.0000001100000000, -0.0005740400000000 ] - [ 0.0000002000000000, -0.0000001100000000, -0.0005740400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005751500000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0005740400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000802700000000 ] - [ 0.0000000000000000, 0.0001059800000000, -0.0002503600000000 ] - [ -0.0000917800000000, -0.0000529900000000, -0.0002503600000000 ] - [ 0.0000917800000000, -0.0000529900000000, -0.0002503600000000 ] - [ -0.0001323300000000, 0.0000764000000000, -0.0002655000000000 ] - [ 0.0001323300000000, 0.0000764000000000, -0.0002655000000000 ] - [ 0.0000000000000000, -0.0001528000000000, -0.0002655000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017441600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0981851800000000 ] - [ 0.0000000000000000, -0.0008153900000000, 0.0021303500000000 ] - [ 0.0007061500000000, 0.0004077000000000, 0.0021303500000000 ] - [ -0.0007061500000000, 0.0004077000000000, 0.0021303500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007459500000000 ] - [ 0.0000000000000000, -0.0000527600000000, -0.0009224500000000 ] - [ 0.0000456900000000, 0.0000263800000000, -0.0009224500000000 ] - [ -0.0000456900000000, 0.0000263800000000, -0.0009224500000000 ] - [ -0.0000031600000000, -0.0000018300000000, -0.0002750400000000 ] - [ 0.0000031600000000, -0.0000018300000000, -0.0002750400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002734400000000 ] - [ 0.0000000000000000, 0.0000036500000000, -0.0002750400000000 ] - [ 0.0000022400000000, -0.0000012900000000, 0.0000726500000000 ] - [ -0.0000022400000000, -0.0000012900000000, 0.0000726500000000 ] - [ 0.0000000000000000, 0.0000025900000000, 0.0000726500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000839900000000 ] - [ -0.0000007000000000, 0.0000004000000000, -0.0002091200000000 ] - [ 0.0000007000000000, 0.0000004000000000, -0.0002091200000000 ] - [ 0.0000000000000000, -0.0000008100000000, -0.0002091200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002131200000000 ] - [ -0.0000036200000000, 0.0000020900000000, 0.0001423200000000 ] - [ 0.0000036200000000, 0.0000020900000000, 0.0001423200000000 ] - [ 0.0000000000000000, -0.0000041800000000, 0.0001423200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001413600000000 ] - [ -0.0000048500000000, -0.0000028000000000, -0.0005706300000000 ] - [ 0.0000048500000000, -0.0000028000000000, -0.0005706300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006254200000000 ] - [ 0.0000000000000000, 0.0000056100000000, -0.0005706300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001325100000000 ] - [ 0.0000000000000000, 0.0000028100000000, -0.0001321800000000 ] - [ -0.0000024300000000, -0.0000014000000000, -0.0001321800000000 ] - [ 0.0000024300000000, -0.0000014000000000, -0.0001321800000000 ] - [ 0.0000100500000000, 0.0000058000000000, -0.0005163800000000 ] - [ -0.0000100500000000, 0.0000058000000000, -0.0005163800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005697400000000 ] - [ 0.0000000000000000, -0.0000116100000000, -0.0005163800000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000141100000000, 0.0000091800000000, -0.0004044200000000 ] - [ -0.0000148300000000, 0.0000100100000000, -0.0004039800000000 ] - [ -0.0000151100000000, 0.0000092600000000, -0.0004037700000000 ] - [ -0.0000137400000000, 0.0000086500000000, -0.0004047800000000 ] - [ -0.0000153100000000, 0.0000108900000000, 0.0003338200000000 ] - [ -0.0000143000000000, 0.0000132400000000, 0.0003341700000000 ] - [ -0.0000167500000000, 0.0000052500000000, 0.0003330300000000 ] - [ -0.0000126300000000, 0.0000056400000000, 0.0003330400000000 ] - [ 0.0000156000000000, -0.0000094700000000, 0.0000221400000000 ] - [ 0.0000150000000000, -0.0000093700000000, 0.0000211700000000 ] - [ 0.0000152100000000, -0.0000085400000000, 0.0000216500000000 ] - [ 0.0000156700000000, -0.0000087400000000, 0.0000223400000000 ] - [ 0.0000155700000000, -0.0000078000000000, 0.0004493600000000 ] - [ 0.0000152000000000, -0.0000066800000000, 0.0004506200000000 ] - [ 0.0000142300000000, -0.0000095000000000, 0.0004507200000000 ] - [ 0.0000167400000000, -0.0000099100000000, 0.0004522100000000 ] - [ -0.0000153200000000, 0.0000115800000000, 0.0004114000000000 ] - [ -0.0000169800000000, 0.0000053500000000, 0.0004112300000000 ] - [ -0.0000105100000000, 0.0000099400000000, 0.0004129800000000 ] - [ -0.0000215000000000, 0.0000091200000000, 0.0004113000000000 ] - [ -0.0000138600000000, 0.0000004000000000, 0.0001486700000000 ] - [ -0.0000138100000000, 0.0000179500000000, 0.0002210600000000 ] - [ -0.0000290900000000, 0.0000106900000000, 0.0001872100000000 ] - [ -0.0000017300000000, 0.0000109400000000, 0.0001855800000000 ] - [ -0.0000143900000000, 0.0000105700000000, -0.0001723200000000 ] - [ -0.0000166400000000, 0.0000100800000000, -0.0001726800000000 ] - [ -0.0000149500000000, 0.0000090800000000, -0.0001727100000000 ] - [ -0.0000159800000000, 0.0000080400000000, -0.0001736100000000 ] - [ -0.0000134200000000, 0.0000277900000000, -0.0001855900000000 ] - [ -0.0000152500000000, -0.0000060700000000, -0.0001815300000000 ] - [ 0.0000093100000000, 0.0000092600000000, -0.0001842000000000 ] - [ -0.0000431600000000, 0.0000083300000000, -0.0001824000000000 ] - [ 0.0000168800000000, -0.0000090400000000, 0.0003503900000000 ] - [ 0.0000150500000000, -0.0000069300000000, 0.0003522100000000 ] - [ 0.0000142700000000, -0.0000090000000000, 0.0003522400000000 ] - [ 0.0000176100000000, -0.0000100600000000, 0.0003512400000000 ] - [ -0.0000146300000000, 0.0000081300000000, -0.0003241600000000 ] - [ -0.0000150100000000, 0.0000087600000000, -0.0003239000000000 ] - [ -0.0000152900000000, 0.0000083600000000, -0.0003220600000000 ] - [ -0.0000142600000000, 0.0000081800000000, -0.0003216600000000 ] - [ 0.0000155300000000, -0.0000090600000000, -0.0000044400000000 ] - [ 0.0000151800000000, -0.0000046000000000, 0.0000108100000000 ] - [ 0.0000119800000000, -0.0000100300000000, 0.0000051200000000 ] - [ 0.0000191200000000, -0.0000105400000000, 0.0000051300000000 ] - [ 0.0003305300000000, 0.0003283200000000, 0.0014942000000000 ] - [ 0.0003283900000000, -0.0003143000000000, -0.0005892900000000 ] - [ 0.0001505200000000, 0.0000097000000000, 0.0004525900000000 ] - [ -0.0002272300000000, 0.0000081400000000, 0.0004546600000000 ] - [ 0.0029649700000000, 0.0000156200000000, -0.0008231700000000 ] - [ -0.0011815300000000, -0.0000074800000000, -0.0007324500000000 ] - [ 0.0000388800000000, 0.0006952000000000, -0.0006557600000000 ] - [ 0.0000395300000000, -0.0007144300000000, -0.0007964300000000 ] - [ 0.0000486800000000, -0.0000093100000000, -0.0005161900000000 ] - [ -0.0000161700000000, -0.0000077400000000, -0.0005166600000000 ] - [ -0.0000155900000000, -0.0000077200000000, -0.0005567100000000 ] - [ -0.0000129300000000, -0.0000101600000000, -0.0004743000000000 ] - [ 0.0292863000000000, -0.0159062900000000, 0.0121557300000000 ] - [ 0.0305157700000000, 0.0168145200000000, -0.0133361000000000 ] - [ 0.0015696700000000, 0.0000914300000000, -0.0002572500000000 ] - [ -0.0004577600000000, -0.0000045300000000, -0.0002652500000000 ] - [ -0.0000798700000000, 0.0000100800000000, 0.0000774400000000 ] - [ 0.0000747000000000, 0.0000082400000000, 0.0000805700000000 ] - [ -0.0000214100000000, -0.0000483900000000, -0.0000633800000000 ] - [ -0.0000245600000000, 0.0000644600000000, 0.0002202300000000 ] - [ 0.0000169900000000, -0.0000084700000000, -0.0000752200000000 ] - [ 0.0000154200000000, -0.0000083800000000, -0.0000763200000000 ] - [ 0.0000159600000000, -0.0000094300000000, -0.0000741500000000 ] - [ 0.0000165800000000, -0.0000101200000000, -0.0000750100000000 ] - [ 0.0000086700000000, -0.0004119500000000, -0.0007297800000000 ] - [ 0.0000102100000000, 0.0003910500000000, -0.0002800200000000 ] - [ -0.0015277700000000, -0.0000084700000000, -0.0005081600000000 ] - [ 0.0007046900000000, -0.0000075500000000, -0.0005031300000000 ] - [ -0.0000143400000000, -0.0000143700000000, 0.0000082000000000 ] - [ 0.0002030700000000, -0.0000236300000000, 0.0000097200000000 ] - [ -0.0000276500000000, -0.0001265700000000, 0.0003480700000000 ] - [ -0.0000437600000000, 0.0001491600000000, -0.0003098400000000 ] - [ 0.0021991900000000, -0.0015104400000000, 0.0016644000000000 ] - [ 0.0021863200000000, 0.0015483100000000, -0.0024685900000000 ] - [ -0.0004563100000000, 0.0000029300000000, -0.0003955800000000 ] - [ 0.0000109200000000, -0.0000133500000000, -0.0003895800000000 ] - [ 0.0000108300000000, -0.0000062900000000, 0.0003214500000000 ] - [ -0.0000222800000000, 0.0000036000000000, 0.0003357700000000 ] - [ -0.0000142200000000, 0.0000164900000000, 0.0003183900000000 ] - [ 0.0000026200000000, -0.0000026500000000, 0.0003060100000000 ] - [ 0.0000003800000000, 0.0000004500000000, 0.0000007900000000 ] - [ 0.0000103100000000, -0.0000010600000000, 0.0000177600000000 ] - [ 0.0000092100000000, -0.0000092200000000, 0.0000276400000000 ] - [ 0.0000040100000000, -0.0000034200000000, -0.0000077000000000 ] - [ 0.0000022400000000, 0.0000150800000000, 0.0007866300000000 ] - [ -0.0000147700000000, 0.0000203300000000, 0.0007856600000000 ] - [ -0.0000108400000000, -0.0000058800000000, 0.0007949900000000 ] - [ -0.0000016700000000, -0.0000156900000000, 0.0007918900000000 ] - [ -0.0000155100000000, 0.0000749700000000, 0.0001351700000000 ] - [ 0.0000006700000000, -0.0000551100000000, 0.0000747300000000 ] - [ 0.0004352900000000, -0.0000085800000000, 0.0001109900000000 ] - [ -0.0001199700000000, 0.0000002300000000, 0.0001246800000000 ] - [ -0.0000052700000000, -0.0000051100000000, -0.0001622000000000 ] - [ 0.0000153600000000, 0.0000081600000000, -0.0002100500000000 ] - [ -0.0000039700000000, -0.0000142400000000, -0.0002007300000000 ] - [ 0.0000165100000000, -0.0000024300000000, -0.0001842800000000 ] - [ 0.0000039800000000, -0.0000093500000000, 0.0002435000000000 ] - [ 0.0000070500000000, -0.0000002700000000, 0.0002318700000000 ] - [ -0.0000023000000000, -0.0000028600000000, 0.0002431600000000 ] - [ 0.0000133200000000, -0.0000011200000000, 0.0002408800000000 ] - [ 0.0000117900000000, 0.0000001600000000, -0.0002240300000000 ] - [ -0.0000001000000000, -0.0000002300000000, -0.0002384800000000 ] - [ 0.0000062600000000, -0.0000040300000000, -0.0002403600000000 ] - [ 0.0000053200000000, -0.0000107700000000, -0.0002326800000000 ] - [ 0.0000234500000000, -0.0000184900000000, -0.0008144600000000 ] - [ -0.0000148600000000, 0.0000141900000000, -0.0008158400000000 ] - [ -0.0000101900000000, 0.0000143800000000, -0.0008582600000000 ] - [ 0.0000462900000000, -0.0000235500000000, -0.0007879000000000 ] - [ -0.0963599600000000, -0.0010418400000000, 0.0003573400000000 ] - [ 0.0166098900000000, -0.0000051600000000, -0.0004132000000000 ] - [ 0.0044120100000000, -0.0070433000000000, 0.0002446400000000 ] - [ 0.0043999600000000, 0.0070484300000000, -0.0010634500000000 ] - [ -0.0000044000000000, 0.0000005300000000, 0.0001299400000000 ] - [ -0.0000072300000000, 0.0000009400000000, 0.0001311700000000 ] - [ -0.0000061800000000, 0.0000063400000000, 0.0001291500000000 ] - [ -0.0000055400000000, 0.0000046100000000, 0.0001222400000000 ] - [ -0.0000148700000000, 0.0000080700000000, 0.0004985900000000 ] - [ 0.0000258100000000, 0.0000091100000000, 0.0005165200000000 ] - [ 0.0000045700000000, -0.0000281000000000, 0.0005051000000000 ] - [ 0.0000063200000000, -0.0000046700000000, 0.0004823600000000 ] - [ 0.0000170600000000, -0.0000249300000000, 0.0003589400000000 ] - [ 0.0000154700000000, 0.0000266800000000, 0.0001634900000000 ] - [ -0.0000283800000000, -0.0000073400000000, 0.0002476700000000 ] - [ 0.0000375500000000, -0.0000082100000000, 0.0002605400000000 ] - [ -0.0000115800000000, -0.0000002300000000, 0.0005949700000000 ] - [ -0.0000000100000000, -0.0000019800000000, 0.0005828600000000 ] - [ -0.0000043300000000, 0.0000041300000000, 0.0005719900000000 ] - [ -0.0000072900000000, 0.0000108200000000, 0.0005679600000000 ] - [ 0.0022616700000000, 0.0015282800000000, -0.0041883200000000 ] - [ 0.0022294500000000, -0.0015169600000000, 0.0038485700000000 ] - [ -0.0000198500000000, 0.0000057700000000, -0.0001902000000000 ] - [ -0.0003917000000000, -0.0000122100000000, -0.0001929400000000 ] - [ -0.0000156000000000, 0.0000168500000000, 0.0002296900000000 ] - [ 0.0000032400000000, 0.0000217300000000, 0.0002554400000000 ] - [ -0.0000103800000000, -0.0000180200000000, 0.0002593700000000 ] - [ -0.0000018700000000, -0.0000071800000000, 0.0002644500000000 ] - [ 0.0000175200000000, -0.0000038100000000, -0.0000921100000000 ] - [ -0.0000063200000000, 0.0000141500000000, -0.0000993600000000 ] - [ -0.0000098100000000, -0.0000049300000000, -0.0000961800000000 ] - [ 0.0000211500000000, -0.0000187100000000, -0.0001022700000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000030400000000, 0.0000017600000000, -0.0008240900000000 ] - [ -0.0000030400000000, 0.0000017600000000, -0.0008240900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008271000000000 ] - [ 0.0000000000000000, -0.0000035100000000, -0.0008240900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000777100000000 ] - [ 0.0000000000000000, 0.0000030600000000, -0.0000798100000000 ] - [ -0.0000026500000000, -0.0000015300000000, -0.0000798100000000 ] - [ 0.0000026500000000, -0.0000015300000000, -0.0000798100000000 ] - [ -0.0000026600000000, -0.0000015400000000, -0.0003599800000000 ] - [ 0.0000026600000000, -0.0000015400000000, -0.0003599800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003572100000000 ] - [ 0.0000000000000000, 0.0000030700000000, -0.0003599800000000 ] - [ -0.0000042200000000, 0.0000024400000000, 0.0000433000000000 ] - [ 0.0000042200000000, 0.0000024400000000, 0.0000433000000000 ] - [ 0.0000000000000000, -0.0000048700000000, 0.0000433000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000444200000000 ] - [ -0.0000034200000000, 0.0000019700000000, 0.0000214100000000 ] - [ 0.0000034200000000, 0.0000019700000000, 0.0000214100000000 ] - [ 0.0000000000000000, -0.0000039400000000, 0.0000214100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000109400000000 ] - [ 0.0000050700000000, -0.0000029300000000, -0.0002372500000000 ] - [ -0.0000050700000000, -0.0000029300000000, -0.0002372500000000 ] - [ 0.0000000000000000, 0.0000058600000000, -0.0002372500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002065100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005688100000000 ] - [ 0.0000000000000000, -0.0000027100000000, -0.0005626700000000 ] - [ 0.0000023500000000, 0.0000013600000000, -0.0005626700000000 ] - [ -0.0000023500000000, 0.0000013600000000, -0.0005626700000000 ] - [ 0.0000731300000000, 0.0000422200000000, -0.0005780700000000 ] - [ -0.0000731300000000, 0.0000422200000000, -0.0005780700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006628700000000 ] - [ 0.0000000000000000, -0.0000844400000000, -0.0005780700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000548300000000 ] - [ 0.0000000000000000, -0.0000028000000000, -0.0000539500000000 ] - [ 0.0000024200000000, 0.0000014000000000, -0.0000539500000000 ] - [ -0.0000024200000000, 0.0000014000000000, -0.0000539500000000 ] - [ -0.0000012200000000, 0.0000007000000000, -0.0007513600000000 ] - [ 0.0000012200000000, 0.0000007000000000, -0.0007513600000000 ] - [ 0.0000000000000000, -0.0000014100000000, -0.0007513600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007500000000000 ] - [ -0.0000027700000000, -0.0000016000000000, -0.0004068300000000 ] - [ 0.0000027700000000, -0.0000016000000000, -0.0004068300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004062500000000 ] - [ 0.0000000000000000, 0.0000032000000000, -0.0004068300000000 ] - [ -0.0005712800000000, -0.0003298300000000, -0.0003426000000000 ] - [ 0.0005712800000000, -0.0003298300000000, -0.0003426000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012125700000000 ] - [ 0.0000000000000000, 0.0006596600000000, -0.0003426000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0479623900000000 ] - [ 0.0000000000000000, -0.0007977100000000, 0.0018917700000000 ] - [ 0.0006908400000000, 0.0003988600000000, 0.0018917700000000 ] - [ -0.0006908400000000, 0.0003988600000000, 0.0018917700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008992800000000 ] - [ 0.0000000000000000, -0.0005172400000000, -0.0009641600000000 ] - [ 0.0004479400000000, 0.0002586200000000, -0.0009641600000000 ] - [ -0.0004479400000000, 0.0002586200000000, -0.0009641600000000 ] - [ 0.0113534800000000, -0.0065549300000000, 0.0097777600000000 ] - [ -0.0113534800000000, -0.0065549300000000, 0.0097777600000000 ] - [ 0.0000000000000000, 0.0131098700000000, 0.0097777600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022337000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002604500000000 ] - [ 0.0000000000000000, 0.0000793800000000, -0.0003697000000000 ] - [ -0.0000687500000000, -0.0000396900000000, -0.0003697000000000 ] - [ 0.0000687500000000, -0.0000396900000000, -0.0003697000000000 ] - [ 0.0000002700000000, -0.0000001600000000, -0.0005132900000000 ] - [ -0.0000002700000000, -0.0000001600000000, -0.0005132900000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0005132900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005153100000000 ] - [ -0.0009281700000000, -0.0005358800000000, -0.0008494500000000 ] - [ 0.0009281700000000, -0.0005358800000000, -0.0008494500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000538500000000 ] - [ 0.0000000000000000, 0.0010717600000000, -0.0008494500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000491400000000 ] - [ 0.0000000000000000, 0.0002691600000000, 0.0005927500000000 ] - [ -0.0002331000000000, -0.0001345800000000, 0.0005927500000000 ] - [ 0.0002331000000000, -0.0001345800000000, 0.0005927500000000 ] - [ 0.0039826600000000, -0.0022993900000000, 0.0037542800000000 ] - [ -0.0039826600000000, -0.0022993900000000, 0.0037542800000000 ] - [ 0.0000000000000000, 0.0045987800000000, 0.0037542800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016516200000000 ] - [ 0.0000007900000000, -0.0000004500000000, 0.0007366600000000 ] - [ -0.0000007900000000, -0.0000004500000000, 0.0007366600000000 ] - [ 0.0000000000000000, 0.0000009100000000, 0.0007366600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007427300000000 ] - [ -0.0000241900000000, -0.0000139700000000, 0.0004149800000000 ] - [ 0.0000241900000000, -0.0000139700000000, 0.0004149800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004178300000000 ] - [ 0.0000000000000000, 0.0000279300000000, 0.0004149800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012056400000000 ] - [ 0.0000000000000000, -0.0000018100000000, 0.0012069300000000 ] - [ 0.0000015700000000, 0.0000009100000000, 0.0012069300000000 ] - [ -0.0000015700000000, 0.0000009100000000, 0.0012069300000000 ] - [ 0.0001156100000000, 0.0000667400000000, 0.0001844000000000 ] - [ -0.0001156100000000, 0.0000667400000000, 0.0001844000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016550800000000 ] - [ 0.0000000000000000, -0.0001334900000000, 0.0001844000000000 ] - [ -0.0000057200000000, -0.0000033000000000, 0.0002327200000000 ] - [ 0.0000057200000000, -0.0000033000000000, 0.0002327200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002285200000000 ] - [ 0.0000000000000000, 0.0000066100000000, 0.0002327200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006292000000000 ] - [ 0.0000000000000000, 0.0000005600000000, 0.0006258200000000 ] - [ -0.0000004800000000, -0.0000002800000000, 0.0006258200000000 ] - [ 0.0000004800000000, -0.0000002800000000, 0.0006258200000000 ] - [ 0.0000032300000000, -0.0000018600000000, 0.0001813600000000 ] - [ -0.0000032300000000, -0.0000018600000000, 0.0001813600000000 ] - [ 0.0000000000000000, 0.0000037300000000, 0.0001813600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001880900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005366300000000 ] - [ 0.0000000000000000, 0.0000862500000000, -0.0003444900000000 ] - [ -0.0000747000000000, -0.0000431300000000, -0.0003444900000000 ] - [ 0.0000747000000000, -0.0000431300000000, -0.0003444900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1031936800000000 ] - [ 0.0000000000000000, -0.0007740600000000, -0.0032506900000000 ] - [ 0.0006703600000000, 0.0003870300000000, -0.0032506900000000 ] - [ -0.0006703600000000, 0.0003870300000000, -0.0032506900000000 ] - [ 0.0000021800000000, 0.0000012600000000, 0.0005384800000000 ] - [ -0.0000021800000000, 0.0000012600000000, 0.0005384800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005419200000000 ] - [ 0.0000000000000000, -0.0000025200000000, 0.0005384800000000 ] - [ -0.0000090900000000, 0.0000052500000000, 0.0009100900000000 ] - [ 0.0000090900000000, 0.0000052500000000, 0.0009100900000000 ] - [ 0.0000000000000000, -0.0000105000000000, 0.0009100900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009051200000000 ] - [ 0.0000178200000000, -0.0000102900000000, 0.0006697900000000 ] - [ -0.0000178200000000, -0.0000102900000000, 0.0006697900000000 ] - [ 0.0000000000000000, 0.0000205700000000, 0.0006697900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005670500000000 ] - [ -0.0000010500000000, 0.0000006100000000, 0.0009520400000000 ] - [ 0.0000010500000000, 0.0000006100000000, 0.0009520400000000 ] - [ 0.0000000000000000, -0.0000012200000000, 0.0009520400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009344000000000 ] - [ -0.0021013200000000, -0.0012132000000000, 0.0040585900000000 ] - [ 0.0021013200000000, -0.0012132000000000, 0.0040585900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014942000000000 ] - [ 0.0000000000000000, 0.0024263900000000, 0.0040585900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006707600000000 ] - [ 0.0000000000000000, 0.0000176900000000, 0.0006929400000000 ] - [ -0.0000153200000000, -0.0000088500000000, 0.0006929400000000 ] - [ 0.0000153200000000, -0.0000088500000000, 0.0006929400000000 ] - [ -0.0000006000000000, -0.0000003500000000, 0.0003035000000000 ] - [ 0.0000006000000000, -0.0000003500000000, 0.0003035000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003055500000000 ] - [ 0.0000000000000000, 0.0000006900000000, 0.0003035000000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000015800000000, 0.0000009100000000, 0.0000032300000000 ] - [ -0.0000015800000000, 0.0000009100000000, 0.0000032300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000022700000000 ] - [ 0.0000000000000000, -0.0000018300000000, 0.0000032300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007542500000000 ] - [ 0.0000000000000000, -0.0000017900000000, 0.0007541600000000 ] - [ 0.0000015500000000, 0.0000008900000000, 0.0007541600000000 ] - [ -0.0000015500000000, 0.0000008900000000, 0.0007541600000000 ] - [ 0.0000001700000000, 0.0000001000000000, 0.0004177200000000 ] - [ -0.0000001700000000, 0.0000001000000000, 0.0004177200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004170500000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0004177200000000 ] - [ 0.0000011000000000, -0.0000006400000000, 0.0008687600000000 ] - [ -0.0000011000000000, -0.0000006400000000, 0.0008687600000000 ] - [ 0.0000000000000000, 0.0000012700000000, 0.0008687600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008682000000000 ] - [ 0.0000015800000000, -0.0000009100000000, 0.0008038400000000 ] - [ -0.0000015800000000, -0.0000009100000000, 0.0008038400000000 ] - [ 0.0000000000000000, 0.0000018200000000, 0.0008038400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008116600000000 ] - [ -0.0000036300000000, 0.0000021000000000, 0.0006250500000000 ] - [ 0.0000036300000000, 0.0000021000000000, 0.0006250500000000 ] - [ 0.0000000000000000, -0.0000042000000000, 0.0006250500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005931500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002507900000000 ] - [ 0.0000000000000000, 0.0000008500000000, 0.0002524900000000 ] - [ -0.0000007400000000, -0.0000004300000000, 0.0002524900000000 ] - [ 0.0000007400000000, -0.0000004300000000, 0.0002524900000000 ] - [ -0.0000745200000000, -0.0000430200000000, 0.0002083600000000 ] - [ 0.0000745200000000, -0.0000430200000000, 0.0002083600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002938500000000 ] - [ 0.0000000000000000, 0.0000860400000000, 0.0002083600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007773200000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0007753300000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0007753300000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0007753300000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0000856400000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0000856400000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0000856400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000839600000000 ] - [ 0.0000012000000000, 0.0000006900000000, 0.0004259200000000 ] - [ -0.0000012000000000, 0.0000006900000000, 0.0004259200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004264200000000 ] - [ 0.0000000000000000, -0.0000013800000000, 0.0004259200000000 ] - [ 0.0005666900000000, 0.0003271800000000, 0.0012683000000000 ] - [ -0.0005666900000000, 0.0003271800000000, 0.0012683000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002848100000000 ] - [ 0.0000000000000000, -0.0006543500000000, 0.0012683000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0468483500000000 ] - [ 0.0000000000000000, 0.0008020500000000, -0.0033437700000000 ] - [ -0.0006946000000000, -0.0004010300000000, -0.0033437700000000 ] - [ 0.0006946000000000, -0.0004010300000000, -0.0033437700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001304000000000 ] - [ 0.0000000000000000, 0.0005219900000000, -0.0000652300000000 ] - [ -0.0004520500000000, -0.0002609900000000, -0.0000652300000000 ] - [ 0.0004520500000000, -0.0002609900000000, -0.0000652300000000 ] - [ -0.0115042500000000, 0.0066419800000000, -0.0101751400000000 ] - [ 0.0115042500000000, 0.0066419800000000, -0.0101751400000000 ] - [ 0.0000000000000000, -0.0132839600000000, -0.0101751400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027771100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003821200000000 ] - [ 0.0000000000000000, -0.0000805800000000, 0.0004935000000000 ] - [ 0.0000697800000000, 0.0000402900000000, 0.0004935000000000 ] - [ -0.0000697800000000, 0.0000402900000000, 0.0004935000000000 ] - [ -0.0000005900000000, 0.0000003400000000, 0.0003288200000000 ] - [ 0.0000005900000000, 0.0000003400000000, 0.0003288200000000 ] - [ 0.0000000000000000, -0.0000006800000000, 0.0003288200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003295800000000 ] - [ 0.0009277200000000, 0.0005356200000000, -0.0001773200000000 ] - [ -0.0009277200000000, 0.0005356200000000, -0.0001773200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010925300000000 ] - [ 0.0000000000000000, -0.0010712400000000, -0.0001773200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000094600000000 ] - [ 0.0000000000000000, -0.0002690900000000, -0.0005229200000000 ] - [ 0.0002330400000000, 0.0001345400000000, -0.0005229200000000 ] - [ -0.0002330400000000, 0.0001345400000000, -0.0005229200000000 ] - [ -0.0040207400000000, 0.0023213700000000, -0.0045511500000000 ] - [ 0.0040207400000000, 0.0023213700000000, -0.0045511500000000 ] - [ 0.0000000000000000, -0.0046427500000000, -0.0045511500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009259900000000 ] - [ -0.0000009700000000, 0.0000005600000000, -0.0000848800000000 ] - [ 0.0000009700000000, 0.0000005600000000, -0.0000848800000000 ] - [ 0.0000000000000000, -0.0000011200000000, -0.0000848800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000887000000000 ] - [ 0.0000220700000000, 0.0000127400000000, -0.0004437500000000 ] - [ -0.0000220700000000, 0.0000127400000000, -0.0004437500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004432400000000 ] - [ 0.0000000000000000, -0.0000254800000000, -0.0004437500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003673600000000 ] - [ 0.0000000000000000, 0.0000010800000000, 0.0003677000000000 ] - [ -0.0000009300000000, -0.0000005400000000, 0.0003677000000000 ] - [ 0.0000009300000000, -0.0000005400000000, 0.0003677000000000 ] - [ -0.0001214500000000, -0.0000701200000000, 0.0000713700000000 ] - [ 0.0001214500000000, -0.0000701200000000, 0.0000713700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014116000000000 ] - [ 0.0000000000000000, 0.0001402400000000, 0.0000713700000000 ] - [ 0.0000060300000000, 0.0000034800000000, -0.0005603400000000 ] - [ -0.0000060300000000, 0.0000034800000000, -0.0005603400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005556800000000 ] - [ 0.0000000000000000, -0.0000069600000000, -0.0005603400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001963000000000 ] - [ 0.0000000000000000, -0.0000001600000000, -0.0001964200000000 ] - [ 0.0000001400000000, 0.0000000800000000, -0.0001964200000000 ] - [ -0.0000001400000000, 0.0000000800000000, -0.0001964200000000 ] - [ -0.0000013800000000, 0.0000008000000000, -0.0006042500000000 ] - [ 0.0000013800000000, 0.0000008000000000, -0.0006042500000000 ] - [ 0.0000000000000000, -0.0000015900000000, -0.0006042500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006062900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010718000000000 ] - [ 0.0000000000000000, -0.0000869600000000, -0.0012570300000000 ] - [ 0.0000753100000000, 0.0000434800000000, -0.0012570300000000 ] - [ -0.0000753100000000, 0.0000434800000000, -0.0012570300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0993564700000000 ] - [ 0.0000000000000000, 0.0007642500000000, 0.0023216100000000 ] - [ -0.0006618600000000, -0.0003821200000000, 0.0023216100000000 ] - [ 0.0006618600000000, -0.0003821200000000, 0.0023216100000000 ] - [ -0.0000002500000000, -0.0000001400000000, -0.0002591000000000 ] - [ 0.0000002500000000, -0.0000001400000000, -0.0002591000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002601500000000 ] - [ 0.0000000000000000, 0.0000002900000000, -0.0002591000000000 ] - [ 0.0000042300000000, -0.0000024400000000, 0.0000877000000000 ] - [ -0.0000042300000000, -0.0000024400000000, 0.0000877000000000 ] - [ 0.0000000000000000, 0.0000048900000000, 0.0000877000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000886000000000 ] - [ -0.0000219400000000, 0.0000126700000000, -0.0002425200000000 ] - [ 0.0000219400000000, 0.0000126700000000, -0.0002425200000000 ] - [ 0.0000000000000000, -0.0000253400000000, -0.0002425200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001421700000000 ] - [ 0.0000009100000000, -0.0000005200000000, 0.0001214700000000 ] - [ -0.0000009100000000, -0.0000005200000000, 0.0001214700000000 ] - [ 0.0000000000000000, 0.0000010500000000, 0.0001214700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001324300000000 ] - [ 0.0020736400000000, 0.0011972200000000, -0.0043204600000000 ] - [ -0.0020736400000000, 0.0011972200000000, -0.0043204600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011651900000000 ] - [ 0.0000000000000000, -0.0023944300000000, -0.0043204600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001123000000000 ] - [ 0.0000000000000000, -0.0000100000000000, -0.0001218900000000 ] - [ 0.0000086600000000, 0.0000050000000000, -0.0001218900000000 ] - [ -0.0000086600000000, 0.0000050000000000, -0.0001218900000000 ] - [ 0.0000007900000000, 0.0000004500000000, -0.0005196400000000 ] - [ -0.0000007900000000, 0.0000004500000000, -0.0005196400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005201200000000 ] - [ 0.0000000000000000, -0.0000009100000000, -0.0005196400000000 ]- atom: 117 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000137900000000, 0.0000092600000000, -0.0004077300000000 ] - [ -0.0000153100000000, 0.0000095100000000, -0.0004077000000000 ] - [ -0.0000146600000000, 0.0000096700000000, -0.0004093000000000 ] - [ -0.0000142800000000, 0.0000086900000000, -0.0004063100000000 ] - [ -0.0000162000000000, 0.0000381900000000, 0.0002553000000000 ] - [ -0.0000160500000000, -0.0000200100000000, 0.0004202900000000 ] - [ 0.0000979200000000, 0.0000083400000000, 0.0003375700000000 ] - [ -0.0000665300000000, 0.0000084600000000, 0.0003374800000000 ] - [ 0.0029933600000000, 0.0000155500000000, -0.0000807500000000 ] - [ -0.0011729100000000, -0.0000088400000000, 0.0000077300000000 ] - [ 0.0000406900000000, 0.0006896100000000, 0.0000916600000000 ] - [ 0.0000389100000000, -0.0007108300000000, -0.0000590400000000 ] - [ 0.0000199100000000, -0.0000085600000000, 0.0004523100000000 ] - [ -0.0000721500000000, -0.0000080700000000, 0.0004516200000000 ] - [ 0.0002903400000000, -0.0001656700000000, -0.0006165800000000 ] - [ 0.0002906500000000, 0.0001467700000000, 0.0015196500000000 ] - [ -0.0000160900000000, 0.0000089900000000, 0.0004053200000000 ] - [ -0.0000158800000000, 0.0000091000000000, 0.0004054300000000 ] - [ -0.0000160800000000, 0.0000089900000000, 0.0004056500000000 ] - [ -0.0000158600000000, 0.0000091200000000, 0.0004052300000000 ] - [ -0.0000427300000000, 0.0000096500000000, 0.0001937800000000 ] - [ 0.0000107600000000, 0.0000099800000000, 0.0001934600000000 ] - [ -0.0000137300000000, -0.0000068600000000, 0.0001971700000000 ] - [ -0.0000131500000000, 0.0000269400000000, 0.0001901800000000 ] - [ -0.0000156200000000, 0.0000095900000000, -0.0001620900000000 ] - [ -0.0000154000000000, 0.0000093800000000, -0.0001614500000000 ] - [ -0.0000150900000000, 0.0000093000000000, -0.0001616100000000 ] - [ -0.0000157100000000, 0.0000094300000000, -0.0001617300000000 ] - [ -0.0000156900000000, 0.0000094900000000, -0.0001857500000000 ] - [ -0.0000157100000000, 0.0000100000000000, -0.0001858800000000 ] - [ -0.0000161800000000, 0.0000097800000000, -0.0001858600000000 ] - [ -0.0000153600000000, 0.0000098400000000, -0.0001857300000000 ] - [ 0.0304787400000000, 0.0167873600000000, -0.0127034200000000 ] - [ 0.0292491100000000, -0.0158841300000000, 0.0127787300000000 ] - [ -0.0004565300000000, -0.0000023000000000, 0.0003629000000000 ] - [ 0.0015752500000000, 0.0000926800000000, 0.0003691300000000 ] - [ -0.0000227400000000, 0.0000081600000000, -0.0003265400000000 ] - [ -0.0000081500000000, 0.0000084400000000, -0.0003265300000000 ] - [ -0.0000138000000000, 0.0000030500000000, -0.0003165800000000 ] - [ -0.0000133000000000, 0.0000136600000000, -0.0003360600000000 ] - [ 0.0000495700000000, -0.0000084400000000, 0.0000085100000000 ] - [ -0.0000174300000000, -0.0000083600000000, 0.0000088600000000 ] - [ -0.0000145200000000, -0.0000070100000000, -0.0000324400000000 ] - [ -0.0000142200000000, -0.0000105100000000, 0.0000504800000000 ] - [ -0.0000128000000000, 0.0000080900000000, 0.0004613200000000 ] - [ -0.0000153400000000, 0.0000084600000000, 0.0004612000000000 ] - [ -0.0000144900000000, 0.0000090600000000, 0.0004613400000000 ] - [ -0.0000137600000000, 0.0000076700000000, 0.0004612400000000 ] - [ 0.0000147600000000, -0.0000079100000000, -0.0007296600000000 ] - [ 0.0000146900000000, -0.0000080300000000, -0.0007298900000000 ] - [ 0.0000150300000000, -0.0000080800000000, -0.0007299500000000 ] - [ 0.0000146200000000, -0.0000081400000000, -0.0007301600000000 ] - [ 0.0000154700000000, -0.0000087500000000, -0.0005114900000000 ] - [ 0.0000157100000000, -0.0000086100000000, -0.0005117000000000 ] - [ 0.0000153500000000, -0.0000087600000000, -0.0005114100000000 ] - [ 0.0000157200000000, -0.0000086300000000, -0.0005117700000000 ] - [ 0.0000158200000000, -0.0000084400000000, -0.0002734600000000 ] - [ 0.0000152300000000, -0.0000082700000000, -0.0002731100000000 ] - [ 0.0000153900000000, -0.0000088100000000, -0.0002731600000000 ] - [ 0.0000156800000000, -0.0000091500000000, -0.0002733500000000 ] - [ -0.0000155500000000, 0.0000066800000000, 0.0000639000000000 ] - [ -0.0000156200000000, 0.0000104900000000, 0.0000659700000000 ] - [ -0.0000184600000000, 0.0000086100000000, 0.0000650300000000 ] - [ -0.0000122900000000, 0.0000085600000000, 0.0000649000000000 ] - [ 0.0007098500000000, -0.0000079900000000, -0.0000786400000000 ] - [ -0.0015315100000000, -0.0000082400000000, -0.0000812500000000 ] - [ 0.0000104900000000, 0.0003935900000000, 0.0001466700000000 ] - [ 0.0000100000000000, -0.0004142700000000, -0.0003044800000000 ] - [ 0.0000151400000000, -0.0000090900000000, -0.0005003200000000 ] - [ 0.0000153700000000, -0.0000094500000000, -0.0005004900000000 ] - [ 0.0000157300000000, -0.0000090200000000, -0.0005005100000000 ] - [ 0.0000150900000000, -0.0000090800000000, -0.0005000900000000 ] - [ 0.0000065000000000, -0.0000039000000000, 0.0000303100000000 ] - [ 0.0000040100000000, -0.0000051800000000, 0.0000337300000000 ] - [ 0.0000060500000000, -0.0000020100000000, 0.0000313900000000 ] - [ 0.0000039600000000, -0.0000034800000000, 0.0000334300000000 ] - [ -0.0000051800000000, 0.0000041500000000, -0.0003736700000000 ] - [ -0.0000066300000000, 0.0000042800000000, -0.0003743200000000 ] - [ -0.0000057600000000, 0.0000026400000000, -0.0003743100000000 ] - [ -0.0000057000000000, 0.0000018700000000, -0.0003739100000000 ] - [ -0.0000953700000000, 0.0000016300000000, 0.0003266100000000 ] - [ 0.0004112100000000, 0.0000032500000000, 0.0003270000000000 ] - [ -0.0000083000000000, -0.0000471900000000, 0.0002991900000000 ] - [ -0.0000065500000000, 0.0000540700000000, 0.0003530500000000 ] - [ 0.0000051600000000, -0.0000030500000000, -0.0000161000000000 ] - [ 0.0000059100000000, -0.0000031100000000, -0.0000141200000000 ] - [ 0.0000059700000000, -0.0000036900000000, -0.0000135400000000 ] - [ 0.0000052600000000, -0.0000032800000000, -0.0000165700000000 ] - [ 0.0021963100000000, 0.0015415200000000, -0.0012995600000000 ] - [ 0.0021889000000000, -0.0015223600000000, 0.0028398300000000 ] - [ 0.0000117500000000, 0.0000023600000000, 0.0007780700000000 ] - [ -0.0004609900000000, 0.0000067500000000, 0.0007795500000000 ] - [ -0.0000062400000000, 0.0000042800000000, 0.0001205700000000 ] - [ -0.0000051700000000, 0.0000020400000000, 0.0001203800000000 ] - [ -0.0000039600000000, 0.0000019200000000, 0.0001210000000000 ] - [ -0.0000077400000000, 0.0000024300000000, 0.0001216100000000 ] - [ 0.0000041400000000, -0.0000031500000000, -0.0001569000000000 ] - [ 0.0000044800000000, -0.0000029300000000, -0.0001580600000000 ] - [ 0.0000179700000000, 0.0000039500000000, -0.0002057100000000 ] - [ 0.0000182900000000, -0.0000115800000000, -0.0001097600000000 ] - [ 0.0000054800000000, -0.0000033700000000, 0.0002175300000000 ] - [ 0.0000058000000000, -0.0000033500000000, 0.0002155200000000 ] - [ 0.0000055100000000, -0.0000034500000000, 0.0002166000000000 ] - [ 0.0000054800000000, -0.0000032700000000, 0.0002169200000000 ] - [ 0.0000061000000000, -0.0000032800000000, -0.0002040400000000 ] - [ 0.0000054200000000, -0.0000034200000000, -0.0002035600000000 ] - [ 0.0000060900000000, -0.0000039200000000, -0.0002043500000000 ] - [ 0.0000057300000000, -0.0000042400000000, -0.0002032100000000 ] - [ 0.0000066700000000, -0.0000043900000000, -0.0007975700000000 ] - [ 0.0000041400000000, -0.0000020900000000, -0.0007973900000000 ] - [ 0.0000033300000000, -0.0000030100000000, -0.0007972700000000 ] - [ 0.0000075200000000, -0.0000040000000000, -0.0007985000000000 ] - [ -0.0000063900000000, 0.0000037100000000, -0.0004593000000000 ] - [ -0.0000060300000000, 0.0000034100000000, -0.0004611300000000 ] - [ -0.0000059900000000, 0.0000031800000000, -0.0004614600000000 ] - [ -0.0000065300000000, 0.0000034600000000, -0.0004603400000000 ] - [ -0.0962872600000000, -0.0010489600000000, 0.0008886600000000 ] - [ 0.0166168300000000, -0.0000019800000000, 0.0001467700000000 ] - [ 0.0044014400000000, -0.0070462700000000, 0.0008091000000000 ] - [ 0.0044089000000000, 0.0070544700000000, -0.0005202900000000 ] - [ -0.0000257400000000, -0.0000031100000000, 0.0004997200000000 ] - [ 0.0000290400000000, -0.0000030000000000, 0.0005018000000000 ] - [ 0.0000135800000000, -0.0000274800000000, 0.0004623500000000 ] - [ 0.0000137300000000, 0.0000180900000000, 0.0005367300000000 ] - [ 0.0000125300000000, -0.0000037300000000, 0.0002080500000000 ] - [ 0.0000015400000000, -0.0000021800000000, 0.0002084800000000 ] - [ 0.0000044600000000, 0.0000002100000000, 0.0002030400000000 ] - [ 0.0000071600000000, -0.0000076200000000, 0.0002130800000000 ] - [ -0.0004591800000000, 0.0000042600000000, 0.0005386800000000 ] - [ 0.0000136500000000, 0.0000031300000000, 0.0005436600000000 ] - [ 0.0021908800000000, -0.0015313700000000, 0.0045505300000000 ] - [ 0.0021905800000000, 0.0015287500000000, -0.0034539300000000 ] - [ -0.0000050000000000, 0.0000030900000000, -0.0001649600000000 ] - [ -0.0000069400000000, 0.0000041300000000, -0.0001631600000000 ] - [ -0.0000070500000000, 0.0000030400000000, -0.0001649000000000 ] - [ -0.0000048500000000, 0.0000021400000000, -0.0001647000000000 ] - [ -0.0000087900000000, 0.0000584300000000, 0.0004178500000000 ] - [ -0.0000071900000000, -0.0000495800000000, 0.0001588700000000 ] - [ 0.0004248500000000, 0.0000018000000000, 0.0002900600000000 ] - [ -0.0001012600000000, 0.0000026100000000, 0.0002907300000000 ] - [ 0.0000114800000000, -0.0000034000000000, -0.0001096000000000 ] - [ 0.0000016600000000, -0.0000016300000000, -0.0001103600000000 ] - [ 0.0000038900000000, -0.0000018300000000, -0.0001046800000000 ] - [ 0.0000067500000000, -0.0000061300000000, -0.0001152800000000 ]- atom: 117 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008340900000000 ] - [ 0.0000000000000000, 0.0000026400000000, -0.0008144400000000 ] - [ -0.0000022900000000, -0.0000013200000000, -0.0008144400000000 ] - [ 0.0000022900000000, -0.0000013200000000, -0.0008144400000000 ] - [ -0.0000062300000000, -0.0000036000000000, 0.0000576600000000 ] - [ 0.0000062300000000, -0.0000036000000000, 0.0000576600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004913500000000 ] - [ 0.0000000000000000, 0.0000071900000000, 0.0000576600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0483455900000000 ] - [ 0.0000000000000000, -0.0008118400000000, 0.0026516000000000 ] - [ 0.0007030800000000, 0.0004059200000000, 0.0026516000000000 ] - [ -0.0007030800000000, 0.0004059200000000, 0.0026516000000000 ] - [ 0.0000000000000000, 0.0008319800000000, -0.0002901700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010432700000000 ] - [ 0.0007205100000000, -0.0004159900000000, -0.0002901700000000 ] - [ -0.0007205100000000, -0.0004159900000000, -0.0002901700000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0000087200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000096800000000 ] - [ -0.0000000800000000, 0.0000000400000000, -0.0000087200000000 ] - [ 0.0000000800000000, 0.0000000400000000, -0.0000087200000000 ] - [ 0.0000000000000000, -0.0000862600000000, -0.0002039700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002889400000000 ] - [ -0.0000747000000000, 0.0000431300000000, -0.0002039700000000 ] - [ 0.0000747000000000, 0.0000431300000000, -0.0002039700000000 ] - [ 0.0000006000000000, 0.0000003500000000, -0.0005741500000000 ] - [ -0.0000006000000000, 0.0000003500000000, -0.0005741500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005711700000000 ] - [ 0.0000000000000000, -0.0000007000000000, -0.0005741500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006036700000000 ] - [ 0.0000000000000000, 0.0000003400000000, -0.0006028700000000 ] - [ -0.0000003000000000, -0.0000001700000000, -0.0006028700000000 ] - [ 0.0000003000000000, -0.0000001700000000, -0.0006028700000000 ] - [ -0.0113201900000000, -0.0065357200000000, 0.0103975700000000 ] - [ 0.0113201900000000, -0.0065357200000000, 0.0103975700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028516700000000 ] - [ 0.0000000000000000, 0.0130714300000000, 0.0103975700000000 ] - [ 0.0000000000000000, -0.0000264900000000, -0.0007511000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007057600000000 ] - [ -0.0000229400000000, 0.0000132400000000, -0.0007511000000000 ] - [ 0.0000229400000000, 0.0000132400000000, -0.0007511000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003648700000000 ] - [ 0.0000000000000000, -0.0005186600000000, -0.0004291600000000 ] - [ 0.0004491700000000, 0.0002593300000000, -0.0004291600000000 ] - [ -0.0004491700000000, 0.0002593300000000, -0.0004291600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000511200000000 ] - [ 0.0000000000000000, -0.0000018400000000, 0.0000510400000000 ] - [ 0.0000015900000000, 0.0000009200000000, 0.0000510400000000 ] - [ -0.0000015900000000, 0.0000009200000000, 0.0000510400000000 ] - [ 0.0000002900000000, 0.0000001700000000, -0.0011476400000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0011476400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011476100000000 ] - [ 0.0000000000000000, -0.0000003400000000, -0.0011476400000000 ] - [ -0.0000001500000000, -0.0000000900000000, -0.0009226600000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0009226600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009221200000000 ] - [ 0.0000000000000000, 0.0000001700000000, -0.0009226600000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0006869800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006865000000000 ] - [ 0.0000002700000000, -0.0000001600000000, -0.0006869800000000 ] - [ -0.0000002700000000, -0.0000001600000000, -0.0006869800000000 ] - [ 0.0000008900000000, 0.0000005100000000, -0.0003480900000000 ] - [ -0.0000008900000000, 0.0000005100000000, -0.0003480900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003564600000000 ] - [ 0.0000000000000000, -0.0000010300000000, -0.0003480900000000 ] - [ 0.0000000000000000, 0.0010694700000000, -0.0004043000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005044800000000 ] - [ 0.0009261900000000, -0.0005347300000000, -0.0004043000000000 ] - [ -0.0009261900000000, -0.0005347300000000, -0.0004043000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009131400000000 ] - [ 0.0000000000000000, -0.0000005800000000, -0.0009117500000000 ] - [ 0.0000005000000000, 0.0000002900000000, -0.0009117500000000 ] - [ -0.0000005000000000, 0.0000002900000000, -0.0009117500000000 ] - [ -0.0000012000000000, -0.0000006900000000, 0.0004514100000000 ] - [ 0.0000012000000000, -0.0000006900000000, 0.0004514100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004469500000000 ] - [ 0.0000000000000000, 0.0000013800000000, 0.0004514100000000 ] - [ 0.0000000000000000, 0.0000022600000000, 0.0000367900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000353200000000 ] - [ 0.0000019600000000, -0.0000011300000000, 0.0000367900000000 ] - [ -0.0000019600000000, -0.0000011300000000, 0.0000367900000000 ] - [ 0.0000000000000000, -0.0001454700000000, 0.0003931100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018627200000000 ] - [ -0.0001259800000000, 0.0000727300000000, 0.0003931100000000 ] - [ 0.0001259800000000, 0.0000727300000000, 0.0003931100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003958500000000 ] - [ 0.0000000000000000, 0.0000013700000000, 0.0003944200000000 ] - [ -0.0000011900000000, -0.0000006900000000, 0.0003944200000000 ] - [ 0.0000011900000000, -0.0000006900000000, 0.0003944200000000 ] - [ -0.0039881400000000, -0.0023025500000000, 0.0049064800000000 ] - [ 0.0039881400000000, -0.0023025500000000, 0.0049064800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005038900000000 ] - [ 0.0000000000000000, 0.0046051100000000, 0.0049064800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005333800000000 ] - [ 0.0000000000000000, -0.0000006400000000, 0.0005368600000000 ] - [ 0.0000005600000000, 0.0000003200000000, 0.0005368600000000 ] - [ -0.0000005600000000, 0.0000003200000000, 0.0005368600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001224900000000 ] - [ 0.0000000000000000, 0.0000836500000000, 0.0003031400000000 ] - [ -0.0000724500000000, -0.0000418300000000, 0.0003031400000000 ] - [ 0.0000724500000000, -0.0000418300000000, 0.0003031400000000 ] - [ 0.0000008200000000, 0.0000004800000000, 0.0006293600000000 ] - [ -0.0000008200000000, 0.0000004800000000, 0.0006293600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006215000000000 ] - [ 0.0000000000000000, -0.0000009500000000, 0.0006293600000000 ] - [ 0.0000000000000000, 0.0000003900000000, 0.0002103500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002144600000000 ] - [ 0.0000003400000000, -0.0000002000000000, 0.0002103500000000 ] - [ -0.0000003400000000, -0.0000002000000000, 0.0002103500000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0003840600000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0003840600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003824400000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0003840600000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0000483300000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0000483300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000489200000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0000483300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1022815000000000 ] - [ 0.0000000000000000, -0.0007700600000000, -0.0026810500000000 ] - [ 0.0006668900000000, 0.0003850300000000, -0.0026810500000000 ] - [ -0.0006668900000000, 0.0003850300000000, -0.0026810500000000 ] - [ 0.0000000000000000, -0.0000605600000000, 0.0009380900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008583200000000 ] - [ -0.0000524500000000, 0.0000302800000000, 0.0009380900000000 ] - [ 0.0000524500000000, 0.0000302800000000, 0.0009380900000000 ] - [ 0.0000000000000000, 0.0000201200000000, 0.0006188600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006134400000000 ] - [ 0.0000174300000000, -0.0000100600000000, 0.0006188600000000 ] - [ -0.0000174300000000, -0.0000100600000000, 0.0006188600000000 ] - [ 0.0000000000000000, 0.0024087100000000, 0.0047276300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007520300000000 ] - [ 0.0020860000000000, -0.0012043500000000, 0.0047276300000000 ] - [ -0.0020860000000000, -0.0012043500000000, 0.0047276300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002490400000000 ] - [ 0.0000000000000000, 0.0000015600000000, 0.0002503700000000 ] - [ -0.0000013500000000, -0.0000007800000000, 0.0002503700000000 ] - [ 0.0000013500000000, -0.0000007800000000, 0.0002503700000000 ] - [ 0.0000348000000000, 0.0000200900000000, 0.0003505800000000 ] - [ -0.0000348000000000, 0.0000200900000000, 0.0003505800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018310200000000 ] - [ 0.0000000000000000, -0.0000401900000000, 0.0003505800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003372000000000 ] - [ 0.0000000000000000, 0.0000045400000000, 0.0002862100000000 ] - [ -0.0000039300000000, -0.0000022700000000, 0.0002862100000000 ] - [ 0.0000039300000000, -0.0000022700000000, 0.0002862100000000 ]- atom: 117 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000174700000000 ] - [ 0.0000000000000000, -0.0000010600000000, -0.0000028200000000 ] - [ 0.0000009200000000, 0.0000005300000000, -0.0000028200000000 ] - [ -0.0000009200000000, 0.0000005300000000, -0.0000028200000000 ] - [ 0.0000058100000000, 0.0000033600000000, 0.0006208000000000 ] - [ -0.0000058100000000, 0.0000033600000000, 0.0006208000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011665000000000 ] - [ 0.0000000000000000, -0.0000067100000000, 0.0006208000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0457590400000000 ] - [ 0.0000000000000000, 0.0008140000000000, -0.0026177900000000 ] - [ -0.0007049400000000, -0.0004070000000000, -0.0026177900000000 ] - [ 0.0007049400000000, -0.0004070000000000, -0.0026177900000000 ] - [ 0.0000000000000000, -0.0008245300000000, 0.0011990600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001330200000000 ] - [ -0.0007140700000000, 0.0004122700000000, 0.0011990600000000 ] - [ 0.0007140700000000, 0.0004122700000000, 0.0011990600000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0008207900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008213600000000 ] - [ -0.0000001300000000, 0.0000000700000000, 0.0008207900000000 ] - [ 0.0000001300000000, 0.0000000700000000, 0.0008207900000000 ] - [ 0.0000000000000000, 0.0000866900000000, 0.0005953000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006813600000000 ] - [ 0.0000750800000000, -0.0000433500000000, 0.0005953000000000 ] - [ -0.0000750800000000, -0.0000433500000000, 0.0005953000000000 ] - [ -0.0000003300000000, -0.0000001900000000, 0.0002551600000000 ] - [ 0.0000003300000000, -0.0000001900000000, 0.0002551600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002538300000000 ] - [ 0.0000000000000000, 0.0000003800000000, 0.0002551600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002354300000000 ] - [ 0.0000000000000000, 0.0000013400000000, 0.0002346700000000 ] - [ -0.0000011600000000, -0.0000006700000000, 0.0002346700000000 ] - [ 0.0000011600000000, -0.0000006700000000, 0.0002346700000000 ] - [ 0.0114724500000000, 0.0066236200000000, -0.0095454900000000 ] - [ -0.0114724500000000, 0.0066236200000000, -0.0095454900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021393900000000 ] - [ 0.0000000000000000, -0.0132472400000000, -0.0095454900000000 ] - [ 0.0000000000000000, 0.0000263400000000, 0.0000958800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000513300000000 ] - [ 0.0000228100000000, -0.0000131700000000, 0.0000958800000000 ] - [ -0.0000228100000000, -0.0000131700000000, 0.0000958800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003842100000000 ] - [ 0.0000000000000000, 0.0005220100000000, 0.0004483500000000 ] - [ -0.0004520800000000, -0.0002610100000000, 0.0004483500000000 ] - [ 0.0004520800000000, -0.0002610100000000, 0.0004483500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008734400000000 ] - [ 0.0000000000000000, 0.0000014400000000, 0.0008732600000000 ] - [ -0.0000012500000000, -0.0000007200000000, 0.0008732600000000 ] - [ 0.0000012500000000, -0.0000007200000000, 0.0008732600000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0003086500000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0003086500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003097500000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0003086500000000 ] - [ 0.0000005300000000, 0.0000003100000000, -0.0001006000000000 ] - [ -0.0000005300000000, 0.0000003100000000, -0.0001006000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000991500000000 ] - [ 0.0000000000000000, -0.0000006200000000, -0.0001006000000000 ] - [ 0.0000000000000000, 0.0000015100000000, 0.0001464900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001455400000000 ] - [ 0.0000013100000000, -0.0000007500000000, 0.0001464900000000 ] - [ -0.0000013100000000, -0.0000007500000000, 0.0001464900000000 ] - [ -0.0000014000000000, -0.0000008100000000, 0.0004763000000000 ] - [ 0.0000014000000000, -0.0000008100000000, 0.0004763000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004845900000000 ] - [ 0.0000000000000000, 0.0000016200000000, 0.0004763000000000 ] - [ 0.0000000000000000, -0.0010735700000000, 0.0002336000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006824000000000 ] - [ -0.0009297400000000, 0.0005367900000000, 0.0002336000000000 ] - [ 0.0009297400000000, 0.0005367900000000, 0.0002336000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000944500000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0000960300000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0000960300000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0000960300000000 ] - [ 0.0000006900000000, 0.0000004000000000, -0.0003795800000000 ] - [ -0.0000006900000000, 0.0000004000000000, -0.0003795800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003745800000000 ] - [ 0.0000000000000000, -0.0000008000000000, -0.0003795800000000 ] - [ 0.0000000000000000, -0.0000079000000000, -0.0007687000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007695300000000 ] - [ -0.0000068400000000, 0.0000039500000000, -0.0007687000000000 ] - [ 0.0000068400000000, 0.0000039500000000, -0.0007687000000000 ] - [ 0.0000000000000000, 0.0001437900000000, 0.0002748500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012070200000000 ] - [ 0.0001245200000000, -0.0000718900000000, 0.0002748500000000 ] - [ -0.0001245200000000, -0.0000718900000000, 0.0002748500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004424500000000 ] - [ 0.0000000000000000, -0.0000046800000000, -0.0004424300000000 ] - [ 0.0000040500000000, 0.0000023400000000, -0.0004424300000000 ] - [ -0.0000040500000000, 0.0000023400000000, -0.0004424300000000 ] - [ 0.0040258300000000, 0.0023243200000000, -0.0033903800000000 ] - [ -0.0040258300000000, 0.0023243200000000, -0.0033903800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020893200000000 ] - [ 0.0000000000000000, -0.0046486300000000, -0.0033903800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002737800000000 ] - [ 0.0000000000000000, 0.0000004600000000, -0.0002807000000000 ] - [ -0.0000004000000000, -0.0000002300000000, -0.0002807000000000 ] - [ 0.0000004000000000, -0.0000002300000000, -0.0002807000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004314600000000 ] - [ 0.0000000000000000, -0.0000840700000000, -0.0006125200000000 ] - [ 0.0000728100000000, 0.0000420400000000, -0.0006125200000000 ] - [ -0.0000728100000000, 0.0000420400000000, -0.0006125200000000 ] - [ -0.0000033800000000, -0.0000019500000000, -0.0001914700000000 ] - [ 0.0000033800000000, -0.0000019500000000, -0.0001914700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001844700000000 ] - [ 0.0000000000000000, 0.0000039100000000, -0.0001914700000000 ] - [ 0.0000000000000000, 0.0000013400000000, -0.0006209500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006251400000000 ] - [ 0.0000011600000000, -0.0000006700000000, -0.0006209500000000 ] - [ -0.0000011600000000, -0.0000006700000000, -0.0006209500000000 ] - [ -0.0000011200000000, -0.0000006500000000, -0.0012162000000000 ] - [ 0.0000011200000000, -0.0000006500000000, -0.0012162000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012171700000000 ] - [ 0.0000000000000000, 0.0000012900000000, -0.0012162000000000 ] - [ -0.0000035700000000, -0.0000020600000000, -0.0009017600000000 ] - [ 0.0000035700000000, -0.0000020600000000, -0.0009017600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009011200000000 ] - [ 0.0000000000000000, 0.0000041200000000, -0.0009017600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0995975200000000 ] - [ 0.0000000000000000, 0.0007628300000000, 0.0029790600000000 ] - [ -0.0006606300000000, -0.0003814200000000, 0.0029790600000000 ] - [ 0.0006606300000000, -0.0003814200000000, 0.0029790600000000 ] - [ 0.0000000000000000, 0.0000610900000000, 0.0000680500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001498100000000 ] - [ 0.0000529100000000, -0.0000305500000000, 0.0000680500000000 ] - [ -0.0000529100000000, -0.0000305500000000, 0.0000680500000000 ] - [ 0.0000000000000000, -0.0000202700000000, -0.0002208100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002152100000000 ] - [ -0.0000175500000000, 0.0000101300000000, -0.0002208100000000 ] - [ 0.0000175500000000, 0.0000101300000000, -0.0002208100000000 ] - [ 0.0000000000000000, -0.0023649400000000, -0.0036071100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018031300000000 ] - [ -0.0020481000000000, 0.0011824700000000, -0.0036071100000000 ] - [ 0.0020481000000000, 0.0011824700000000, -0.0036071100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005774700000000 ] - [ 0.0000000000000000, -0.0000009300000000, -0.0005766300000000 ] - [ 0.0000008000000000, 0.0000004600000000, -0.0005766300000000 ] - [ -0.0000008000000000, 0.0000004600000000, -0.0005766300000000 ] - [ -0.0000361700000000, -0.0000208800000000, 0.0002234100000000 ] - [ 0.0000361700000000, -0.0000208800000000, 0.0002234100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012464700000000 ] - [ 0.0000000000000000, 0.0000417600000000, 0.0002234100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005523100000000 ] - [ 0.0000000000000000, -0.0000045700000000, -0.0005042200000000 ] - [ 0.0000039600000000, 0.0000022900000000, -0.0005042200000000 ] - [ -0.0000039600000000, 0.0000022900000000, -0.0005042200000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000071700000000, 0.0000094100000000, -0.0004069900000000 ] - [ -0.0001028400000000, 0.0000089000000000, -0.0004075500000000 ] - [ 0.0002596700000000, -0.0001436100000000, 0.0006543700000000 ] - [ 0.0002592800000000, 0.0001642800000000, -0.0014699000000000 ] - [ 0.0301855500000000, -0.0166084500000000, -0.0126239900000000 ] - [ 0.0289667300000000, 0.0157125900000000, 0.0126556900000000 ] - [ 0.0015909000000000, -0.0000904700000000, 0.0003460500000000 ] - [ -0.0004561900000000, 0.0000022800000000, 0.0003402900000000 ] - [ 0.0001739900000000, -0.0000091500000000, 0.0000102900000000 ] - [ -0.0001399800000000, -0.0000091000000000, 0.0000103100000000 ] - [ -0.0000054600000000, 0.0000947100000000, -0.0000006100000000 ] - [ -0.0000052500000000, -0.0001123600000000, 0.0000212000000000 ] - [ 0.0006628800000000, -0.0000076300000000, 0.0004576600000000 ] - [ -0.0008530600000000, -0.0000075300000000, 0.0004535700000000 ] - [ 0.0002114500000000, 0.0006059100000000, 0.0003798600000000 ] - [ 0.0002125500000000, -0.0006239400000000, 0.0005261600000000 ] - [ -0.0000220100000000, 0.0000091100000000, 0.0004021000000000 ] - [ -0.0000101300000000, 0.0000089900000000, 0.0004020100000000 ] - [ -0.0000137200000000, 0.0000069300000000, 0.0003695100000000 ] - [ -0.0000138700000000, 0.0000111900000000, 0.0004344800000000 ] - [ -0.0000146700000000, 0.0000099600000000, 0.0001954500000000 ] - [ -0.0000154100000000, 0.0000099300000000, 0.0001952500000000 ] - [ -0.0000148800000000, 0.0000102000000000, 0.0001952200000000 ] - [ -0.0000149700000000, 0.0000096200000000, 0.0001954100000000 ] - [ -0.0000179000000000, -0.0000284900000000, -0.0002283900000000 ] - [ -0.0000178100000000, 0.0000473000000000, -0.0000937000000000 ] - [ -0.0000834900000000, 0.0000094300000000, -0.0001612900000000 ] - [ 0.0000996000000000, 0.0000095300000000, -0.0001611100000000 ] - [ -0.0000186100000000, 0.0000099000000000, -0.0001856200000000 ] - [ -0.0000124700000000, 0.0000096900000000, -0.0001857800000000 ] - [ -0.0000155600000000, 0.0000081000000000, -0.0001898300000000 ] - [ -0.0000159300000000, 0.0000114100000000, -0.0001814900000000 ] - [ 0.0000167200000000, -0.0000301300000000, 0.0003644400000000 ] - [ 0.0000167900000000, 0.0000125400000000, 0.0003600200000000 ] - [ -0.0000202100000000, -0.0000087200000000, 0.0003623200000000 ] - [ 0.0000490300000000, -0.0000086700000000, 0.0003622800000000 ] - [ 0.0029061400000000, -0.0000160500000000, -0.0004216500000000 ] - [ -0.0011968800000000, 0.0000081900000000, -0.0003325300000000 ] - [ 0.0000084300000000, 0.0007063100000000, -0.0003983800000000 ] - [ 0.0000100900000000, -0.0006865300000000, -0.0002497200000000 ] - [ 0.0000136200000000, -0.0000085200000000, 0.0000101100000000 ] - [ 0.0000169600000000, -0.0000085800000000, 0.0000101400000000 ] - [ 0.0000153600000000, -0.0000095500000000, 0.0000102900000000 ] - [ 0.0000152500000000, -0.0000076000000000, 0.0000099200000000 ] - [ -0.0000141200000000, 0.0000084300000000, 0.0004627600000000 ] - [ -0.0000140900000000, 0.0000083400000000, 0.0004627800000000 ] - [ -0.0000140200000000, 0.0000082200000000, 0.0004629500000000 ] - [ -0.0000141700000000, 0.0000082600000000, 0.0004627200000000 ] - [ 0.0000148100000000, -0.0000081200000000, -0.0007293800000000 ] - [ 0.0000148400000000, -0.0000081500000000, -0.0007292100000000 ] - [ 0.0000148400000000, -0.0000079500000000, -0.0007291700000000 ] - [ 0.0000147000000000, -0.0000079500000000, -0.0007292000000000 ] - [ 0.0000155300000000, -0.0000085600000000, -0.0005084400000000 ] - [ 0.0000153500000000, -0.0000087700000000, -0.0005111700000000 ] - [ 0.0000156100000000, -0.0000086400000000, -0.0005098500000000 ] - [ 0.0000154900000000, -0.0000087600000000, -0.0005097700000000 ] - [ 0.0000155600000000, -0.0000087700000000, -0.0002766800000000 ] - [ 0.0000156000000000, -0.0000087300000000, -0.0002766100000000 ] - [ 0.0000154900000000, -0.0000086500000000, -0.0002765600000000 ] - [ 0.0000155200000000, -0.0000085200000000, -0.0002765500000000 ] - [ -0.0000152700000000, 0.0000086400000000, 0.0000612200000000 ] - [ -0.0000155200000000, 0.0000085700000000, 0.0000612100000000 ] - [ -0.0000153400000000, 0.0000086600000000, 0.0000613300000000 ] - [ -0.0000154500000000, 0.0000085000000000, 0.0000612600000000 ] - [ 0.0000092100000000, -0.0000092300000000, -0.0000792400000000 ] - [ 0.0000233300000000, -0.0000091700000000, -0.0000793600000000 ] - [ 0.0000160500000000, -0.0000132400000000, -0.0000786100000000 ] - [ 0.0000161300000000, -0.0000048700000000, -0.0000799700000000 ] - [ 0.0000154900000000, -0.0000091100000000, -0.0004993800000000 ] - [ 0.0000153700000000, -0.0000090500000000, -0.0004995200000000 ] - [ 0.0000153700000000, -0.0000091700000000, -0.0004996000000000 ] - [ 0.0000154600000000, -0.0000092600000000, -0.0004994300000000 ] - [ 0.0000049500000000, -0.0000034900000000, 0.0000353500000000 ] - [ 0.0000053100000000, -0.0000033900000000, 0.0000349900000000 ] - [ 0.0000049500000000, -0.0000039600000000, 0.0000352000000000 ] - [ 0.0000051000000000, -0.0000037900000000, 0.0000348300000000 ] - [ -0.0000061400000000, 0.0000029400000000, -0.0003716400000000 ] - [ -0.0000057000000000, 0.0000032600000000, -0.0003715800000000 ] - [ -0.0000059800000000, 0.0000032100000000, -0.0003712900000000 ] - [ -0.0000055100000000, 0.0000035200000000, -0.0003720100000000 ] - [ -0.0000050000000000, 0.0000028700000000, 0.0003277800000000 ] - [ -0.0000067500000000, 0.0000027400000000, 0.0003274500000000 ] - [ -0.0000054800000000, 0.0000034600000000, 0.0003301300000000 ] - [ -0.0000057800000000, 0.0000020500000000, 0.0003255700000000 ] - [ 0.0000008200000000, -0.0000025100000000, -0.0000203400000000 ] - [ 0.0000131700000000, -0.0000034100000000, -0.0000201900000000 ] - [ 0.0000065100000000, -0.0000062900000000, -0.0000111700000000 ] - [ 0.0000045400000000, -0.0000009100000000, -0.0000294800000000 ] - [ -0.0000068500000000, 0.0000075300000000, 0.0007909100000000 ] - [ -0.0000063100000000, -0.0000012000000000, 0.0007688300000000 ] - [ 0.0000010200000000, 0.0000036600000000, 0.0007797900000000 ] - [ -0.0000117900000000, 0.0000038700000000, 0.0007796600000000 ] - [ -0.0000053900000000, 0.0000025900000000, 0.0001234200000000 ] - [ -0.0000060800000000, 0.0000028000000000, 0.0001235800000000 ] - [ -0.0000060700000000, 0.0000029000000000, 0.0001236900000000 ] - [ -0.0000056200000000, 0.0000024200000000, 0.0001227900000000 ] - [ 0.0000059100000000, -0.0000034100000000, -0.0001545800000000 ] - [ 0.0000048800000000, -0.0000035900000000, -0.0001546400000000 ] - [ 0.0000055400000000, -0.0000031500000000, -0.0001539300000000 ] - [ 0.0000052600000000, -0.0000036100000000, -0.0001551500000000 ] - [ 0.0000039200000000, -0.0000550600000000, 0.0003422000000000 ] - [ 0.0000037300000000, 0.0000483700000000, 0.0000884800000000 ] - [ -0.0000856400000000, -0.0000033800000000, 0.0002160900000000 ] - [ 0.0004238600000000, -0.0000032200000000, 0.0002158600000000 ] - [ 0.0000031000000000, -0.0000036000000000, -0.0001991900000000 ] - [ 0.0000072800000000, -0.0000036200000000, -0.0002001700000000 ] - [ 0.0000205000000000, 0.0000036500000000, -0.0001101300000000 ] - [ 0.0000203100000000, -0.0000113100000000, -0.0002896100000000 ] - [ 0.0000052300000000, -0.0000029200000000, -0.0008006300000000 ] - [ 0.0000058600000000, -0.0000036800000000, -0.0007937500000000 ] - [ 0.0000061700000000, -0.0000038000000000, -0.0007973600000000 ] - [ 0.0000046000000000, -0.0000031400000000, -0.0007968800000000 ] - [ -0.0000060100000000, 0.0000030200000000, -0.0004663900000000 ] - [ -0.0000064500000000, 0.0000036600000000, -0.0004664200000000 ] - [ -0.0000067900000000, 0.0000036900000000, -0.0004662600000000 ] - [ -0.0000056500000000, 0.0000034800000000, -0.0004666000000000 ] - [ -0.0000349000000000, 0.0000033500000000, 0.0001480600000000 ] - [ 0.0000156000000000, 0.0000030700000000, 0.0001478600000000 ] - [ 0.0000026400000000, -0.0000186000000000, 0.0000936200000000 ] - [ 0.0000021700000000, 0.0000244400000000, 0.0002030100000000 ] - [ -0.0953129600000000, 0.0010376700000000, 0.0012392600000000 ] - [ 0.0166333600000000, 0.0000000900000000, 0.0005014600000000 ] - [ 0.0044066000000000, -0.0070652000000000, -0.0001684500000000 ] - [ 0.0044000600000000, 0.0070567700000000, 0.0011696000000000 ] - [ 0.0000059100000000, -0.0000031200000000, 0.0002022400000000 ] - [ 0.0000061100000000, -0.0000034500000000, 0.0002026500000000 ] - [ 0.0000063800000000, -0.0000034200000000, 0.0002025600000000 ] - [ 0.0000057700000000, -0.0000034200000000, 0.0002026800000000 ] - [ -0.0000458700000000, 0.0000028400000000, 0.0005370300000000 ] - [ 0.0002125900000000, 0.0000035100000000, 0.0005366000000000 ] - [ -0.0000468000000000, -0.0001467100000000, 0.0002986700000000 ] - [ -0.0000463500000000, 0.0001525000000000, 0.0007742800000000 ] - [ -0.0000060000000000, 0.0000031600000000, -0.0001629800000000 ] - [ -0.0000060600000000, 0.0000029300000000, -0.0001633000000000 ] - [ -0.0000059100000000, 0.0000031200000000, -0.0001630000000000 ] - [ -0.0000060500000000, 0.0000032600000000, -0.0001628000000000 ] - [ 0.0017154300000000, -0.0014551000000000, -0.0017697500000000 ] - [ 0.0017082700000000, 0.0014498500000000, 0.0023406400000000 ] - [ -0.0008039200000000, 0.0000002400000000, 0.0002935600000000 ] - [ 0.0000609200000000, 0.0000040200000000, 0.0002915900000000 ] - [ -0.0004423400000000, -0.0000045100000000, -0.0001164000000000 ] - [ 0.0000250100000000, -0.0000042700000000, -0.0001104100000000 ] - [ 0.0021948500000000, -0.0015205400000000, -0.0040906700000000 ] - [ 0.0021936000000000, 0.0015239700000000, 0.0038807800000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0008324900000000, -0.0011531900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001925300000000 ] - [ -0.0007209500000000, 0.0004162400000000, -0.0011531900000000 ] - [ 0.0007209500000000, 0.0004162400000000, -0.0011531900000000 ] - [ -0.0113244800000000, 0.0065381900000000, 0.0103468300000000 ] - [ 0.0113244800000000, 0.0065381900000000, 0.0103468300000000 ] - [ 0.0000000000000000, -0.0130763800000000, 0.0103468300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029421600000000 ] - [ 0.0000000000000000, 0.0001590500000000, -0.0003478100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005748100000000 ] - [ 0.0001377400000000, -0.0000795200000000, -0.0003478100000000 ] - [ -0.0001377400000000, -0.0000795200000000, -0.0003478100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005290500000000 ] - [ 0.0000000000000000, 0.0018449700000000, 0.0008056200000000 ] - [ -0.0015977900000000, -0.0009224800000000, 0.0008056200000000 ] - [ 0.0015977900000000, -0.0009224800000000, 0.0008056200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000495000000000 ] - [ 0.0000000000000000, -0.0000243900000000, -0.0000261600000000 ] - [ 0.0000211200000000, 0.0000121900000000, -0.0000261600000000 ] - [ -0.0000211200000000, 0.0000121900000000, -0.0000261600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002314700000000 ] - [ 0.0000000000000000, 0.0000006500000000, -0.0002311500000000 ] - [ -0.0000005600000000, -0.0000003200000000, -0.0002311500000000 ] - [ 0.0000005600000000, -0.0000003200000000, -0.0002311500000000 ] - [ 0.0000561900000000, -0.0000324400000000, -0.0004466100000000 ] - [ -0.0000561900000000, -0.0000324400000000, -0.0004466100000000 ] - [ 0.0000000000000000, 0.0000648800000000, -0.0004466100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009881900000000 ] - [ 0.0000000000000000, 0.0000013400000000, -0.0006033000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006234500000000 ] - [ 0.0000011600000000, -0.0000006700000000, -0.0006033000000000 ] - [ -0.0000011600000000, -0.0000006700000000, -0.0006033000000000 ] - [ 0.0000255900000000, -0.0000147800000000, -0.0000508500000000 ] - [ -0.0000255900000000, -0.0000147800000000, -0.0000508500000000 ] - [ 0.0000000000000000, 0.0000295500000000, -0.0000508500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000730400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0479891900000000 ] - [ 0.0000000000000000, 0.0008173100000000, 0.0023279000000000 ] - [ -0.0007078100000000, -0.0004086600000000, 0.0023279000000000 ] - [ 0.0007078100000000, -0.0004086600000000, 0.0023279000000000 ] - [ 0.0000000000000000, 0.0000012100000000, -0.0004102300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004096500000000 ] - [ 0.0000010500000000, -0.0000006000000000, -0.0004102300000000 ] - [ -0.0000010500000000, -0.0000006000000000, -0.0004102300000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0000446900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000443000000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0000446900000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0000446900000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0011529500000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0011529500000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0011529500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011527700000000 ] - [ -0.0000003300000000, 0.0000001900000000, -0.0009315000000000 ] - [ 0.0000003300000000, 0.0000001900000000, -0.0009315000000000 ] - [ 0.0000000000000000, -0.0000003800000000, -0.0009315000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009297100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006858500000000 ] - [ 0.0000000000000000, -0.0000003000000000, -0.0006848100000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0006848100000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0006848100000000 ] - [ -0.0000004100000000, 0.0000002400000000, -0.0003483500000000 ] - [ 0.0000004100000000, 0.0000002400000000, -0.0003483500000000 ] - [ 0.0000000000000000, -0.0000004700000000, -0.0003483500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003485000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005030800000000 ] - [ 0.0000000000000000, 0.0000010800000000, -0.0004998400000000 ] - [ -0.0000009400000000, -0.0000005400000000, -0.0004998400000000 ] - [ 0.0000009400000000, -0.0000005400000000, -0.0004998400000000 ] - [ 0.0000000000000000, 0.0000007300000000, -0.0009209500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009214100000000 ] - [ 0.0000006300000000, -0.0000003700000000, -0.0009209500000000 ] - [ -0.0000006300000000, -0.0000003700000000, -0.0009209500000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0004522800000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0004522800000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0004522800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004547700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000389500000000 ] - [ 0.0000000000000000, -0.0000028200000000, 0.0000365700000000 ] - [ 0.0000024400000000, 0.0000014100000000, 0.0000365700000000 ] - [ -0.0000024400000000, 0.0000014100000000, 0.0000365700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007402600000000 ] - [ 0.0000000000000000, -0.0000007900000000, 0.0007464400000000 ] - [ 0.0000006800000000, 0.0000003900000000, 0.0007464400000000 ] - [ -0.0000006800000000, 0.0000003900000000, 0.0007464400000000 ] - [ 0.0000000000000000, -0.0000021900000000, 0.0003906000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004420200000000 ] - [ -0.0000019000000000, 0.0000011000000000, 0.0003906000000000 ] - [ 0.0000019000000000, 0.0000011000000000, 0.0003906000000000 ] - [ -0.0000042300000000, 0.0000024400000000, 0.0011920000000000 ] - [ 0.0000042300000000, 0.0000024400000000, 0.0011920000000000 ] - [ 0.0000000000000000, -0.0000048900000000, 0.0011920000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011852200000000 ] - [ 0.0000000000000000, -0.0000005000000000, 0.0005359500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005395100000000 ] - [ -0.0000004300000000, 0.0000002500000000, 0.0005359500000000 ] - [ 0.0000004300000000, 0.0000002500000000, 0.0005359500000000 ] - [ 0.0000000000000000, -0.0000002300000000, 0.0002631700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002634900000000 ] - [ -0.0000002000000000, 0.0000001200000000, 0.0002631700000000 ] - [ 0.0000002000000000, 0.0000001200000000, 0.0002631700000000 ] - [ 0.0000271100000000, -0.0000156500000000, 0.0002738000000000 ] - [ -0.0000271100000000, -0.0000156500000000, 0.0002738000000000 ] - [ 0.0000000000000000, 0.0000313000000000, 0.0002738000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017559500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000821500000000 ] - [ 0.0000000000000000, -0.0000535800000000, 0.0002616600000000 ] - [ 0.0000464000000000, 0.0000267900000000, 0.0002616600000000 ] - [ -0.0000464000000000, 0.0000267900000000, 0.0002616600000000 ] - [ -0.0000004600000000, 0.0000002700000000, -0.0003751500000000 ] - [ 0.0000004600000000, 0.0000002700000000, -0.0003751500000000 ] - [ 0.0000000000000000, -0.0000005300000000, -0.0003751500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003815400000000 ] - [ -0.0000009000000000, 0.0000005200000000, -0.0000411500000000 ] - [ 0.0000009000000000, 0.0000005200000000, -0.0000411500000000 ] - [ 0.0000000000000000, -0.0000010400000000, -0.0000411500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000409200000000 ] - [ 0.0000000000000000, -0.0000463400000000, 0.0005838400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005029600000000 ] - [ -0.0000401300000000, 0.0000231700000000, 0.0005838400000000 ] - [ 0.0000401300000000, 0.0000231700000000, 0.0005838400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1026802300000000 ] - [ 0.0000000000000000, 0.0007781800000000, -0.0023468800000000 ] - [ -0.0006739300000000, -0.0003890900000000, -0.0023468800000000 ] - [ 0.0006739300000000, -0.0003890900000000, -0.0023468800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006236300000000 ] - [ 0.0000000000000000, 0.0000017600000000, 0.0006225200000000 ] - [ -0.0000015300000000, -0.0000008800000000, 0.0006225200000000 ] - [ 0.0000015300000000, -0.0000008800000000, 0.0006225200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005817100000000 ] - [ 0.0000000000000000, -0.0003999300000000, 0.0011024200000000 ] - [ 0.0003463500000000, 0.0001999600000000, 0.0011024200000000 ] - [ -0.0003463500000000, 0.0001999600000000, 0.0011024200000000 ] - [ 0.0000000000000000, -0.0000004600000000, 0.0002551900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002550200000000 ] - [ -0.0000004000000000, 0.0000002300000000, 0.0002551900000000 ] - [ 0.0000004000000000, 0.0000002300000000, 0.0002551900000000 ] - [ -0.0034007600000000, 0.0019634300000000, 0.0045349000000000 ] - [ 0.0034007600000000, 0.0019634300000000, 0.0045349000000000 ] - [ 0.0000000000000000, -0.0039268600000000, 0.0045349000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010742500000000 ] - [ 0.0000000000000000, -0.0024245600000000, 0.0040876100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014147100000000 ] - [ -0.0020997300000000, 0.0012122800000000, 0.0040876100000000 ] - [ 0.0020997300000000, 0.0012122800000000, 0.0040876100000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0008258800000000, 0.0003365400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010076500000000 ] - [ 0.0007152300000000, -0.0004129400000000, 0.0003365400000000 ] - [ -0.0007152300000000, -0.0004129400000000, 0.0003365400000000 ] - [ 0.0114763200000000, -0.0066258500000000, -0.0095400000000000 ] - [ -0.0114763200000000, -0.0066258500000000, -0.0095400000000000 ] - [ 0.0000000000000000, 0.0132517100000000, -0.0095400000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022768200000000 ] - [ 0.0000000000000000, -0.0001611700000000, 0.0003792300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006067300000000 ] - [ -0.0001395800000000, 0.0000805900000000, 0.0003792300000000 ] - [ 0.0001395800000000, 0.0000805900000000, 0.0003792300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014236000000000 ] - [ 0.0000000000000000, -0.0018564200000000, 0.0000901300000000 ] - [ 0.0016077000000000, 0.0009282100000000, 0.0000901300000000 ] - [ -0.0016077000000000, 0.0009282100000000, 0.0000901300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007621900000000 ] - [ 0.0000000000000000, 0.0000263900000000, 0.0008379500000000 ] - [ -0.0000228600000000, -0.0000132000000000, 0.0008379500000000 ] - [ 0.0000228600000000, -0.0000132000000000, 0.0008379500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006171900000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0006164600000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0006164600000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0006164600000000 ] - [ -0.0000566300000000, 0.0000327000000000, 0.0001280700000000 ] - [ 0.0000566300000000, 0.0000327000000000, 0.0001280700000000 ] - [ 0.0000000000000000, -0.0000653900000000, 0.0001280700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006679100000000 ] - [ 0.0000000000000000, -0.0000034600000000, 0.0002312900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002517500000000 ] - [ -0.0000029900000000, 0.0000017300000000, 0.0002312900000000 ] - [ 0.0000029900000000, 0.0000017300000000, 0.0002312900000000 ] - [ -0.0000239300000000, 0.0000138200000000, 0.0007761300000000 ] - [ 0.0000239300000000, 0.0000138200000000, 0.0007761300000000 ] - [ 0.0000000000000000, -0.0000276400000000, 0.0007761300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007989500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0460816300000000 ] - [ 0.0000000000000000, -0.0008188200000000, -0.0029793900000000 ] - [ 0.0007091200000000, 0.0004094100000000, -0.0029793900000000 ] - [ -0.0007091200000000, 0.0004094100000000, -0.0029793900000000 ] - [ 0.0000000000000000, -0.0000006500000000, 0.0004279100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004281200000000 ] - [ -0.0000005600000000, 0.0000003200000000, 0.0004279100000000 ] - [ 0.0000005600000000, 0.0000003200000000, 0.0004279100000000 ] - [ 0.0000000000000000, 0.0000002700000000, 0.0008795200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008796800000000 ] - [ 0.0000002300000000, -0.0000001300000000, 0.0008795200000000 ] - [ -0.0000002300000000, -0.0000001300000000, 0.0008795200000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0003085700000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0003085700000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0003085700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003086800000000 ] - [ 0.0000002500000000, -0.0000001500000000, -0.0000917700000000 ] - [ -0.0000002500000000, -0.0000001500000000, -0.0000917700000000 ] - [ 0.0000000000000000, 0.0000002900000000, -0.0000917700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000952300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001409600000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0001411000000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0001411000000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0001411000000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0004801500000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0004801500000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0004801500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004802400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003420500000000 ] - [ 0.0000000000000000, -0.0000024700000000, 0.0003385700000000 ] - [ 0.0000021400000000, 0.0000012400000000, 0.0003385700000000 ] - [ -0.0000021400000000, 0.0000012400000000, 0.0003385700000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0000811600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000808700000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0000811600000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0000811600000000 ] - [ -0.0000004200000000, 0.0000002400000000, -0.0003846800000000 ] - [ 0.0000004200000000, 0.0000002400000000, -0.0003846800000000 ] - [ 0.0000000000000000, -0.0000004800000000, -0.0003846800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003824100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007889400000000 ] - [ 0.0000000000000000, -0.0000012700000000, -0.0007906000000000 ] - [ 0.0000011000000000, 0.0000006400000000, -0.0007906000000000 ] - [ -0.0000011000000000, 0.0000006400000000, -0.0007906000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000939600000000 ] - [ 0.0000000000000000, 0.0000004000000000, -0.0000940500000000 ] - [ -0.0000003500000000, -0.0000002000000000, -0.0000940500000000 ] - [ 0.0000003500000000, -0.0000002000000000, -0.0000940500000000 ] - [ 0.0000000000000000, -0.0000096300000000, -0.0004152300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004672500000000 ] - [ -0.0000083400000000, 0.0000048100000000, -0.0004152300000000 ] - [ 0.0000083400000000, 0.0000048100000000, -0.0004152300000000 ] - [ 0.0000083300000000, -0.0000048100000000, 0.0003616300000000 ] - [ -0.0000083300000000, -0.0000048100000000, 0.0003616300000000 ] - [ 0.0000000000000000, 0.0000096200000000, 0.0003616300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003703900000000 ] - [ 0.0000000000000000, 0.0000003700000000, -0.0003029100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003011600000000 ] - [ 0.0000003200000000, -0.0000001800000000, -0.0003029100000000 ] - [ -0.0000003200000000, -0.0000001800000000, -0.0003029100000000 ] - [ 0.0000000000000000, 0.0000011700000000, -0.0005902900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005892500000000 ] - [ 0.0000010100000000, -0.0000005800000000, -0.0005902900000000 ] - [ -0.0000010100000000, -0.0000005800000000, -0.0005902900000000 ] - [ -0.0000278100000000, 0.0000160500000000, 0.0001502400000000 ] - [ 0.0000278100000000, 0.0000160500000000, 0.0001502400000000 ] - [ 0.0000000000000000, -0.0000321100000000, 0.0001502400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013210000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004866300000000 ] - [ 0.0000000000000000, 0.0000535200000000, -0.0006520300000000 ] - [ -0.0000463500000000, -0.0000267600000000, -0.0006520300000000 ] - [ 0.0000463500000000, -0.0000267600000000, -0.0006520300000000 ] - [ 0.0000036400000000, -0.0000021000000000, -0.0012301300000000 ] - [ -0.0000036400000000, -0.0000021000000000, -0.0012301300000000 ] - [ 0.0000000000000000, 0.0000042100000000, -0.0012301300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012202800000000 ] - [ -0.0000006100000000, 0.0000003500000000, -0.0008678100000000 ] - [ 0.0000006100000000, 0.0000003500000000, -0.0008678100000000 ] - [ 0.0000000000000000, -0.0000007100000000, -0.0008678100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008671700000000 ] - [ 0.0000000000000000, 0.0000437200000000, -0.0002854000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001964000000000 ] - [ 0.0000378600000000, -0.0000218600000000, -0.0002854000000000 ] - [ -0.0000378600000000, -0.0000218600000000, -0.0002854000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1007646500000000 ] - [ 0.0000000000000000, -0.0007688200000000, 0.0033465100000000 ] - [ 0.0006658200000000, 0.0003844100000000, 0.0033465100000000 ] - [ -0.0006658200000000, 0.0003844100000000, 0.0033465100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001986300000000 ] - [ 0.0000000000000000, 0.0000020600000000, -0.0002004100000000 ] - [ -0.0000017800000000, -0.0000010300000000, -0.0002004100000000 ] - [ 0.0000017800000000, -0.0000010300000000, -0.0002004100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005188100000000 ] - [ 0.0000000000000000, 0.0003983100000000, -0.0000170500000000 ] - [ -0.0003449400000000, -0.0001991500000000, -0.0000170500000000 ] - [ 0.0003449400000000, -0.0001991500000000, -0.0000170500000000 ] - [ 0.0000000000000000, -0.0000005000000000, -0.0005953300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005955900000000 ] - [ -0.0000004400000000, 0.0000002500000000, -0.0005953300000000 ] - [ 0.0000004400000000, 0.0000002500000000, -0.0005953300000000 ] - [ 0.0034327000000000, -0.0019818700000000, -0.0040309900000000 ] - [ -0.0034327000000000, -0.0019818700000000, -0.0040309900000000 ] - [ 0.0000000000000000, 0.0039637400000000, -0.0040309900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016555600000000 ] - [ 0.0000000000000000, 0.0023705500000000, -0.0042422300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011866000000000 ] - [ 0.0020529600000000, -0.0011852800000000, -0.0042422300000000 ] - [ -0.0020529600000000, -0.0011852800000000, -0.0042422300000000 ]- atom: 125 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000144100000000, 0.0000092500000000, -0.0004078100000000 ] - [ -0.0000144800000000, 0.0000093700000000, -0.0004077900000000 ] - [ -0.0000144900000000, 0.0000092500000000, -0.0004078500000000 ] - [ -0.0000142800000000, 0.0000092800000000, -0.0004078200000000 ] - [ -0.0000147200000000, 0.0000088300000000, 0.0003389000000000 ] - [ -0.0000146500000000, 0.0000088200000000, 0.0003395200000000 ] - [ -0.0000146900000000, 0.0000086600000000, 0.0003391800000000 ] - [ -0.0000146900000000, 0.0000087000000000, 0.0003392100000000 ] - [ 0.0000185700000000, -0.0000090000000000, 0.0000115000000000 ] - [ 0.0000122800000000, -0.0000090200000000, 0.0000114700000000 ] - [ 0.0000152800000000, -0.0000071100000000, 0.0000049300000000 ] - [ 0.0000152800000000, -0.0000108900000000, 0.0000180500000000 ] - [ 0.0000160600000000, -0.0000083500000000, 0.0004520900000000 ] - [ 0.0000148700000000, -0.0000083900000000, 0.0004521000000000 ] - [ 0.0000153400000000, -0.0000081700000000, 0.0004505400000000 ] - [ 0.0000153500000000, -0.0000087400000000, 0.0004537100000000 ] - [ -0.0000155100000000, 0.0000090300000000, 0.0004031200000000 ] - [ -0.0000159700000000, 0.0000091200000000, 0.0004031400000000 ] - [ -0.0000160600000000, 0.0000090100000000, 0.0004031500000000 ] - [ -0.0000159200000000, 0.0000090300000000, 0.0004030900000000 ] - [ 0.0029365000000000, -0.0000145400000000, 0.0000991300000000 ] - [ -0.0012094600000000, 0.0000098400000000, 0.0001883800000000 ] - [ 0.0000084400000000, 0.0007153000000000, 0.0001287000000000 ] - [ 0.0000104500000000, -0.0006923000000000, 0.0002646500000000 ] - [ -0.0000154400000000, 0.0000093800000000, -0.0001615400000000 ] - [ -0.0000154000000000, 0.0000094300000000, -0.0001612700000000 ] - [ -0.0000154400000000, 0.0000094200000000, -0.0001613300000000 ] - [ -0.0000154600000000, 0.0000094600000000, -0.0001614600000000 ] - [ -0.0000156800000000, 0.0000097000000000, -0.0001860300000000 ] - [ -0.0000159100000000, 0.0000098000000000, -0.0001859300000000 ] - [ -0.0000160000000000, 0.0000098900000000, -0.0001860500000000 ] - [ -0.0000157500000000, 0.0000096800000000, -0.0001859300000000 ] - [ 0.0000171900000000, -0.0000162400000000, 0.0003989600000000 ] - [ 0.0000171200000000, -0.0000011900000000, 0.0003251400000000 ] - [ 0.0000041200000000, -0.0000087500000000, 0.0003621000000000 ] - [ 0.0000270600000000, -0.0000087900000000, 0.0003620700000000 ] - [ -0.0000147200000000, 0.0000083000000000, -0.0003264400000000 ] - [ -0.0000147200000000, 0.0000083900000000, -0.0003263600000000 ] - [ -0.0000149600000000, 0.0000082100000000, -0.0003263500000000 ] - [ -0.0000148000000000, 0.0000083900000000, -0.0003263500000000 ] - [ -0.0002003900000000, -0.0000084800000000, 0.0000113200000000 ] - [ 0.0001827900000000, -0.0000088600000000, 0.0000107500000000 ] - [ 0.0003586500000000, -0.0003304700000000, 0.0010513400000000 ] - [ 0.0003586300000000, 0.0003150300000000, -0.0010306900000000 ] - [ 0.0006738500000000, 0.0000071800000000, 0.0004642300000000 ] - [ -0.0015526600000000, 0.0000076100000000, 0.0004617000000000 ] - [ -0.0000204800000000, 0.0004100700000000, 0.0002382400000000 ] - [ -0.0000199400000000, -0.0003913600000000, 0.0006895500000000 ] - [ 0.0000014200000000, 0.0000394900000000, -0.0006472800000000 ] - [ 0.0000015000000000, -0.0000554400000000, -0.0008124400000000 ] - [ 0.0000836400000000, -0.0000080900000000, -0.0007298900000000 ] - [ -0.0000347900000000, -0.0000081300000000, -0.0007297800000000 ] - [ 0.0000155000000000, -0.0000084600000000, -0.0005100000000000 ] - [ 0.0000155000000000, -0.0000088800000000, -0.0005101000000000 ] - [ 0.0000158600000000, -0.0000087000000000, -0.0005099800000000 ] - [ 0.0000150100000000, -0.0000087000000000, -0.0005101400000000 ] - [ -0.0000028800000000, -0.0000086600000000, -0.0002754200000000 ] - [ 0.0000288800000000, -0.0000086700000000, -0.0002752600000000 ] - [ 0.0000152000000000, -0.0000165900000000, -0.0002814900000000 ] - [ 0.0000151400000000, -0.0000007600000000, -0.0002691200000000 ] - [ 0.0304960800000000, -0.0168207100000000, -0.0130015600000000 ] - [ 0.0292663400000000, 0.0159148000000000, 0.0124793400000000 ] - [ 0.0015370600000000, -0.0000913500000000, 0.0000703700000000 ] - [ -0.0004873400000000, 0.0000022500000000, 0.0000636800000000 ] - [ -0.0000486000000000, -0.0000091600000000, -0.0000796200000000 ] - [ 0.0001066000000000, -0.0000091700000000, -0.0000794700000000 ] - [ 0.0000085300000000, -0.0000656700000000, 0.0000630600000000 ] - [ 0.0000085500000000, 0.0000475700000000, -0.0002224700000000 ] - [ 0.0000154500000000, -0.0000091200000000, -0.0004996400000000 ] - [ 0.0000153400000000, -0.0000092000000000, -0.0004996600000000 ] - [ 0.0000152800000000, -0.0000090000000000, -0.0004987900000000 ] - [ 0.0000151400000000, -0.0000092500000000, -0.0005005700000000 ] - [ 0.0021991500000000, -0.0015308000000000, -0.0020482600000000 ] - [ 0.0021905900000000, 0.0015115400000000, 0.0020983500000000 ] - [ -0.0004399400000000, -0.0000067700000000, 0.0000332900000000 ] - [ 0.0000247400000000, -0.0000029400000000, 0.0000335900000000 ] - [ -0.0000002100000000, 0.0000037300000000, -0.0003737700000000 ] - [ -0.0000095400000000, 0.0000037400000000, -0.0003741900000000 ] - [ -0.0000060300000000, 0.0000047300000000, -0.0003745500000000 ] - [ -0.0000060700000000, 0.0000007200000000, -0.0003729900000000 ] - [ -0.0000455200000000, 0.0000022200000000, 0.0003264400000000 ] - [ 0.0002123000000000, 0.0000027300000000, 0.0003267700000000 ] - [ -0.0000470800000000, -0.0001459500000000, -0.0000187000000000 ] - [ -0.0000459600000000, 0.0001528700000000, 0.0006711600000000 ] - [ 0.0000052400000000, -0.0000028700000000, -0.0000159100000000 ] - [ 0.0000058400000000, -0.0000032900000000, -0.0000146100000000 ] - [ 0.0000060000000000, -0.0000036700000000, -0.0000144100000000 ] - [ 0.0000051500000000, -0.0000032800000000, -0.0000162700000000 ] - [ 0.0000042600000000, -0.0000097500000000, 0.0006809400000000 ] - [ 0.0000035300000000, 0.0000181500000000, 0.0008753400000000 ] - [ -0.0000202800000000, 0.0000029700000000, 0.0007785600000000 ] - [ 0.0000046700000000, 0.0000025300000000, 0.0007784500000000 ] - [ -0.0000062600000000, 0.0000037100000000, 0.0001209800000000 ] - [ -0.0000053700000000, 0.0000023700000000, 0.0001205500000000 ] - [ -0.0000045100000000, 0.0000020300000000, 0.0001219700000000 ] - [ -0.0000068200000000, 0.0000027100000000, 0.0001208300000000 ] - [ -0.0003973600000000, -0.0000048000000000, -0.0001634000000000 ] - [ 0.0000094900000000, -0.0000033900000000, -0.0001582900000000 ] - [ 0.0022548700000000, -0.0015306400000000, -0.0041537900000000 ] - [ 0.0022560200000000, 0.0015326300000000, 0.0038479300000000 ] - [ 0.0000053600000000, -0.0000036900000000, 0.0002165000000000 ] - [ 0.0000055500000000, -0.0000031600000000, 0.0002158300000000 ] - [ 0.0000050200000000, -0.0000034200000000, 0.0002164400000000 ] - [ 0.0000057900000000, -0.0000033000000000, 0.0002163200000000 ] - [ 0.0000062100000000, -0.0000034500000000, -0.0002014300000000 ] - [ 0.0000053400000000, -0.0000036100000000, -0.0002018200000000 ] - [ 0.0000059200000000, -0.0000037900000000, -0.0002021300000000 ] - [ 0.0000056100000000, -0.0000042000000000, -0.0002017200000000 ] - [ 0.0000063100000000, -0.0000043100000000, -0.0007981000000000 ] - [ 0.0000043900000000, -0.0000025600000000, -0.0007983200000000 ] - [ 0.0000038200000000, -0.0000028200000000, -0.0007980500000000 ] - [ 0.0000069100000000, -0.0000038500000000, -0.0007990100000000 ] - [ 0.0000037000000000, -0.0000101500000000, -0.0004345300000000 ] - [ 0.0000040700000000, 0.0000169600000000, -0.0004860700000000 ] - [ -0.0000196600000000, 0.0000034000000000, -0.0004613100000000 ] - [ 0.0000040700000000, 0.0000037100000000, -0.0004600200000000 ] - [ 0.0000007500000000, 0.0000028700000000, 0.0001470000000000 ] - [ -0.0000106500000000, 0.0000028800000000, 0.0001470300000000 ] - [ -0.0000061900000000, 0.0000073100000000, 0.0001631700000000 ] - [ -0.0000061900000000, -0.0000006700000000, 0.0001304600000000 ] - [ 0.0000042200000000, -0.0000032200000000, 0.0005000400000000 ] - [ 0.0000064900000000, -0.0000032500000000, 0.0005011300000000 ] - [ 0.0000053900000000, -0.0000051200000000, 0.0005004000000000 ] - [ 0.0000053000000000, -0.0000039000000000, 0.0004993000000000 ] - [ -0.0963608400000000, 0.0010482400000000, 0.0009511300000000 ] - [ 0.0166210300000000, 0.0000012300000000, 0.0002084300000000 ] - [ 0.0044216300000000, -0.0070484200000000, -0.0004596900000000 ] - [ 0.0044170000000000, 0.0070409200000000, 0.0008725500000000 ] - [ -0.0000053500000000, 0.0000030300000000, 0.0005435200000000 ] - [ -0.0000064000000000, 0.0000030200000000, 0.0005428600000000 ] - [ -0.0000057100000000, 0.0000037500000000, 0.0005461600000000 ] - [ -0.0000057000000000, 0.0000029100000000, 0.0005379300000000 ] - [ -0.0000862000000000, 0.0000031800000000, -0.0001654300000000 ] - [ 0.0003629800000000, 0.0000037800000000, -0.0001643800000000 ] - [ -0.0000095300000000, -0.0000423900000000, -0.0001358000000000 ] - [ -0.0000074600000000, 0.0000473700000000, -0.0001944300000000 ] - [ -0.0000068800000000, 0.0000043200000000, 0.0002886800000000 ] - [ -0.0000057600000000, 0.0000044300000000, 0.0002886200000000 ] - [ -0.0000064100000000, 0.0000020700000000, 0.0002896100000000 ] - [ -0.0000061900000000, 0.0000026700000000, 0.0002898300000000 ] - [ 0.0000060500000000, -0.0000033700000000, -0.0001105300000000 ] - [ 0.0000050500000000, -0.0000023500000000, -0.0001110500000000 ] - [ 0.0000046900000000, -0.0000034400000000, -0.0001106800000000 ] - [ 0.0000064000000000, -0.0000040300000000, -0.0001111900000000 ]- atom: 125 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000064600000000, -0.0007762100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007756900000000 ] - [ 0.0000055900000000, -0.0000032300000000, -0.0007762100000000 ] - [ -0.0000055900000000, -0.0000032300000000, -0.0007762100000000 ] - [ 0.0000087400000000, -0.0000050500000000, -0.0000420500000000 ] - [ -0.0000087400000000, -0.0000050500000000, -0.0000420500000000 ] - [ 0.0000000000000000, 0.0000100900000000, -0.0000420500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000447100000000 ] - [ 0.0000000000000000, 0.0000065800000000, -0.0005047200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004966400000000 ] - [ 0.0000057000000000, -0.0000032900000000, -0.0005047200000000 ] - [ -0.0000057000000000, -0.0000032900000000, -0.0005047200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000016500000000 ] - [ 0.0000000000000000, 0.0000027800000000, 0.0000134500000000 ] - [ -0.0000024100000000, -0.0000013900000000, 0.0000134500000000 ] - [ 0.0000024100000000, -0.0000013900000000, 0.0000134500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000988600000000 ] - [ 0.0000000000000000, -0.0000134800000000, -0.0000986500000000 ] - [ 0.0000116700000000, 0.0000067400000000, -0.0000986500000000 ] - [ -0.0000116700000000, 0.0000067400000000, -0.0000986500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0488285400000000 ] - [ 0.0000000000000000, 0.0007946900000000, 0.0028262800000000 ] - [ -0.0006882200000000, -0.0003973400000000, 0.0028262800000000 ] - [ 0.0006882200000000, -0.0003973400000000, 0.0028262800000000 ] - [ -0.0000005100000000, 0.0000002900000000, -0.0005678200000000 ] - [ 0.0000005100000000, 0.0000002900000000, -0.0005678200000000 ] - [ 0.0000000000000000, -0.0000005900000000, -0.0005678200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005728200000000 ] - [ 0.0000000000000000, 0.0000211300000000, -0.0006174200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006147800000000 ] - [ 0.0000183000000000, -0.0000105600000000, -0.0006174200000000 ] - [ -0.0000183000000000, -0.0000105600000000, -0.0006174200000000 ] - [ -0.0000167500000000, 0.0000096700000000, -0.0000196900000000 ] - [ 0.0000167500000000, 0.0000096700000000, -0.0000196900000000 ] - [ 0.0000000000000000, -0.0000193400000000, -0.0000196900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000137500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007141200000000 ] - [ 0.0000000000000000, -0.0000073900000000, -0.0007202300000000 ] - [ 0.0000064000000000, 0.0000037000000000, -0.0007202300000000 ] - [ -0.0000064000000000, 0.0000037000000000, -0.0007202300000000 ] - [ 0.0000000000000000, -0.0006675500000000, -0.0007409100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008072700000000 ] - [ -0.0005781200000000, 0.0003337800000000, -0.0007409100000000 ] - [ 0.0005781200000000, 0.0003337800000000, -0.0007409100000000 ] - [ 0.0000000000000000, -0.0010533600000000, 0.0001756600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010690900000000 ] - [ -0.0009122300000000, 0.0005266800000000, 0.0001756600000000 ] - [ 0.0009122300000000, 0.0005266800000000, 0.0001756600000000 ] - [ -0.0004715500000000, 0.0002722500000000, -0.0012223600000000 ] - [ 0.0004715500000000, 0.0002722500000000, -0.0012223600000000 ] - [ 0.0000000000000000, -0.0005444900000000, -0.0012223600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010051700000000 ] - [ 0.0000006800000000, -0.0000003900000000, -0.0008754500000000 ] - [ -0.0000006800000000, -0.0000003900000000, -0.0008754500000000 ] - [ 0.0000000000000000, 0.0000007900000000, -0.0008754500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008566600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007311000000000 ] - [ 0.0000000000000000, 0.0000451800000000, -0.0007715900000000 ] - [ -0.0000391300000000, -0.0000225900000000, -0.0007715900000000 ] - [ 0.0000391300000000, -0.0000225900000000, -0.0007715900000000 ] - [ -0.0113402100000000, 0.0065472700000000, 0.0099847500000000 ] - [ 0.0113402100000000, 0.0065472700000000, 0.0099847500000000 ] - [ 0.0000000000000000, -0.0130945500000000, 0.0099847500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024718800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003469500000000 ] - [ 0.0000000000000000, -0.0000724200000000, -0.0004655300000000 ] - [ 0.0000627100000000, 0.0000362100000000, -0.0004655300000000 ] - [ -0.0000627100000000, 0.0000362100000000, -0.0004655300000000 ] - [ 0.0000000000000000, -0.0000272300000000, -0.0008530100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008468800000000 ] - [ -0.0000235800000000, 0.0000136200000000, -0.0008530100000000 ] - [ 0.0000235800000000, 0.0000136200000000, -0.0008530100000000 ] - [ -0.0039615200000000, 0.0022871800000000, 0.0041402700000000 ] - [ 0.0039615200000000, 0.0022871800000000, 0.0041402700000000 ] - [ 0.0000000000000000, -0.0045743700000000, 0.0041402700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012783400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000181200000000 ] - [ 0.0000000000000000, -0.0000312000000000, -0.0000410600000000 ] - [ 0.0000270200000000, 0.0000156000000000, -0.0000410600000000 ] - [ -0.0000270200000000, 0.0000156000000000, -0.0000410600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003039700000000 ] - [ 0.0000000000000000, -0.0002791200000000, 0.0008497000000000 ] - [ 0.0002417200000000, 0.0001395600000000, 0.0008497000000000 ] - [ -0.0002417200000000, 0.0001395600000000, 0.0008497000000000 ] - [ 0.0000000000000000, -0.0000511200000000, 0.0004967500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005018800000000 ] - [ -0.0000442700000000, 0.0000255600000000, 0.0004967500000000 ] - [ 0.0000442700000000, 0.0000255600000000, 0.0004967500000000 ] - [ -0.0000062700000000, 0.0000036200000000, 0.0011460900000000 ] - [ 0.0000062700000000, 0.0000036200000000, 0.0011460900000000 ] - [ 0.0000000000000000, -0.0000072400000000, 0.0011460900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010570500000000 ] - [ 0.0000000000000000, 0.0000003200000000, 0.0004765400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004800300000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0004765400000000 ] - [ -0.0000002800000000, -0.0000001600000000, 0.0004765400000000 ] - [ 0.0000000000000000, -0.0024352500000000, 0.0040427800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014985900000000 ] - [ -0.0021089900000000, 0.0012176200000000, 0.0040427800000000 ] - [ 0.0021089900000000, 0.0012176200000000, 0.0040427800000000 ] - [ -0.0000023900000000, 0.0000013800000000, 0.0005889200000000 ] - [ 0.0000023900000000, 0.0000013800000000, 0.0005889200000000 ] - [ 0.0000000000000000, -0.0000027600000000, 0.0005889200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005700100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001927700000000 ] - [ 0.0000000000000000, 0.0000012500000000, 0.0002157300000000 ] - [ -0.0000010800000000, -0.0000006200000000, 0.0002157300000000 ] - [ 0.0000010800000000, -0.0000006200000000, 0.0002157300000000 ] - [ 0.0000185000000000, -0.0000106800000000, -0.0003683800000000 ] - [ -0.0000185000000000, -0.0000106800000000, -0.0003683800000000 ] - [ 0.0000000000000000, 0.0000213600000000, -0.0003683800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003862400000000 ] - [ 0.0000896100000000, -0.0000517300000000, 0.0000703500000000 ] - [ -0.0000896100000000, -0.0000517300000000, 0.0000703500000000 ] - [ 0.0000000000000000, 0.0001034700000000, 0.0000703500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000117700000000 ] - [ 0.0000000000000000, -0.0000330900000000, 0.0005221900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005252200000000 ] - [ -0.0000286500000000, 0.0000165400000000, 0.0005221900000000 ] - [ 0.0000286500000000, 0.0000165400000000, 0.0005221900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008581900000000 ] - [ 0.0000000000000000, 0.0000138000000000, 0.0008853000000000 ] - [ -0.0000119500000000, -0.0000069000000000, 0.0008853000000000 ] - [ 0.0000119500000000, -0.0000069000000000, 0.0008853000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1024643200000000 ] - [ 0.0000000000000000, 0.0007906600000000, -0.0024951600000000 ] - [ -0.0006847300000000, -0.0003953300000000, -0.0024951600000000 ] - [ 0.0006847300000000, -0.0003953300000000, -0.0024951600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010972700000000 ] - [ 0.0000000000000000, -0.0000182700000000, 0.0010676800000000 ] - [ 0.0000158200000000, 0.0000091300000000, 0.0010676800000000 ] - [ -0.0000158200000000, 0.0000091300000000, 0.0010676800000000 ] - [ 0.0000000000000000, 0.0000727800000000, -0.0001157300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014041000000000 ] - [ 0.0000630300000000, -0.0000363900000000, -0.0001157300000000 ] - [ -0.0000630300000000, -0.0000363900000000, -0.0001157300000000 ] - [ -0.0000217900000000, 0.0000125800000000, 0.0007071600000000 ] - [ 0.0000217900000000, 0.0000125800000000, 0.0007071600000000 ] - [ 0.0000000000000000, -0.0000251600000000, 0.0007071600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007227400000000 ] - [ 0.0000000000000000, -0.0000241200000000, 0.0002695700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002705000000000 ] - [ -0.0000208800000000, 0.0000120600000000, 0.0002695700000000 ] - [ 0.0000208800000000, 0.0000120600000000, 0.0002695700000000 ]- atom: 125 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000002000000000, 0.0000025500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000025300000000 ] - [ -0.0000001700000000, 0.0000001000000000, 0.0000025500000000 ] - [ 0.0000001700000000, 0.0000001000000000, 0.0000025500000000 ] - [ -0.0000002400000000, 0.0000001400000000, 0.0007483900000000 ] - [ 0.0000002400000000, 0.0000001400000000, 0.0007483900000000 ] - [ 0.0000000000000000, -0.0000002800000000, 0.0007483900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007485200000000 ] - [ 0.0000000000000000, 0.0000017100000000, 0.0004231000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004214200000000 ] - [ 0.0000014800000000, -0.0000008500000000, 0.0004231000000000 ] - [ -0.0000014800000000, -0.0000008500000000, 0.0004231000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008659600000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0008690700000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0008690700000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0008690700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008126000000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0008144200000000 ] - [ 0.0000000400000000, 0.0000000300000000, 0.0008144200000000 ] - [ -0.0000000400000000, 0.0000000300000000, 0.0008144200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0458613600000000 ] - [ 0.0000000000000000, -0.0008014800000000, -0.0024202800000000 ] - [ 0.0006941100000000, 0.0004007400000000, -0.0024202800000000 ] - [ -0.0006941100000000, 0.0004007400000000, -0.0024202800000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0002481700000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0002481700000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0002481700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002480600000000 ] - [ 0.0000000000000000, -0.0000009200000000, 0.0002317300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002310500000000 ] - [ -0.0000008000000000, 0.0000004600000000, 0.0002317300000000 ] - [ 0.0000008000000000, 0.0000004600000000, 0.0002317300000000 ] - [ 0.0000052800000000, -0.0000030500000000, 0.0007812500000000 ] - [ -0.0000052800000000, -0.0000030500000000, 0.0007812500000000 ] - [ 0.0000000000000000, 0.0000061000000000, 0.0007812500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007491100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000842000000000 ] - [ 0.0000000000000000, 0.0000001800000000, 0.0000853400000000 ] - [ -0.0000001600000000, -0.0000000900000000, 0.0000853400000000 ] - [ 0.0000001600000000, -0.0000000900000000, 0.0000853400000000 ] - [ 0.0000000000000000, 0.0006535400000000, 0.0008095600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007428500000000 ] - [ 0.0005659800000000, -0.0003267700000000, 0.0008095600000000 ] - [ -0.0005659800000000, -0.0003267700000000, 0.0008095600000000 ] - [ 0.0000000000000000, 0.0010621400000000, 0.0007785600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001181500000000 ] - [ 0.0009198400000000, -0.0005310700000000, 0.0007785600000000 ] - [ -0.0009198400000000, -0.0005310700000000, 0.0007785600000000 ] - [ 0.0004745400000000, -0.0002739800000000, -0.0002471400000000 ] - [ -0.0004745400000000, -0.0002739800000000, -0.0002471400000000 ] - [ 0.0000000000000000, 0.0005479500000000, -0.0002471400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004649900000000 ] - [ -0.0000018700000000, 0.0000010800000000, -0.0001006400000000 ] - [ 0.0000018700000000, 0.0000010800000000, -0.0001006400000000 ] - [ 0.0000000000000000, -0.0000021500000000, -0.0001006400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001017900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001112600000000 ] - [ 0.0000000000000000, -0.0000454700000000, 0.0001465000000000 ] - [ 0.0000393800000000, 0.0000227300000000, 0.0001465000000000 ] - [ -0.0000393800000000, 0.0000227300000000, 0.0001465000000000 ] - [ 0.0114999700000000, -0.0066395100000000, -0.0098209200000000 ] - [ -0.0114999700000000, -0.0066395100000000, -0.0098209200000000 ] - [ 0.0000000000000000, 0.0132790300000000, -0.0098209200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024405400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002526100000000 ] - [ 0.0000000000000000, 0.0000799200000000, 0.0003643500000000 ] - [ -0.0000692100000000, -0.0000399600000000, 0.0003643500000000 ] - [ 0.0000692100000000, -0.0000399600000000, 0.0003643500000000 ] - [ 0.0000000000000000, 0.0000176000000000, -0.0000878800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000897000000000 ] - [ 0.0000152400000000, -0.0000088000000000, -0.0000878800000000 ] - [ -0.0000152400000000, -0.0000088000000000, -0.0000878800000000 ] - [ 0.0040048500000000, -0.0023122000000000, -0.0041656100000000 ] - [ -0.0040048500000000, -0.0023122000000000, -0.0041656100000000 ] - [ 0.0000000000000000, 0.0046244000000000, -0.0041656100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013353600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008164600000000 ] - [ 0.0000000000000000, 0.0000065000000000, -0.0007678400000000 ] - [ -0.0000056300000000, -0.0000032500000000, -0.0007678400000000 ] - [ 0.0000056300000000, -0.0000032500000000, -0.0007678400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002997200000000 ] - [ 0.0000000000000000, 0.0002737800000000, -0.0002270900000000 ] - [ -0.0002371000000000, -0.0001368900000000, -0.0002270900000000 ] - [ 0.0002371000000000, -0.0001368900000000, -0.0002270900000000 ] - [ 0.0000000000000000, 0.0000035700000000, -0.0004305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004289400000000 ] - [ 0.0000030900000000, -0.0000017800000000, -0.0004305500000000 ] - [ -0.0000030900000000, -0.0000017800000000, -0.0004305500000000 ] - [ 0.0000241100000000, -0.0000139200000000, 0.0003473700000000 ] - [ -0.0000241100000000, -0.0000139200000000, 0.0003473700000000 ] - [ 0.0000000000000000, 0.0000278400000000, 0.0003473700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004486800000000 ] - [ 0.0000000000000000, -0.0000036600000000, -0.0002894700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002833600000000 ] - [ -0.0000031700000000, 0.0000018300000000, -0.0002894700000000 ] - [ 0.0000031700000000, 0.0000018300000000, -0.0002894700000000 ] - [ 0.0000000000000000, 0.0023942200000000, -0.0043130100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011650700000000 ] - [ 0.0020734500000000, -0.0011971100000000, -0.0043130100000000 ] - [ -0.0020734500000000, -0.0011971100000000, -0.0043130100000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0001919800000000 ] - [ 0.0000002900000000, 0.0000001700000000, -0.0001919800000000 ] - [ 0.0000000000000000, -0.0000003400000000, -0.0001919800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001920800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006104200000000 ] - [ 0.0000000000000000, -0.0000003600000000, -0.0006132100000000 ] - [ 0.0000003200000000, 0.0000001800000000, -0.0006132100000000 ] - [ -0.0000003200000000, 0.0000001800000000, -0.0006132100000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0012146100000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0012146100000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0012146100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012161800000000 ] - [ -0.0000969200000000, 0.0000559600000000, -0.0009038000000000 ] - [ 0.0000969200000000, 0.0000559600000000, -0.0009038000000000 ] - [ 0.0000000000000000, -0.0001119200000000, -0.0009038000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008014400000000 ] - [ 0.0000000000000000, 0.0000062600000000, -0.0002647600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002605000000000 ] - [ 0.0000054200000000, -0.0000031300000000, -0.0002647600000000 ] - [ -0.0000054200000000, -0.0000031300000000, -0.0002647600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000888300000000 ] - [ 0.0000000000000000, -0.0000002100000000, 0.0000874800000000 ] - [ 0.0000001800000000, 0.0000001000000000, 0.0000874800000000 ] - [ -0.0000001800000000, 0.0000001000000000, 0.0000874800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1000040400000000 ] - [ 0.0000000000000000, -0.0007654600000000, 0.0029974600000000 ] - [ 0.0006629100000000, 0.0003827300000000, 0.0029974600000000 ] - [ -0.0006629100000000, 0.0003827300000000, 0.0029974600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001277700000000 ] - [ 0.0000000000000000, 0.0000013800000000, 0.0001247600000000 ] - [ -0.0000012000000000, -0.0000006900000000, 0.0001247600000000 ] - [ 0.0000012000000000, -0.0000006900000000, 0.0001247600000000 ] - [ 0.0000000000000000, -0.0000760600000000, -0.0002188900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017379600000000 ] - [ -0.0000658700000000, 0.0000380300000000, -0.0002188900000000 ] - [ 0.0000658700000000, 0.0000380300000000, -0.0002188900000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0001243500000000 ] - [ 0.0000002900000000, 0.0000001700000000, -0.0001243500000000 ] - [ 0.0000000000000000, -0.0000003300000000, -0.0001243500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001239800000000 ] - [ 0.0000000000000000, 0.0000010700000000, -0.0005199600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005202900000000 ] - [ 0.0000009300000000, -0.0000005300000000, -0.0005199600000000 ] - [ -0.0000009300000000, -0.0000005300000000, -0.0005199600000000 ]- atom: 129 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000263100000000, 0.0000092800000000, -0.0004067500000000 ] - [ -0.0000032300000000, 0.0000091200000000, -0.0004070700000000 ] - [ -0.0000130800000000, 0.0000018400000000, -0.0004439800000000 ] - [ -0.0000133300000000, 0.0000169500000000, -0.0003698900000000 ] - [ 0.0003287300000000, -0.0003147200000000, -0.0007025700000000 ] - [ 0.0003282900000000, 0.0003307700000000, 0.0013783900000000 ] - [ -0.0002304700000000, 0.0000087200000000, 0.0003389100000000 ] - [ 0.0001528000000000, 0.0000088400000000, 0.0003383200000000 ] - [ 0.0015714600000000, 0.0000928100000000, 0.0000160200000000 ] - [ -0.0004585100000000, -0.0000025400000000, 0.0000097400000000 ] - [ 0.0292611100000000, -0.0158933900000000, 0.0124282600000000 ] - [ 0.0304905100000000, 0.0167961700000000, -0.0130589500000000 ] - [ 0.0029748500000000, 0.0000160500000000, 0.0003572100000000 ] - [ -0.0011783600000000, -0.0000081900000000, 0.0004468400000000 ] - [ 0.0000405900000000, 0.0006933000000000, 0.0005235700000000 ] - [ 0.0000389800000000, -0.0007134100000000, 0.0003871200000000 ] - [ -0.0000150400000000, 0.0000092600000000, 0.0003999300000000 ] - [ -0.0000165300000000, 0.0000085900000000, 0.0004001200000000 ] - [ -0.0000153500000000, 0.0000095600000000, 0.0004016100000000 ] - [ -0.0000164800000000, 0.0000088500000000, 0.0003986700000000 ] - [ -0.0000182200000000, 0.0000099900000000, 0.0001945200000000 ] - [ -0.0000115400000000, 0.0000100100000000, 0.0001940800000000 ] - [ -0.0000150800000000, 0.0000078500000000, 0.0001973100000000 ] - [ -0.0000150700000000, 0.0000119200000000, 0.0001917000000000 ] - [ -0.0000155500000000, 0.0000114300000000, -0.0001545200000000 ] - [ -0.0000154600000000, 0.0000075900000000, -0.0001678600000000 ] - [ -0.0000121900000000, 0.0000093500000000, -0.0001614700000000 ] - [ -0.0000185000000000, 0.0000093900000000, -0.0001613100000000 ] - [ -0.0000159900000000, 0.0000105300000000, -0.0001852200000000 ] - [ -0.0000156400000000, 0.0000094900000000, -0.0001856800000000 ] - [ -0.0000149000000000, 0.0000094800000000, -0.0001852200000000 ] - [ -0.0000167300000000, 0.0000096500000000, -0.0001854800000000 ] - [ 0.0000101600000000, 0.0003921100000000, 0.0005880200000000 ] - [ 0.0000098100000000, -0.0004118600000000, 0.0001388100000000 ] - [ 0.0007062500000000, -0.0000077100000000, 0.0003641300000000 ] - [ -0.0015276100000000, -0.0000078700000000, 0.0003613900000000 ] - [ -0.0000800400000000, 0.0000085900000000, -0.0003250300000000 ] - [ 0.0000757900000000, 0.0000082400000000, -0.0003249500000000 ] - [ -0.0000221900000000, -0.0000485800000000, -0.0004677200000000 ] - [ -0.0000228800000000, 0.0000649600000000, -0.0001824500000000 ] - [ 0.0000403700000000, -0.0000083900000000, 0.0000087400000000 ] - [ -0.0000155100000000, -0.0000082700000000, 0.0000085600000000 ] - [ 0.0000151800000000, 0.0000056800000000, 0.0000127200000000 ] - [ 0.0000153900000000, -0.0000232800000000, 0.0000046700000000 ] - [ -0.0000139900000000, 0.0000084600000000, 0.0004619400000000 ] - [ -0.0000143200000000, 0.0000085600000000, 0.0004619400000000 ] - [ -0.0000143400000000, 0.0000083000000000, 0.0004620600000000 ] - [ -0.0000141400000000, 0.0000079800000000, 0.0004623000000000 ] - [ 0.0000148100000000, -0.0000084100000000, -0.0007288900000000 ] - [ 0.0000146900000000, -0.0000083400000000, -0.0007290400000000 ] - [ 0.0000146800000000, -0.0000076500000000, -0.0007287800000000 ] - [ 0.0000147900000000, -0.0000077500000000, -0.0007291300000000 ] - [ 0.0000156200000000, -0.0000085300000000, -0.0005106200000000 ] - [ 0.0000152800000000, -0.0000087500000000, -0.0005108200000000 ] - [ 0.0000156000000000, -0.0000086000000000, -0.0005109900000000 ] - [ 0.0000153800000000, -0.0000088300000000, -0.0005100100000000 ] - [ 0.0000148500000000, -0.0000087900000000, -0.0002776600000000 ] - [ 0.0000156900000000, -0.0000085800000000, -0.0002776900000000 ] - [ 0.0000153000000000, -0.0000088100000000, -0.0002774700000000 ] - [ 0.0000156500000000, -0.0000085000000000, -0.0002776200000000 ] - [ -0.0000150700000000, 0.0000090800000000, 0.0000615400000000 ] - [ -0.0000157100000000, 0.0000085300000000, 0.0000624600000000 ] - [ -0.0000149300000000, 0.0000085600000000, 0.0000621100000000 ] - [ -0.0000158800000000, 0.0000081900000000, 0.0000622400000000 ] - [ 0.0000504400000000, -0.0000094600000000, -0.0000780500000000 ] - [ -0.0000167800000000, -0.0000092300000000, -0.0000781100000000 ] - [ -0.0000138600000000, -0.0000071100000000, -0.0001196900000000 ] - [ -0.0000133000000000, -0.0000107900000000, -0.0000361000000000 ] - [ 0.0000151400000000, -0.0000090600000000, -0.0004987000000000 ] - [ 0.0000156500000000, -0.0000090100000000, -0.0004989800000000 ] - [ 0.0000154000000000, -0.0000094200000000, -0.0004988200000000 ] - [ 0.0000154700000000, -0.0000090600000000, -0.0004987500000000 ] - [ 0.0000096400000000, -0.0000062000000000, 0.0000254700000000 ] - [ 0.0000004200000000, -0.0000080700000000, 0.0000269200000000 ] - [ 0.0000065800000000, 0.0000024800000000, 0.0000247800000000 ] - [ 0.0000034700000000, -0.0000028500000000, 0.0000317400000000 ] - [ -0.0000028600000000, 0.0000068600000000, -0.0003798600000000 ] - [ -0.0000087700000000, 0.0000058700000000, -0.0003814000000000 ] - [ -0.0000049500000000, 0.0000018900000000, -0.0003812400000000 ] - [ -0.0000067000000000, -0.0000017000000000, -0.0003785200000000 ] - [ -0.0000041000000000, 0.0000005400000000, 0.0003234000000000 ] - [ -0.0000086200000000, 0.0000037500000000, 0.0003278500000000 ] - [ 0.0000060200000000, 0.0000134900000000, 0.0002775500000000 ] - [ 0.0000114000000000, -0.0000065600000000, 0.0003658600000000 ] - [ 0.0000029400000000, -0.0000050700000000, -0.0000032900000000 ] - [ 0.0000081400000000, -0.0000023900000000, 0.0000013100000000 ] - [ 0.0000032300000000, -0.0000043300000000, 0.0000023700000000 ] - [ 0.0000078800000000, -0.0000012900000000, -0.0000039700000000 ] - [ -0.0000049600000000, -0.0000447800000000, 0.0007458500000000 ] - [ -0.0000111100000000, 0.0000604000000000, 0.0008007500000000 ] - [ -0.0000991200000000, 0.0000008300000000, 0.0007754100000000 ] - [ 0.0004153500000000, -0.0000021000000000, 0.0007747100000000 ] - [ -0.0000074000000000, 0.0000077900000000, 0.0001142700000000 ] - [ -0.0000041500000000, 0.0000011000000000, 0.0001126900000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0001148500000000 ] - [ -0.0000115200000000, 0.0000019400000000, 0.0001190800000000 ] - [ -0.0000015000000000, -0.0000029000000000, -0.0001616400000000 ] - [ 0.0000147000000000, -0.0000019200000000, -0.0001645900000000 ] - [ 0.0000044100000000, -0.0000083600000000, -0.0001704000000000 ] - [ 0.0000060900000000, -0.0000006200000000, -0.0001579200000000 ] - [ 0.0000043800000000, 0.0000001600000000, 0.0002040300000000 ] - [ 0.0000060100000000, -0.0000070500000000, 0.0002347900000000 ] - [ 0.0000114200000000, -0.0000037800000000, 0.0002205100000000 ] - [ 0.0000013900000000, -0.0000028400000000, 0.0002191600000000 ] - [ 0.0000075100000000, -0.0000037300000000, -0.0002095400000000 ] - [ 0.0000039300000000, -0.0000034500000000, -0.0002081300000000 ] - [ 0.0000056700000000, -0.0000028300000000, -0.0002143800000000 ] - [ 0.0000061400000000, -0.0000050300000000, -0.0002034300000000 ] - [ 0.0000101300000000, -0.0000073500000000, -0.0008000300000000 ] - [ 0.0000005900000000, 0.0000003500000000, -0.0008009700000000 ] - [ -0.0000012700000000, -0.0000004900000000, -0.0007996600000000 ] - [ 0.0000119800000000, -0.0000060300000000, -0.0008056900000000 ] - [ -0.0000079000000000, 0.0000060600000000, -0.0004408700000000 ] - [ -0.0000045800000000, 0.0000018600000000, -0.0004455800000000 ] - [ -0.0000027600000000, 0.0000020400000000, -0.0004474500000000 ] - [ -0.0000098800000000, 0.0000040000000000, -0.0004427500000000 ] - [ -0.0004602100000000, 0.0000060600000000, 0.0001427600000000 ] - [ 0.0000143500000000, 0.0000022500000000, 0.0001422700000000 ] - [ 0.0021865400000000, -0.0015213700000000, 0.0021956000000000 ] - [ 0.0021950900000000, 0.0015398300000000, -0.0019307100000000 ] - [ -0.0000408200000000, -0.0000008000000000, 0.0004953400000000 ] - [ 0.0002298000000000, -0.0000003700000000, 0.0005021000000000 ] - [ -0.0000355000000000, -0.0001605300000000, 0.0008446300000000 ] - [ -0.0000352600000000, 0.0001454800000000, 0.0001470800000000 ] - [ 0.0000063600000000, -0.0000055500000000, 0.0002225100000000 ] - [ 0.0000055500000000, 0.0000004800000000, 0.0002214800000000 ] - [ 0.0000009600000000, -0.0000039100000000, 0.0002197800000000 ] - [ 0.0000113400000000, -0.0000045900000000, 0.0002210600000000 ] - [ -0.0963094700000000, -0.0010500200000000, 0.0013121400000000 ] - [ 0.0166109700000000, -0.0000038700000000, 0.0005640200000000 ] - [ 0.0044036400000000, -0.0070409800000000, 0.0012248100000000 ] - [ 0.0044086300000000, 0.0070519700000000, -0.0001065600000000 ] - [ -0.0000025000000000, 0.0000027600000000, -0.0001702200000000 ] - [ -0.0000094600000000, 0.0000067700000000, -0.0001631700000000 ] - [ -0.0000094800000000, 0.0000034900000000, -0.0001697900000000 ] - [ -0.0000024300000000, -0.0000005400000000, -0.0001696900000000 ] - [ 0.0022406500000000, -0.0015287400000000, 0.0042773400000000 ] - [ 0.0022436600000000, 0.0015335400000000, -0.0037112200000000 ] - [ -0.0004098100000000, 0.0000000000000000, 0.0002761700000000 ] - [ -0.0000019300000000, 0.0000010900000000, 0.0002826500000000 ] - [ -0.0000037000000000, -0.0000043000000000, -0.0001097000000000 ] - [ 0.0000116900000000, 0.0000031200000000, -0.0001124800000000 ] - [ 0.0000093100000000, -0.0000173100000000, -0.0000152800000000 ] - [ 0.0000221700000000, 0.0000051800000000, -0.0002088800000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000006300000000, -0.0008529200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008222800000000 ] - [ 0.0000005400000000, -0.0000003100000000, -0.0008529200000000 ] - [ -0.0000005400000000, -0.0000003100000000, -0.0008529200000000 ] - [ 0.0005677100000000, -0.0003277700000000, -0.0004777400000000 ] - [ -0.0005677100000000, -0.0003277700000000, -0.0004777400000000 ] - [ 0.0000000000000000, 0.0006555400000000, -0.0004777400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010803200000000 ] - [ 0.0000000000000000, 0.0130976400000000, 0.0101141500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025611800000000 ] - [ 0.0113428900000000, -0.0065488200000000, 0.0101141500000000 ] - [ -0.0113428900000000, -0.0065488200000000, 0.0101141500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0490758300000000 ] - [ 0.0000000000000000, -0.0008045800000000, 0.0030919100000000 ] - [ 0.0006967900000000, 0.0004022900000000, 0.0030919100000000 ] - [ -0.0006967900000000, 0.0004022900000000, 0.0030919100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000542100000000 ] - [ 0.0000000000000000, 0.0000056900000000, 0.0000493200000000 ] - [ -0.0000049300000000, -0.0000028500000000, 0.0000493200000000 ] - [ 0.0000049300000000, -0.0000028500000000, 0.0000493200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002291000000000 ] - [ 0.0000000000000000, 0.0000263000000000, -0.0002395600000000 ] - [ -0.0000227800000000, -0.0000131500000000, -0.0002395600000000 ] - [ 0.0000227800000000, -0.0000131500000000, -0.0002395600000000 ] - [ 0.0000007400000000, -0.0000004200000000, -0.0005737700000000 ] - [ -0.0000007400000000, -0.0000004200000000, -0.0005737700000000 ] - [ 0.0000000000000000, 0.0000008500000000, -0.0005737700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005743900000000 ] - [ 0.0000000000000000, -0.0000033400000000, -0.0005787400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005787800000000 ] - [ -0.0000028900000000, 0.0000016700000000, -0.0005787400000000 ] - [ 0.0000028900000000, 0.0000016700000000, -0.0005787400000000 ] - [ 0.0009320900000000, -0.0005381400000000, 0.0000124600000000 ] - [ -0.0009320900000000, -0.0005381400000000, 0.0000124600000000 ] - [ 0.0000000000000000, 0.0010762800000000, 0.0000124600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009292100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006793700000000 ] - [ 0.0000000000000000, 0.0000823500000000, -0.0007855900000000 ] - [ -0.0000713200000000, -0.0000411800000000, -0.0007855900000000 ] - [ 0.0000713200000000, -0.0000411800000000, -0.0007855900000000 ] - [ 0.0000000000000000, 0.0000728600000000, -0.0004430200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004140000000000 ] - [ 0.0000631000000000, -0.0000364300000000, -0.0004430200000000 ] - [ -0.0000631000000000, -0.0000364300000000, -0.0004430200000000 ] - [ 0.0000000000000000, 0.0000010500000000, 0.0000396300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000402600000000 ] - [ 0.0000009100000000, -0.0000005300000000, 0.0000396300000000 ] - [ -0.0000009100000000, -0.0000005300000000, 0.0000396300000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0011262200000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0011262200000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0011262200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011322400000000 ] - [ -0.0000024700000000, 0.0000014300000000, -0.0009476300000000 ] - [ 0.0000024700000000, 0.0000014300000000, -0.0009476300000000 ] - [ 0.0000000000000000, -0.0000028500000000, -0.0009476300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009510600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006535900000000 ] - [ 0.0000000000000000, 0.0000067200000000, -0.0006442000000000 ] - [ -0.0000058200000000, -0.0000033600000000, -0.0006442000000000 ] - [ 0.0000058200000000, -0.0000033600000000, -0.0006442000000000 ] - [ -0.0000045700000000, 0.0000026400000000, -0.0003002500000000 ] - [ 0.0000045700000000, 0.0000026400000000, -0.0003002500000000 ] - [ 0.0000000000000000, -0.0000052800000000, -0.0003002500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003001800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004955500000000 ] - [ 0.0000000000000000, -0.0005289800000000, -0.0005516800000000 ] - [ 0.0004581100000000, 0.0002644900000000, -0.0005516800000000 ] - [ -0.0004581100000000, 0.0002644900000000, -0.0005516800000000 ] - [ 0.0000000000000000, 0.0000049000000000, -0.0009480900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009485900000000 ] - [ 0.0000042400000000, -0.0000024500000000, -0.0009480900000000 ] - [ -0.0000042400000000, -0.0000024500000000, -0.0009480900000000 ] - [ 0.0000012300000000, -0.0000007100000000, 0.0004539300000000 ] - [ -0.0000012300000000, -0.0000007100000000, 0.0004539300000000 ] - [ 0.0000000000000000, 0.0000014200000000, 0.0004539300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004522500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000677400000000 ] - [ 0.0000000000000000, 0.0000047400000000, 0.0000656400000000 ] - [ -0.0000041000000000, -0.0000023700000000, 0.0000656400000000 ] - [ 0.0000041000000000, -0.0000023700000000, 0.0000656400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006010400000000 ] - [ 0.0000000000000000, 0.0001075500000000, 0.0007829600000000 ] - [ -0.0000931400000000, -0.0000537700000000, 0.0007829600000000 ] - [ 0.0000931400000000, -0.0000537700000000, 0.0007829600000000 ] - [ 0.0000000000000000, 0.0000039400000000, 0.0003472400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003234000000000 ] - [ 0.0000034100000000, -0.0000019700000000, 0.0003472400000000 ] - [ -0.0000034100000000, -0.0000019700000000, 0.0003472400000000 ] - [ -0.0001291200000000, 0.0000745500000000, 0.0008241400000000 ] - [ 0.0001291200000000, 0.0000745500000000, 0.0008241400000000 ] - [ 0.0000000000000000, -0.0001490900000000, 0.0008241400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022859000000000 ] - [ 0.0000000000000000, -0.0000007400000000, 0.0005407400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005454000000000 ] - [ -0.0000006400000000, 0.0000003700000000, 0.0005407400000000 ] - [ 0.0000006400000000, 0.0000003700000000, 0.0005407400000000 ] - [ 0.0000000000000000, -0.0000116600000000, 0.0002827000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003350700000000 ] - [ -0.0000101000000000, 0.0000058300000000, 0.0002827000000000 ] - [ 0.0000101000000000, 0.0000058300000000, 0.0002827000000000 ] - [ 0.0000070900000000, -0.0000040900000000, 0.0006334200000000 ] - [ -0.0000070900000000, -0.0000040900000000, 0.0006334200000000 ] - [ 0.0000000000000000, 0.0000081900000000, 0.0006334200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006459900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002149300000000 ] - [ 0.0000000000000000, -0.0000008300000000, 0.0002336100000000 ] - [ 0.0000007200000000, 0.0000004100000000, 0.0002336100000000 ] - [ -0.0000007200000000, 0.0000004100000000, 0.0002336100000000 ] - [ -0.0000088900000000, 0.0000051300000000, -0.0003845000000000 ] - [ 0.0000088900000000, 0.0000051300000000, -0.0003845000000000 ] - [ 0.0000000000000000, -0.0000102600000000, -0.0003845000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003721300000000 ] - [ 0.0000037000000000, -0.0000021400000000, -0.0000934100000000 ] - [ -0.0000037000000000, -0.0000021400000000, -0.0000934100000000 ] - [ 0.0000000000000000, 0.0000042700000000, -0.0000934100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001046100000000 ] - [ 0.0000000000000000, 0.0045980500000000, 0.0042891600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011051800000000 ] - [ 0.0039820300000000, -0.0022990200000000, 0.0042891600000000 ] - [ -0.0039820300000000, -0.0022990200000000, 0.0042891600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005420800000000 ] - [ 0.0000000000000000, 0.0002673600000000, 0.0010640700000000 ] - [ -0.0002315400000000, -0.0001336800000000, 0.0010640700000000 ] - [ 0.0002315400000000, -0.0001336800000000, 0.0010640700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005509000000000 ] - [ 0.0000000000000000, -0.0000101100000000, 0.0005631800000000 ] - [ 0.0000087600000000, 0.0000050600000000, 0.0005631800000000 ] - [ -0.0000087600000000, 0.0000050600000000, 0.0005631800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1021611500000000 ] - [ 0.0000000000000000, -0.0007687500000000, -0.0022855000000000 ] - [ 0.0006657600000000, 0.0003843800000000, -0.0022855000000000 ] - [ -0.0006657600000000, 0.0003843800000000, -0.0022855000000000 ] - [ 0.0000000000000000, 0.0000024700000000, 0.0002587400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002505300000000 ] - [ 0.0000021400000000, -0.0000012400000000, 0.0002587400000000 ] - [ -0.0000021400000000, -0.0000012400000000, 0.0002587400000000 ] - [ 0.0021276500000000, -0.0012284000000000, 0.0045232400000000 ] - [ -0.0021276500000000, -0.0012284000000000, 0.0045232400000000 ] - [ 0.0000000000000000, 0.0024568000000000, 0.0045232400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010275500000000 ] - [ 0.0000000000000000, 0.0000322100000000, 0.0003217000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002162100000000 ] - [ 0.0000278900000000, -0.0000161000000000, 0.0003217000000000 ] - [ -0.0000278900000000, -0.0000161000000000, 0.0003217000000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000057600000000, 0.0000192800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000172300000000 ] - [ -0.0000049900000000, 0.0000028800000000, 0.0000192800000000 ] - [ 0.0000049900000000, 0.0000028800000000, 0.0000192800000000 ] - [ -0.0005613600000000, 0.0003241000000000, 0.0011418300000000 ] - [ 0.0005613600000000, 0.0003241000000000, 0.0011418300000000 ] - [ 0.0000000000000000, -0.0006482100000000, 0.0011418300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004104400000000 ] - [ 0.0000000000000000, -0.0132765500000000, -0.0099081400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024993500000000 ] - [ -0.0114978300000000, 0.0066382800000000, -0.0099081400000000 ] - [ 0.0114978300000000, 0.0066382800000000, -0.0099081400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0455556300000000 ] - [ 0.0000000000000000, 0.0008035500000000, -0.0021476800000000 ] - [ -0.0006959000000000, -0.0004017800000000, -0.0021476800000000 ] - [ 0.0006959000000000, -0.0004017800000000, -0.0021476800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007959300000000 ] - [ 0.0000000000000000, -0.0000121400000000, 0.0007951700000000 ] - [ 0.0000105200000000, 0.0000060700000000, 0.0007951700000000 ] - [ -0.0000105200000000, 0.0000060700000000, 0.0007951700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006101000000000 ] - [ 0.0000000000000000, -0.0000222900000000, 0.0006214500000000 ] - [ 0.0000193000000000, 0.0000111400000000, 0.0006214500000000 ] - [ -0.0000193000000000, 0.0000111400000000, 0.0006214500000000 ] - [ 0.0000034800000000, -0.0000020100000000, 0.0002407600000000 ] - [ -0.0000034800000000, -0.0000020100000000, 0.0002407600000000 ] - [ 0.0000000000000000, 0.0000040100000000, 0.0002407600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002391400000000 ] - [ 0.0000000000000000, 0.0000105900000000, 0.0002431400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002335500000000 ] - [ 0.0000091800000000, -0.0000053000000000, 0.0002431400000000 ] - [ -0.0000091800000000, -0.0000053000000000, 0.0002431400000000 ] - [ -0.0009314900000000, 0.0005377900000000, 0.0006750900000000 ] - [ 0.0009314900000000, 0.0005377900000000, 0.0006750900000000 ] - [ 0.0000000000000000, -0.0010755900000000, 0.0006750900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002474300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000105500000000 ] - [ 0.0000000000000000, -0.0000850900000000, 0.0001202900000000 ] - [ 0.0000736900000000, 0.0000425400000000, 0.0001202900000000 ] - [ -0.0000736900000000, 0.0000425400000000, 0.0001202900000000 ] - [ 0.0000000000000000, -0.0000698300000000, 0.0004314900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004058100000000 ] - [ -0.0000604800000000, 0.0000349200000000, 0.0004314900000000 ] - [ 0.0000604800000000, 0.0000349200000000, 0.0004314900000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0008681100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008681500000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0008681100000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0008681100000000 ] - [ 0.0000008200000000, -0.0000004800000000, -0.0002952600000000 ] - [ -0.0000008200000000, -0.0000004800000000, -0.0002952600000000 ] - [ 0.0000000000000000, 0.0000009500000000, -0.0002952600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002975700000000 ] - [ -0.0000003900000000, 0.0000002200000000, -0.0000904800000000 ] - [ 0.0000003900000000, 0.0000002200000000, -0.0000904800000000 ] - [ 0.0000000000000000, -0.0000004500000000, -0.0000904800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000798500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001075100000000 ] - [ 0.0000000000000000, 0.0000012000000000, 0.0001030500000000 ] - [ -0.0000010400000000, -0.0000006000000000, 0.0001030500000000 ] - [ 0.0000010400000000, -0.0000006000000000, 0.0001030500000000 ] - [ 0.0000033900000000, -0.0000019600000000, 0.0004541200000000 ] - [ -0.0000033900000000, -0.0000019600000000, 0.0004541200000000 ] - [ 0.0000000000000000, 0.0000039100000000, 0.0004541200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004539400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003110200000000 ] - [ 0.0000000000000000, 0.0005294200000000, 0.0003703000000000 ] - [ -0.0004585000000000, -0.0002647100000000, 0.0003703000000000 ] - [ 0.0004585000000000, -0.0002647100000000, 0.0003703000000000 ] - [ 0.0000000000000000, -0.0000041800000000, -0.0000857900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000845900000000 ] - [ -0.0000036200000000, 0.0000020900000000, -0.0000857900000000 ] - [ 0.0000036200000000, 0.0000020900000000, -0.0000857900000000 ] - [ 0.0000030900000000, -0.0000017900000000, -0.0003968700000000 ] - [ -0.0000030900000000, -0.0000017900000000, -0.0003968700000000 ] - [ 0.0000000000000000, 0.0000035700000000, -0.0003968700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003781300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008191700000000 ] - [ 0.0000000000000000, -0.0000290200000000, -0.0008350800000000 ] - [ 0.0000251300000000, 0.0000145100000000, -0.0008350800000000 ] - [ -0.0000251300000000, 0.0000145100000000, -0.0008350800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000020900000000 ] - [ 0.0000000000000000, -0.0001098800000000, -0.0001437700000000 ] - [ 0.0000951600000000, 0.0000549400000000, -0.0001437700000000 ] - [ -0.0000951600000000, 0.0000549400000000, -0.0001437700000000 ] - [ 0.0000000000000000, -0.0000455100000000, -0.0003297700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003030400000000 ] - [ -0.0000394200000000, 0.0000227600000000, -0.0003297700000000 ] - [ 0.0000394200000000, 0.0000227600000000, -0.0003297700000000 ] - [ 0.0001545000000000, -0.0000892000000000, 0.0006841000000000 ] - [ -0.0001545000000000, -0.0000892000000000, 0.0006841000000000 ] - [ 0.0000000000000000, 0.0001784000000000, 0.0006841000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007778400000000 ] - [ 0.0000000000000000, -0.0000006900000000, -0.0003550400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003350700000000 ] - [ -0.0000005900000000, 0.0000003400000000, -0.0003550400000000 ] - [ 0.0000005900000000, 0.0000003400000000, -0.0003550400000000 ] - [ 0.0000000000000000, 0.0000132900000000, -0.0006108100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006579000000000 ] - [ 0.0000115100000000, -0.0000066400000000, -0.0006108100000000 ] - [ -0.0000115100000000, -0.0000066400000000, -0.0006108100000000 ] - [ -0.0000123200000000, 0.0000071100000000, -0.0001972000000000 ] - [ 0.0000123200000000, 0.0000071100000000, -0.0001972000000000 ] - [ 0.0000000000000000, -0.0000142200000000, -0.0001972000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002075200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006501500000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0006200400000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0006200400000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0006200400000000 ] - [ 0.0000350700000000, -0.0000202500000000, -0.0012283800000000 ] - [ -0.0000350700000000, -0.0000202500000000, -0.0012283800000000 ] - [ 0.0000000000000000, 0.0000404900000000, -0.0012283800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012292300000000 ] - [ -0.0000090700000000, 0.0000052400000000, -0.0007563400000000 ] - [ 0.0000090700000000, 0.0000052400000000, -0.0007563400000000 ] - [ 0.0000000000000000, -0.0000104700000000, -0.0007563400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007399800000000 ] - [ 0.0000000000000000, -0.0046656500000000, -0.0040527200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014377300000000 ] - [ -0.0040405700000000, 0.0023328200000000, -0.0040527200000000 ] - [ 0.0040405700000000, 0.0023328200000000, -0.0040527200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004306300000000 ] - [ 0.0000000000000000, -0.0002483600000000, -0.0000748200000000 ] - [ 0.0002150800000000, 0.0001241800000000, -0.0000748200000000 ] - [ -0.0002150800000000, 0.0001241800000000, -0.0000748200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000975200000000 ] - [ 0.0000000000000000, 0.0000297500000000, -0.0001111600000000 ] - [ -0.0000257600000000, -0.0000148700000000, -0.0001111600000000 ] - [ 0.0000257600000000, -0.0000148700000000, -0.0001111600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1003413800000000 ] - [ 0.0000000000000000, 0.0007500400000000, 0.0034096600000000 ] - [ -0.0006495500000000, -0.0003750200000000, 0.0034096600000000 ] - [ 0.0006495500000000, -0.0003750200000000, 0.0034096600000000 ] - [ 0.0000000000000000, -0.0000076600000000, -0.0006143800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006042700000000 ] - [ -0.0000066300000000, 0.0000038300000000, -0.0006143800000000 ] - [ 0.0000066300000000, 0.0000038300000000, -0.0006143800000000 ] - [ -0.0020983200000000, 0.0012114600000000, -0.0039067600000000 ] - [ 0.0020983200000000, 0.0012114600000000, -0.0039067600000000 ] - [ 0.0000000000000000, -0.0024229300000000, -0.0039067600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016011100000000 ] - [ 0.0000000000000000, -0.0000559000000000, -0.0005502500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004580400000000 ] - [ -0.0000484100000000, 0.0000279500000000, -0.0005502500000000 ] - [ 0.0000484100000000, 0.0000279500000000, -0.0005502500000000 ]- atom: 133 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000140300000000, 0.0000093300000000, -0.0004110800000000 ] - [ -0.0000142300000000, 0.0000101300000000, -0.0004115000000000 ] - [ -0.0000151500000000, 0.0000088900000000, -0.0004117200000000 ] - [ -0.0000136500000000, 0.0000088700000000, -0.0004119300000000 ] - [ -0.0000142600000000, 0.0000092600000000, 0.0003367400000000 ] - [ -0.0000149200000000, 0.0000094100000000, 0.0003352700000000 ] - [ -0.0000149200000000, 0.0000084300000000, 0.0003354500000000 ] - [ -0.0000144800000000, 0.0000079600000000, 0.0003363100000000 ] - [ 0.0000141400000000, -0.0000089500000000, 0.0000255000000000 ] - [ 0.0000164300000000, -0.0000092000000000, 0.0000249900000000 ] - [ 0.0000153900000000, -0.0000097100000000, 0.0000248600000000 ] - [ 0.0000153700000000, -0.0000083700000000, 0.0000248600000000 ] - [ 0.0000141200000000, -0.0000081100000000, 0.0004567500000000 ] - [ 0.0000164500000000, -0.0000090800000000, 0.0004564700000000 ] - [ 0.0000158300000000, -0.0000088800000000, 0.0004566900000000 ] - [ 0.0000148400000000, -0.0000077300000000, 0.0004563900000000 ] - [ -0.0000163500000000, 0.0000089500000000, 0.0004147700000000 ] - [ -0.0000155700000000, 0.0000091700000000, 0.0004146900000000 ] - [ -0.0000158900000000, 0.0000086200000000, 0.0004153700000000 ] - [ -0.0000160700000000, 0.0000092500000000, 0.0004145700000000 ] - [ -0.0000716100000000, 0.0000092500000000, 0.0001954200000000 ] - [ 0.0000816600000000, 0.0000103200000000, 0.0001956400000000 ] - [ -0.0000173400000000, -0.0000217100000000, 0.0001515500000000 ] - [ -0.0000158400000000, 0.0000420700000000, 0.0002397000000000 ] - [ -0.0000154100000000, 0.0000097500000000, -0.0001629700000000 ] - [ -0.0000158300000000, 0.0000091900000000, -0.0001623100000000 ] - [ -0.0000146700000000, 0.0000094300000000, -0.0001620300000000 ] - [ -0.0000161000000000, 0.0000093300000000, -0.0001624600000000 ] - [ -0.0000206600000000, 0.0000088700000000, -0.0001798000000000 ] - [ -0.0000107200000000, 0.0000101000000000, -0.0001805900000000 ] - [ -0.0000173600000000, 0.0000070900000000, -0.0001771900000000 ] - [ -0.0000145200000000, 0.0000132100000000, -0.0001829900000000 ] - [ 0.0000164200000000, -0.0000082800000000, 0.0003548300000000 ] - [ 0.0000153400000000, -0.0000085700000000, 0.0003571100000000 ] - [ 0.0000164000000000, -0.0000087600000000, 0.0003564200000000 ] - [ 0.0000154700000000, -0.0000093200000000, 0.0003555800000000 ] - [ -0.0000147000000000, 0.0000085600000000, -0.0003326200000000 ] - [ -0.0000149600000000, 0.0000088800000000, -0.0003330600000000 ] - [ -0.0000150400000000, 0.0000081600000000, -0.0003325900000000 ] - [ -0.0000145500000000, 0.0000079600000000, -0.0003323300000000 ] - [ 0.0000177700000000, -0.0000083000000000, 0.0000075600000000 ] - [ 0.0000130800000000, -0.0000079800000000, 0.0000085800000000 ] - [ 0.0000177300000000, -0.0000060200000000, -0.0000179000000000 ] - [ 0.0000181000000000, -0.0000117600000000, 0.0000350900000000 ] - [ 0.0036481500000000, 0.0000250400000000, 0.0003625700000000 ] - [ -0.0010799100000000, 0.0000100200000000, 0.0004535100000000 ] - [ 0.0000001200000000, 0.0006283700000000, -0.0000948800000000 ] - [ -0.0000036600000000, -0.0006166300000000, 0.0010164400000000 ] - [ 0.0302103900000000, 0.0167833400000000, -0.0139537900000000 ] - [ 0.0289758100000000, -0.0158767400000000, 0.0118556600000000 ] - [ -0.0004174000000000, -0.0000017300000000, -0.0007236900000000 ] - [ 0.0013144000000000, 0.0000971100000000, -0.0007181300000000 ] - [ 0.0000156500000000, -0.0000243400000000, -0.0005169000000000 ] - [ 0.0000155200000000, 0.0000069200000000, -0.0005102200000000 ] - [ -0.0000174300000000, -0.0000087400000000, -0.0005130100000000 ] - [ 0.0000424000000000, -0.0000088200000000, -0.0005144400000000 ] - [ 0.0007378300000000, -0.0000070800000000, -0.0002674700000000 ] - [ -0.0015721300000000, -0.0000060500000000, -0.0002689400000000 ] - [ 0.0000125300000000, 0.0004078400000000, -0.0000450900000000 ] - [ 0.0000131500000000, -0.0004293000000000, -0.0004885500000000 ] - [ 0.0002051000000000, 0.0001798700000000, -0.0008433500000000 ] - [ 0.0002043500000000, -0.0001612100000000, 0.0009776600000000 ] - [ -0.0000578900000000, 0.0000086900000000, 0.0000681700000000 ] - [ -0.0000906400000000, 0.0000101300000000, 0.0000732600000000 ] - [ 0.0000187000000000, -0.0000089300000000, -0.0000868500000000 ] - [ 0.0000140600000000, -0.0000088000000000, -0.0000868900000000 ] - [ 0.0000160500000000, -0.0000080200000000, -0.0000894700000000 ] - [ 0.0000163600000000, -0.0000107000000000, -0.0000833700000000 ] - [ 0.0000548600000000, -0.0000086300000000, -0.0005079900000000 ] - [ -0.0000229800000000, -0.0000095700000000, -0.0005083600000000 ] - [ -0.0000145900000000, -0.0000048200000000, -0.0005511900000000 ] - [ -0.0000162600000000, -0.0000137000000000, -0.0004655000000000 ] - [ 0.0017281700000000, 0.0014579800000000, 0.0034684200000000 ] - [ 0.0017230400000000, -0.0014495600000000, -0.0033755600000000 ] - [ 0.0000709900000000, -0.0000068000000000, 0.0000401100000000 ] - [ -0.0007926700000000, 0.0000017700000000, 0.0000156500000000 ] - [ -0.0001039100000000, 0.0000007800000000, -0.0003644500000000 ] - [ 0.0004284800000000, 0.0000022300000000, -0.0003643600000000 ] - [ -0.0000082400000000, -0.0000505300000000, -0.0003981500000000 ] - [ -0.0000063900000000, 0.0000608400000000, -0.0003301500000000 ] - [ -0.0000020500000000, 0.0000035900000000, 0.0003331200000000 ] - [ -0.0000080000000000, 0.0000022000000000, 0.0003307700000000 ] - [ -0.0000047600000000, 0.0000051500000000, 0.0003384800000000 ] - [ -0.0000073700000000, 0.0000002000000000, 0.0003290700000000 ] - [ 0.0000086900000000, 0.0000020800000000, -0.0000425300000000 ] - [ 0.0000021500000000, -0.0000049500000000, -0.0000417200000000 ] - [ 0.0000124000000000, -0.0000031600000000, -0.0000434600000000 ] - [ -0.0000008800000000, -0.0000071300000000, -0.0000418200000000 ] - [ -0.0000082000000000, 0.0000016000000000, 0.0007980300000000 ] - [ -0.0000039300000000, 0.0000009700000000, 0.0007888400000000 ] - [ -0.0000056800000000, 0.0000046300000000, 0.0007927500000000 ] - [ -0.0000069200000000, 0.0000068300000000, 0.0007917700000000 ] - [ -0.0000091800000000, 0.0000015900000000, 0.0001340700000000 ] - [ -0.0000033400000000, 0.0000036800000000, 0.0001344700000000 ] - [ 0.0000071800000000, 0.0000101500000000, 0.0000869000000000 ] - [ 0.0000107600000000, -0.0000046000000000, 0.0001790400000000 ] - [ 0.0000054600000000, -0.0000035000000000, -0.0001499900000000 ] - [ 0.0000031000000000, -0.0000043200000000, -0.0001500400000000 ] - [ 0.0000192100000000, 0.0000057100000000, -0.0000754900000000 ] - [ 0.0000176800000000, -0.0000115800000000, -0.0002235300000000 ] - [ 0.0000058900000000, -0.0000053000000000, 0.0002210700000000 ] - [ 0.0000052400000000, -0.0000012100000000, 0.0002182700000000 ] - [ 0.0000021300000000, -0.0000032900000000, 0.0002195100000000 ] - [ 0.0000087100000000, -0.0000036700000000, 0.0002208100000000 ] - [ 0.0000071300000000, -0.0000023600000000, -0.0001991200000000 ] - [ 0.0000042500000000, -0.0000029400000000, -0.0002044500000000 ] - [ 0.0000065600000000, -0.0000039400000000, -0.0002031500000000 ] - [ 0.0000053600000000, -0.0000055600000000, -0.0002033900000000 ] - [ 0.0000032600000000, 0.0000010300000000, -0.0007944700000000 ] - [ 0.0000075500000000, -0.0000072000000000, -0.0008027900000000 ] - [ 0.0000149700000000, -0.0000053500000000, -0.0007995700000000 ] - [ -0.0000015200000000, -0.0000020200000000, -0.0007962100000000 ] - [ 0.0022496600000000, 0.0015378400000000, -0.0025942700000000 ] - [ 0.0022412500000000, -0.0015232400000000, 0.0016091600000000 ] - [ -0.0000067300000000, 0.0000046700000000, -0.0004838100000000 ] - [ -0.0004055500000000, 0.0000063400000000, -0.0004871100000000 ] - [ -0.0000022100000000, 0.0000045100000000, 0.0001489900000000 ] - [ -0.0000094600000000, 0.0000027100000000, 0.0001470800000000 ] - [ -0.0000044100000000, 0.0000047100000000, 0.0001492000000000 ] - [ -0.0000074600000000, 0.0000003300000000, 0.0001503600000000 ] - [ 0.0000075500000000, -0.0000052600000000, 0.0005102700000000 ] - [ 0.0000031800000000, -0.0000054800000000, 0.0005058500000000 ] - [ 0.0000053900000000, -0.0000011900000000, 0.0005080500000000 ] - [ 0.0000052100000000, -0.0000036400000000, 0.0005104800000000 ] - [ -0.0000743700000000, -0.0000017900000000, 0.0001893500000000 ] - [ 0.0003751800000000, -0.0000038400000000, 0.0001888900000000 ] - [ 0.0000062700000000, -0.0000481800000000, 0.0002556500000000 ] - [ 0.0000008500000000, 0.0000415400000000, 0.0001234000000000 ] - [ -0.0000033100000000, 0.0000032300000000, 0.0005107700000000 ] - [ -0.0000080700000000, 0.0000055800000000, 0.0005127300000000 ] - [ -0.0000079400000000, 0.0000031900000000, 0.0005123300000000 ] - [ -0.0000036400000000, 0.0000006800000000, 0.0005132800000000 ] - [ -0.0950001700000000, -0.0010747900000000, 0.0005987800000000 ] - [ 0.0166209200000000, -0.0000033600000000, -0.0001625300000000 ] - [ 0.0043960800000000, -0.0070528800000000, 0.0005454800000000 ] - [ 0.0044012800000000, 0.0070605600000000, -0.0008676800000000 ] - [ -0.0000057600000000, 0.0000028900000000, 0.0002968700000000 ] - [ -0.0000070100000000, 0.0000023000000000, 0.0002955500000000 ] - [ -0.0000058700000000, 0.0000048600000000, 0.0002952100000000 ] - [ -0.0000064800000000, 0.0000034300000000, 0.0002945000000000 ] - [ 0.0000035100000000, -0.0000020400000000, -0.0001026500000000 ] - [ 0.0000076500000000, -0.0000074400000000, -0.0001010600000000 ] - [ 0.0000102200000000, -0.0000029200000000, -0.0000984800000000 ] - [ 0.0000006700000000, -0.0000005800000000, -0.0001026600000000 ]- atom: 133 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008259500000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0008279900000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0008279900000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0008279900000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0000798100000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0000798100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000809800000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0000798100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004003500000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0003996400000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0003996400000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0003996400000000 ] - [ 0.0000000000000000, 0.0000008000000000, 0.0000322100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000319100000000 ] - [ 0.0000006900000000, -0.0000004000000000, 0.0000322100000000 ] - [ -0.0000006900000000, -0.0000004000000000, 0.0000322100000000 ] - [ 0.0000000000000000, -0.0000013600000000, -0.0000094700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000083800000000 ] - [ -0.0000011800000000, 0.0000006800000000, -0.0000094700000000 ] - [ 0.0000011800000000, 0.0000006800000000, -0.0000094700000000 ] - [ 0.0000000000000000, 0.0000684500000000, -0.0000966700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006539000000000 ] - [ 0.0000592800000000, -0.0000342200000000, -0.0000966700000000 ] - [ -0.0000592800000000, -0.0000342200000000, -0.0000966700000000 ] - [ -0.0000002200000000, -0.0000001300000000, -0.0005776700000000 ] - [ 0.0000002200000000, -0.0000001300000000, -0.0005776700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005774500000000 ] - [ 0.0000000000000000, 0.0000002500000000, -0.0005776700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005974800000000 ] - [ 0.0000000000000000, 0.0000216500000000, -0.0006105700000000 ] - [ -0.0000187500000000, -0.0000108300000000, -0.0006105700000000 ] - [ 0.0000187500000000, -0.0000108300000000, -0.0006105700000000 ] - [ 0.0000002900000000, 0.0000001700000000, -0.0000584300000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0000584300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000563600000000 ] - [ 0.0000000000000000, -0.0000003300000000, -0.0000584300000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0007462000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007465400000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0007462000000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0007462000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003474900000000 ] - [ 0.0000000000000000, -0.0000181000000000, -0.0004340400000000 ] - [ 0.0000156700000000, 0.0000090500000000, -0.0004340400000000 ] - [ -0.0000156700000000, 0.0000090500000000, -0.0004340400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0481880700000000 ] - [ 0.0000000000000000, 0.0008520600000000, 0.0031842900000000 ] - [ -0.0007379000000000, -0.0004260300000000, 0.0031842900000000 ] - [ 0.0007379000000000, -0.0004260300000000, 0.0031842900000000 ] - [ -0.0113216400000000, -0.0065365500000000, 0.0092734500000000 ] - [ 0.0113216400000000, -0.0065365500000000, 0.0092734500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017149100000000 ] - [ 0.0000000000000000, 0.0130731000000000, 0.0092734500000000 ] - [ -0.0000586800000000, -0.0000338800000000, -0.0009381400000000 ] - [ 0.0000586800000000, -0.0000338800000000, -0.0009381400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009132900000000 ] - [ 0.0000000000000000, 0.0000677600000000, -0.0009381400000000 ] - [ 0.0000000000000000, 0.0010869300000000, -0.0005963200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003141400000000 ] - [ 0.0009413100000000, -0.0005434600000000, -0.0005963200000000 ] - [ -0.0009413100000000, -0.0005434600000000, -0.0005963200000000 ] - [ 0.0007415600000000, 0.0004281400000000, -0.0006963000000000 ] - [ -0.0007415600000000, 0.0004281400000000, -0.0006963000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007059700000000 ] - [ 0.0000000000000000, -0.0008562800000000, -0.0006963000000000 ] - [ 0.0000000000000000, -0.0000039500000000, -0.0005038100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005032600000000 ] - [ -0.0000034200000000, 0.0000019800000000, -0.0005038100000000 ] - [ 0.0000034200000000, 0.0000019800000000, -0.0005038100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008908200000000 ] - [ 0.0000000000000000, -0.0005226400000000, -0.0009505900000000 ] - [ 0.0004526200000000, 0.0002613200000000, -0.0009505900000000 ] - [ -0.0004526200000000, 0.0002613200000000, -0.0009505900000000 ] - [ 0.0020791900000000, 0.0012004200000000, 0.0043536200000000 ] - [ -0.0020791900000000, 0.0012004200000000, 0.0043536200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013373800000000 ] - [ 0.0000000000000000, -0.0024008500000000, 0.0043536200000000 ] - [ 0.0000000000000000, -0.0001423300000000, -0.0003193400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011484200000000 ] - [ -0.0001232600000000, 0.0000711600000000, -0.0003193400000000 ] - [ 0.0001232600000000, 0.0000711600000000, -0.0003193400000000 ] - [ 0.0000000000000000, -0.0000113900000000, 0.0007391800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007318400000000 ] - [ -0.0000098700000000, 0.0000057000000000, 0.0007391800000000 ] - [ 0.0000098700000000, 0.0000057000000000, 0.0007391800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004074100000000 ] - [ 0.0000000000000000, 0.0000006600000000, 0.0004099700000000 ] - [ -0.0000005700000000, -0.0000003300000000, 0.0004099700000000 ] - [ 0.0000005700000000, -0.0000003300000000, 0.0004099700000000 ] - [ 0.0000026100000000, 0.0000015100000000, 0.0011740600000000 ] - [ -0.0000026100000000, 0.0000015100000000, 0.0011740600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011671100000000 ] - [ 0.0000000000000000, -0.0000030200000000, 0.0011740600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003889300000000 ] - [ 0.0000000000000000, 0.0001050000000000, 0.0005713400000000 ] - [ -0.0000909300000000, -0.0000525000000000, 0.0005713400000000 ] - [ 0.0000909300000000, -0.0000525000000000, 0.0005713400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001294200000000 ] - [ 0.0000000000000000, -0.0000569400000000, 0.0003121200000000 ] - [ 0.0000493100000000, 0.0000284700000000, 0.0003121200000000 ] - [ -0.0000493100000000, 0.0000284700000000, 0.0003121200000000 ] - [ 0.0000019900000000, 0.0000011500000000, 0.0006212900000000 ] - [ -0.0000019900000000, 0.0000011500000000, 0.0006212900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006199700000000 ] - [ 0.0000000000000000, -0.0000022900000000, 0.0006212900000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0002294900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002372000000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0002294900000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0002294900000000 ] - [ 0.0000089700000000, 0.0000051800000000, -0.0003822400000000 ] - [ -0.0000089700000000, 0.0000051800000000, -0.0003822400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003299600000000 ] - [ 0.0000000000000000, -0.0000103600000000, -0.0003822400000000 ] - [ -0.0039792800000000, -0.0022974400000000, 0.0037237000000000 ] - [ 0.0039792800000000, -0.0022974400000000, 0.0037237000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017570600000000 ] - [ 0.0000000000000000, 0.0045948700000000, 0.0037237000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005642500000000 ] - [ 0.0000000000000000, 0.0000009100000000, 0.0005697900000000 ] - [ -0.0000007900000000, -0.0000004600000000, 0.0005697900000000 ] - [ 0.0000007900000000, -0.0000004600000000, 0.0005697900000000 ] - [ 0.0000000000000000, -0.0000014700000000, 0.0009160600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009191200000000 ] - [ -0.0000012700000000, 0.0000007400000000, 0.0009160600000000 ] - [ 0.0000012700000000, 0.0000007400000000, 0.0009160600000000 ] - [ 0.0000000000000000, 0.0000345500000000, 0.0002682500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017870500000000 ] - [ 0.0000299200000000, -0.0000172800000000, 0.0002682500000000 ] - [ -0.0000299200000000, -0.0000172800000000, 0.0002682500000000 ] - [ 0.0000000000000000, 0.0000043700000000, 0.0009839000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009824300000000 ] - [ 0.0000037800000000, -0.0000021800000000, 0.0009839000000000 ] - [ -0.0000037800000000, -0.0000021800000000, 0.0009839000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1022079000000000 ] - [ 0.0000000000000000, -0.0008183600000000, -0.0030871300000000 ] - [ 0.0007087200000000, 0.0004091800000000, -0.0030871300000000 ] - [ -0.0007087200000000, 0.0004091800000000, -0.0030871300000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0007142900000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0007142900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007132000000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0007142900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002983900000000 ] - [ 0.0000000000000000, 0.0000032300000000, 0.0002989200000000 ] - [ -0.0000028000000000, -0.0000016200000000, 0.0002989200000000 ] - [ 0.0000028000000000, -0.0000016200000000, 0.0002989200000000 ]- atom: 133 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000063700000000 ] - [ 0.0000000000000000, 0.0000087100000000, 0.0000031400000000 ] - [ -0.0000075400000000, -0.0000043600000000, 0.0000031400000000 ] - [ 0.0000075400000000, -0.0000043600000000, 0.0000031400000000 ] - [ 0.0000034000000000, 0.0000019600000000, 0.0007379100000000 ] - [ -0.0000034000000000, 0.0000019600000000, 0.0007379100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007298500000000 ] - [ 0.0000000000000000, -0.0000039300000000, 0.0007379100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004960500000000 ] - [ 0.0000000000000000, -0.0000029400000000, 0.0004920400000000 ] - [ 0.0000025400000000, 0.0000014700000000, 0.0004920400000000 ] - [ -0.0000025400000000, 0.0000014700000000, 0.0004920400000000 ] - [ 0.0000000000000000, 0.0000056600000000, 0.0008665600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008639300000000 ] - [ 0.0000049000000000, -0.0000028300000000, 0.0008665600000000 ] - [ -0.0000049000000000, -0.0000028300000000, 0.0008665600000000 ] - [ 0.0000000000000000, -0.0000044900000000, 0.0008592400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008569700000000 ] - [ -0.0000038900000000, 0.0000022400000000, 0.0008592400000000 ] - [ 0.0000038900000000, 0.0000022400000000, 0.0008592400000000 ] - [ 0.0000000000000000, -0.0000658600000000, 0.0004746900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010283300000000 ] - [ -0.0000570400000000, 0.0000329300000000, 0.0004746900000000 ] - [ 0.0000570400000000, 0.0000329300000000, 0.0004746900000000 ] - [ -0.0000011000000000, -0.0000006300000000, 0.0002646400000000 ] - [ 0.0000011000000000, -0.0000006300000000, 0.0002646400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002693000000000 ] - [ 0.0000000000000000, 0.0000012700000000, 0.0002646400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002254100000000 ] - [ 0.0000000000000000, -0.0000139700000000, 0.0002379700000000 ] - [ 0.0000121000000000, 0.0000069800000000, 0.0002379700000000 ] - [ -0.0000121000000000, 0.0000069800000000, 0.0002379700000000 ] - [ 0.0000022800000000, 0.0000013100000000, 0.0007791300000000 ] - [ -0.0000022800000000, 0.0000013100000000, 0.0007791300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007768100000000 ] - [ 0.0000000000000000, -0.0000026300000000, 0.0007791300000000 ] - [ 0.0000000000000000, -0.0000019400000000, 0.0000780300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000774800000000 ] - [ -0.0000016800000000, 0.0000009700000000, 0.0000780300000000 ] - [ 0.0000016800000000, 0.0000009700000000, 0.0000780300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003493000000000 ] - [ 0.0000000000000000, 0.0000155000000000, 0.0004328700000000 ] - [ -0.0000134200000000, -0.0000077500000000, 0.0004328700000000 ] - [ 0.0000134200000000, -0.0000077500000000, 0.0004328700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0447632900000000 ] - [ 0.0000000000000000, -0.0008484000000000, -0.0022772000000000 ] - [ 0.0007347300000000, 0.0004242000000000, -0.0022772000000000 ] - [ -0.0007347300000000, 0.0004242000000000, -0.0022772000000000 ] - [ 0.0114753200000000, 0.0066252800000000, -0.0106106900000000 ] - [ -0.0114753200000000, 0.0066252800000000, -0.0106106900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031930900000000 ] - [ 0.0000000000000000, -0.0132505600000000, -0.0106106900000000 ] - [ 0.0000589600000000, 0.0000340400000000, -0.0001107300000000 ] - [ -0.0000589600000000, 0.0000340400000000, -0.0001107300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001257600000000 ] - [ 0.0000000000000000, -0.0000680900000000, -0.0001107300000000 ] - [ 0.0000000000000000, -0.0010839900000000, 0.0000903100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008242900000000 ] - [ -0.0009387600000000, 0.0005419900000000, 0.0000903100000000 ] - [ 0.0009387600000000, 0.0005419900000000, 0.0000903100000000 ] - [ -0.0007325000000000, -0.0004229100000000, 0.0008642000000000 ] - [ 0.0007325000000000, -0.0004229100000000, 0.0008642000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005334900000000 ] - [ 0.0000000000000000, 0.0008458200000000, 0.0008642000000000 ] - [ 0.0000000000000000, 0.0000086200000000, 0.0003169500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003165700000000 ] - [ 0.0000074600000000, -0.0000043100000000, 0.0003169500000000 ] - [ -0.0000074600000000, -0.0000043100000000, 0.0003169500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001447200000000 ] - [ 0.0000000000000000, 0.0005179500000000, -0.0000867700000000 ] - [ -0.0004485600000000, -0.0002589800000000, -0.0000867700000000 ] - [ 0.0004485600000000, -0.0002589800000000, -0.0000867700000000 ] - [ -0.0020342500000000, -0.0011744800000000, -0.0042207500000000 ] - [ 0.0020342500000000, -0.0011744800000000, -0.0042207500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013998100000000 ] - [ 0.0000000000000000, 0.0023489500000000, -0.0042207500000000 ] - [ 0.0000000000000000, 0.0001574200000000, -0.0004447500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019236600000000 ] - [ 0.0001363300000000, -0.0000787100000000, -0.0004447500000000 ] - [ -0.0001363300000000, -0.0000787100000000, -0.0004447500000000 ] - [ 0.0000000000000000, 0.0000155800000000, -0.0001092600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000996500000000 ] - [ 0.0000135000000000, -0.0000077900000000, -0.0001092600000000 ] - [ -0.0000135000000000, -0.0000077900000000, -0.0001092600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004080000000000 ] - [ 0.0000000000000000, 0.0000083400000000, -0.0004140700000000 ] - [ -0.0000072200000000, -0.0000041700000000, -0.0004140700000000 ] - [ 0.0000072200000000, -0.0000041700000000, -0.0004140700000000 ] - [ -0.0000003600000000, -0.0000002100000000, 0.0003788500000000 ] - [ 0.0000003600000000, -0.0000002100000000, 0.0003788500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003908000000000 ] - [ 0.0000000000000000, 0.0000004100000000, 0.0003788500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001870400000000 ] - [ 0.0000000000000000, -0.0001086300000000, -0.0003491700000000 ] - [ 0.0000940800000000, 0.0000543200000000, -0.0003491700000000 ] - [ -0.0000940800000000, 0.0000543200000000, -0.0003491700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004701300000000 ] - [ 0.0000000000000000, 0.0000557800000000, -0.0006402000000000 ] - [ -0.0000483100000000, -0.0000278900000000, -0.0006402000000000 ] - [ 0.0000483100000000, -0.0000278900000000, -0.0006402000000000 ] - [ -0.0000035400000000, -0.0000020400000000, -0.0002011000000000 ] - [ 0.0000035400000000, -0.0000020400000000, -0.0002011000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002070400000000 ] - [ 0.0000000000000000, 0.0000040900000000, -0.0002011000000000 ] - [ 0.0000000000000000, 0.0000029800000000, -0.0006285700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006184600000000 ] - [ 0.0000025800000000, -0.0000014900000000, -0.0006285700000000 ] - [ -0.0000025800000000, -0.0000014900000000, -0.0006285700000000 ] - [ -0.0000076300000000, -0.0000044000000000, -0.0012034400000000 ] - [ 0.0000076300000000, -0.0000044000000000, -0.0012034400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012563000000000 ] - [ 0.0000000000000000, 0.0000088100000000, -0.0012034400000000 ] - [ 0.0040231600000000, 0.0023227700000000, -0.0046669500000000 ] - [ -0.0040231600000000, 0.0023227700000000, -0.0046669500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008822000000000 ] - [ 0.0000000000000000, -0.0046455500000000, -0.0046669500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002790200000000 ] - [ 0.0000000000000000, -0.0000006500000000, -0.0002755900000000 ] - [ 0.0000005700000000, 0.0000003300000000, -0.0002755900000000 ] - [ -0.0000005700000000, 0.0000003300000000, -0.0002755900000000 ] - [ 0.0000000000000000, 0.0000110100000000, 0.0000779000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001001300000000 ] - [ 0.0000095300000000, -0.0000055000000000, 0.0000779000000000 ] - [ -0.0000095300000000, -0.0000055000000000, 0.0000779000000000 ] - [ 0.0000000000000000, -0.0000300000000000, 0.0001606200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013437200000000 ] - [ -0.0000259800000000, 0.0000150000000000, 0.0001606200000000 ] - [ 0.0000259800000000, 0.0000150000000000, 0.0001606200000000 ] - [ 0.0000000000000000, -0.0000021800000000, 0.0001142100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001122900000000 ] - [ -0.0000018900000000, 0.0000010900000000, 0.0001142100000000 ] - [ 0.0000018900000000, 0.0000010900000000, 0.0001142100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0989390800000000 ] - [ 0.0000000000000000, 0.0008210800000000, 0.0027462800000000 ] - [ -0.0007110700000000, -0.0004105400000000, 0.0027462800000000 ] - [ 0.0007110700000000, -0.0004105400000000, 0.0027462800000000 ] - [ -0.0000019000000000, -0.0000011000000000, -0.0001385500000000 ] - [ 0.0000019000000000, -0.0000011000000000, -0.0001385500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001211400000000 ] - [ 0.0000000000000000, 0.0000022000000000, -0.0001385500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005252900000000 ] - [ 0.0000000000000000, 0.0000096500000000, -0.0005299300000000 ] - [ -0.0000083600000000, -0.0000048300000000, -0.0005299300000000 ] - [ 0.0000083600000000, -0.0000048300000000, -0.0005299300000000 ]- atom: 137 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000158600000000, 0.0000407800000000, -0.0003633200000000 ] - [ -0.0000161900000000, -0.0000225000000000, -0.0004519400000000 ] - [ 0.0000818900000000, 0.0000097100000000, -0.0004073700000000 ] - [ -0.0000708200000000, 0.0000093200000000, -0.0004082800000000 ] - [ 0.0036589200000000, 0.0000258400000000, 0.0002428300000000 ] - [ -0.0010780700000000, 0.0000102000000000, 0.0003337600000000 ] - [ 0.0000002400000000, 0.0006274500000000, -0.0002145700000000 ] - [ -0.0000045100000000, -0.0006149000000000, 0.0008959300000000 ] - [ 0.0000129500000000, -0.0004280800000000, -0.0002087300000000 ] - [ 0.0000125900000000, 0.0004069900000000, 0.0002332700000000 ] - [ -0.0015698700000000, -0.0000070400000000, 0.0000100700000000 ] - [ 0.0007360000000000, -0.0000076700000000, 0.0000123200000000 ] - [ 0.0289363400000000, -0.0158521200000000, 0.0130268200000000 ] - [ 0.0301696400000000, 0.0167570500000000, -0.0127694700000000 ] - [ 0.0013182100000000, 0.0000964600000000, 0.0004601700000000 ] - [ -0.0004167800000000, -0.0000019600000000, 0.0004543800000000 ] - [ -0.0000159800000000, 0.0000077200000000, 0.0003995300000000 ] - [ -0.0000158800000000, 0.0000103300000000, 0.0004056700000000 ] - [ -0.0000181500000000, 0.0000090100000000, 0.0004026300000000 ] - [ -0.0000134300000000, 0.0000091000000000, 0.0004026200000000 ] - [ -0.0000148400000000, 0.0000091900000000, 0.0001953700000000 ] - [ -0.0000149600000000, 0.0000107000000000, 0.0001946400000000 ] - [ -0.0000162100000000, 0.0000099400000000, 0.0001950000000000 ] - [ -0.0000136800000000, 0.0000099100000000, 0.0001950100000000 ] - [ -0.0000195500000000, 0.0000094200000000, -0.0001610900000000 ] - [ -0.0000114100000000, 0.0000094600000000, -0.0001609300000000 ] - [ -0.0000134900000000, 0.0000082100000000, -0.0001876800000000 ] - [ -0.0000134500000000, 0.0000106500000000, -0.0001346800000000 ] - [ -0.0000159500000000, 0.0000096600000000, -0.0001867900000000 ] - [ -0.0000157200000000, 0.0000099000000000, -0.0001846200000000 ] - [ -0.0000159700000000, 0.0000097000000000, -0.0001856500000000 ] - [ -0.0000155500000000, 0.0000098600000000, -0.0001856600000000 ] - [ 0.0000556200000000, -0.0000087500000000, 0.0003624200000000 ] - [ -0.0000228900000000, -0.0000088200000000, 0.0003623500000000 ] - [ -0.0000148000000000, -0.0000040400000000, 0.0003199600000000 ] - [ -0.0000148300000000, -0.0000133700000000, 0.0004050800000000 ] - [ 0.0002052600000000, -0.0001608800000000, 0.0005810700000000 ] - [ 0.0002049500000000, 0.0001794400000000, -0.0012370000000000 ] - [ -0.0000896100000000, 0.0000098500000000, -0.0003215600000000 ] - [ -0.0000577700000000, 0.0000077400000000, -0.0003271200000000 ] - [ 0.0000150100000000, -0.0000069200000000, 0.0000096000000000 ] - [ 0.0000150600000000, -0.0000101600000000, 0.0000115200000000 ] - [ 0.0000183200000000, -0.0000085600000000, 0.0000106000000000 ] - [ 0.0000122100000000, -0.0000085800000000, 0.0000105600000000 ] - [ -0.0000141100000000, 0.0000083900000000, 0.0004631300000000 ] - [ -0.0000141400000000, 0.0000083400000000, 0.0004631600000000 ] - [ -0.0000141200000000, 0.0000082700000000, 0.0004632200000000 ] - [ -0.0000142000000000, 0.0000082700000000, 0.0004631700000000 ] - [ 0.0000143800000000, -0.0000080200000000, -0.0007293800000000 ] - [ 0.0000147500000000, -0.0000081400000000, -0.0007294100000000 ] - [ 0.0000148200000000, -0.0000080300000000, -0.0007293600000000 ] - [ 0.0000146600000000, -0.0000080100000000, -0.0007294100000000 ] - [ 0.0000154900000000, -0.0000087200000000, -0.0005095300000000 ] - [ 0.0000154300000000, -0.0000086800000000, -0.0005096800000000 ] - [ 0.0000154900000000, -0.0000086300000000, -0.0005094400000000 ] - [ 0.0000154900000000, -0.0000087400000000, -0.0005098000000000 ] - [ 0.0000156100000000, -0.0000087400000000, -0.0002755300000000 ] - [ 0.0000155700000000, -0.0000085800000000, -0.0002755500000000 ] - [ 0.0000154600000000, -0.0000086600000000, -0.0002754900000000 ] - [ 0.0000155500000000, -0.0000086900000000, -0.0002755500000000 ] - [ -0.0000158200000000, 0.0000086000000000, 0.0000623100000000 ] - [ -0.0000152800000000, 0.0000085800000000, 0.0000623100000000 ] - [ -0.0000153200000000, 0.0000085700000000, 0.0000622400000000 ] - [ -0.0000153900000000, 0.0000086600000000, 0.0000623900000000 ] - [ 0.0000162900000000, 0.0000061700000000, -0.0000756600000000 ] - [ 0.0000163000000000, -0.0000245700000000, -0.0000828300000000 ] - [ 0.0000428900000000, -0.0000090800000000, -0.0000792600000000 ] - [ -0.0000162000000000, -0.0000090400000000, -0.0000792400000000 ] - [ 0.0000154400000000, -0.0000091300000000, -0.0004993400000000 ] - [ 0.0000154300000000, -0.0000091000000000, -0.0004994900000000 ] - [ 0.0000154900000000, -0.0000091700000000, -0.0004994300000000 ] - [ 0.0000154200000000, -0.0000091700000000, -0.0004994600000000 ] - [ 0.0000041700000000, -0.0000032300000000, 0.0000363300000000 ] - [ 0.0000060100000000, -0.0000026700000000, 0.0000359100000000 ] - [ 0.0000046400000000, -0.0000048400000000, 0.0000362900000000 ] - [ 0.0000055400000000, -0.0000038600000000, 0.0000350600000000 ] - [ -0.0000064400000000, 0.0000025900000000, -0.0003712100000000 ] - [ -0.0000053300000000, 0.0000028400000000, -0.0003707100000000 ] - [ -0.0000059600000000, 0.0000033900000000, -0.0003707300000000 ] - [ -0.0000055700000000, 0.0000041200000000, -0.0003714400000000 ] - [ -0.0000066500000000, 0.0000002600000000, 0.0003233800000000 ] - [ -0.0000050900000000, 0.0000055900000000, 0.0003310400000000 ] - [ -0.0000104600000000, 0.0000021800000000, 0.0003276900000000 ] - [ 0.0000018700000000, 0.0000030600000000, 0.0003284500000000 ] - [ 0.0000064000000000, -0.0000021200000000, -0.0000190700000000 ] - [ 0.0000050900000000, -0.0000036400000000, -0.0000247500000000 ] - [ 0.0000067900000000, -0.0000032600000000, -0.0000227900000000 ] - [ 0.0000043300000000, -0.0000040700000000, -0.0000214800000000 ] - [ -0.0000107200000000, 0.0000027600000000, 0.0007808700000000 ] - [ -0.0000028800000000, 0.0000025700000000, 0.0007801000000000 ] - [ 0.0000089700000000, 0.0000110300000000, 0.0007324200000000 ] - [ 0.0000085100000000, -0.0000024500000000, 0.0008279300000000 ] - [ -0.0000054500000000, 0.0000022000000000, 0.0001246400000000 ] - [ -0.0000060200000000, 0.0000029000000000, 0.0001248700000000 ] - [ -0.0000064200000000, 0.0000030400000000, 0.0001245100000000 ] - [ -0.0000052000000000, 0.0000026400000000, 0.0001236600000000 ] - [ 0.0000062200000000, -0.0000036700000000, -0.0001565500000000 ] - [ 0.0000050800000000, -0.0000037500000000, -0.0001522600000000 ] - [ 0.0000052900000000, -0.0000029300000000, -0.0001538300000000 ] - [ 0.0000055700000000, -0.0000034800000000, -0.0001545500000000 ] - [ 0.0000049500000000, -0.0000037100000000, 0.0002155000000000 ] - [ 0.0000038900000000, -0.0000028200000000, 0.0002143000000000 ] - [ 0.0000175700000000, 0.0000048200000000, 0.0002881000000000 ] - [ 0.0000188500000000, -0.0000117200000000, 0.0001423400000000 ] - [ 0.0000060900000000, -0.0000060400000000, -0.0001918300000000 ] - [ 0.0000054100000000, -0.0000010900000000, -0.0002069400000000 ] - [ 0.0000015200000000, -0.0000037100000000, -0.0001994600000000 ] - [ 0.0000128600000000, -0.0000041200000000, -0.0001998300000000 ] - [ 0.0000048600000000, -0.0000026800000000, -0.0007979200000000 ] - [ 0.0000061100000000, -0.0000039200000000, -0.0007977300000000 ] - [ 0.0000065300000000, -0.0000039500000000, -0.0007985400000000 ] - [ 0.0000044600000000, -0.0000030600000000, -0.0007965600000000 ] - [ -0.0000057800000000, 0.0000027700000000, -0.0004692100000000 ] - [ -0.0000066500000000, 0.0000038700000000, -0.0004683500000000 ] - [ -0.0000070700000000, 0.0000038700000000, -0.0004679200000000 ] - [ -0.0000052100000000, 0.0000033300000000, -0.0004689900000000 ] - [ -0.0000068400000000, 0.0000579300000000, 0.0001836500000000 ] - [ -0.0000082900000000, -0.0000504300000000, 0.0001123500000000 ] - [ 0.0004255800000000, 0.0000031800000000, 0.0001477000000000 ] - [ -0.0001013600000000, 0.0000019900000000, 0.0001486900000000 ] - [ 0.0017199700000000, -0.0014509600000000, -0.0029074300000000 ] - [ 0.0017269200000000, 0.0014543100000000, 0.0039243000000000 ] - [ -0.0007925900000000, 0.0000033300000000, 0.0004808600000000 ] - [ 0.0000728400000000, -0.0000041300000000, 0.0005031000000000 ] - [ 0.0000061100000000, -0.0000027300000000, 0.0001996600000000 ] - [ 0.0000060300000000, -0.0000043100000000, 0.0002003900000000 ] - [ 0.0000074100000000, -0.0000032000000000, 0.0002005000000000 ] - [ 0.0000047700000000, -0.0000032900000000, 0.0002003300000000 ] - [ 0.0022410500000000, -0.0015225200000000, 0.0026222200000000 ] - [ 0.0022446900000000, 0.0015392400000000, -0.0015674200000000 ] - [ -0.0004087200000000, 0.0000060300000000, 0.0005337900000000 ] - [ -0.0000021000000000, 0.0000018500000000, 0.0005349200000000 ] - [ -0.0000066300000000, 0.0000032100000000, -0.0001626600000000 ] - [ -0.0000053700000000, 0.0000024500000000, -0.0001640500000000 ] - [ -0.0000053800000000, 0.0000030300000000, -0.0001626200000000 ] - [ -0.0000065800000000, 0.0000038400000000, -0.0001626700000000 ] - [ -0.0949213500000000, -0.0010735400000000, 0.0010529500000000 ] - [ 0.0166161600000000, -0.0000021500000000, 0.0002934700000000 ] - [ 0.0043937000000000, -0.0070506800000000, 0.0009973900000000 ] - [ 0.0044007600000000, 0.0070584300000000, -0.0004151300000000 ] - [ 0.0000024800000000, 0.0000422300000000, -0.0001768400000000 ] - [ 0.0000037300000000, -0.0000500800000000, -0.0000443600000000 ] - [ 0.0003769000000000, -0.0000019300000000, -0.0001103700000000 ] - [ -0.0000769300000000, -0.0000023600000000, -0.0001092800000000 ]- atom: 137 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000602200000000, -0.0000347700000000, -0.0007116000000000 ] - [ 0.0000602200000000, -0.0000347700000000, -0.0007116000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012683200000000 ] - [ 0.0000000000000000, 0.0000695400000000, -0.0007116000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0479330200000000 ] - [ 0.0000000000000000, 0.0008528600000000, 0.0030556000000000 ] - [ -0.0007386000000000, -0.0004264300000000, 0.0030556000000000 ] - [ 0.0007386000000000, -0.0004264300000000, 0.0030556000000000 ] - [ -0.0009423800000000, -0.0005440800000000, -0.0002736400000000 ] - [ 0.0009423800000000, -0.0005440800000000, -0.0002736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006364700000000 ] - [ 0.0000000000000000, 0.0010881700000000, -0.0002736400000000 ] - [ 0.0113056700000000, -0.0065273300000000, 0.0104869700000000 ] - [ -0.0113056700000000, -0.0065273300000000, 0.0104869700000000 ] - [ 0.0000000000000000, 0.0130546600000000, 0.0104869700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029203500000000 ] - [ -0.0000003300000000, 0.0000001900000000, 0.0000307700000000 ] - [ 0.0000003300000000, 0.0000001900000000, 0.0000307700000000 ] - [ 0.0000000000000000, -0.0000003800000000, 0.0000307700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000094300000000 ] - [ -0.0000062900000000, 0.0000036300000000, -0.0002297500000000 ] - [ 0.0000062900000000, 0.0000036300000000, -0.0002297500000000 ] - [ 0.0000000000000000, -0.0000072600000000, -0.0002297500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002353100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005278000000000 ] - [ 0.0000000000000000, -0.0000259200000000, -0.0006063000000000 ] - [ 0.0000224400000000, 0.0000129600000000, -0.0006063000000000 ] - [ -0.0000224400000000, 0.0000129600000000, -0.0006063000000000 ] - [ -0.0000023400000000, -0.0000013500000000, -0.0005984500000000 ] - [ 0.0000023400000000, -0.0000013500000000, -0.0005984500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005950300000000 ] - [ 0.0000000000000000, 0.0000027100000000, -0.0005984500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000433200000000 ] - [ 0.0000000000000000, -0.0005225400000000, -0.0001013500000000 ] - [ 0.0004525300000000, 0.0002612700000000, -0.0001013500000000 ] - [ -0.0004525300000000, 0.0002612700000000, -0.0001013500000000 ] - [ -0.0007403400000000, 0.0004274300000000, -0.0011043800000000 ] - [ 0.0007403400000000, 0.0004274300000000, -0.0011043800000000 ] - [ 0.0000000000000000, -0.0008548700000000, -0.0011043800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002997000000000 ] - [ 0.0000169600000000, 0.0000097900000000, -0.0004258500000000 ] - [ -0.0000169600000000, 0.0000097900000000, -0.0004258500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004287100000000 ] - [ 0.0000000000000000, -0.0000195900000000, -0.0004258500000000 ] - [ 0.0000002800000000, 0.0000001600000000, 0.0000363300000000 ] - [ -0.0000002800000000, 0.0000001600000000, 0.0000363300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000386800000000 ] - [ 0.0000000000000000, -0.0000003300000000, 0.0000363300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011422100000000 ] - [ 0.0000000000000000, -0.0000006500000000, -0.0011422300000000 ] - [ 0.0000005600000000, 0.0000003300000000, -0.0011422300000000 ] - [ -0.0000005600000000, 0.0000003300000000, -0.0011422300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009469700000000 ] - [ 0.0000000000000000, -0.0000016000000000, -0.0009484400000000 ] - [ 0.0000013900000000, 0.0000008000000000, -0.0009484400000000 ] - [ -0.0000013900000000, 0.0000008000000000, -0.0009484400000000 ] - [ -0.0000013200000000, 0.0000007600000000, -0.0006654800000000 ] - [ 0.0000013200000000, 0.0000007600000000, -0.0006654800000000 ] - [ 0.0000000000000000, -0.0000015300000000, -0.0006654800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006667500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003328100000000 ] - [ 0.0000000000000000, -0.0000005900000000, -0.0003288900000000 ] - [ 0.0000005100000000, 0.0000003000000000, -0.0003288900000000 ] - [ -0.0000005100000000, 0.0000003000000000, -0.0003288900000000 ] - [ 0.0000601200000000, -0.0000347100000000, -0.0005333100000000 ] - [ -0.0000601200000000, -0.0000347100000000, -0.0005333100000000 ] - [ 0.0000000000000000, 0.0000694300000000, -0.0005333100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005077700000000 ] - [ -0.0000011800000000, -0.0000006800000000, -0.0009486800000000 ] - [ 0.0000011800000000, -0.0000006800000000, -0.0009486800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009481200000000 ] - [ 0.0000000000000000, 0.0000013600000000, -0.0009486800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004424400000000 ] - [ 0.0000000000000000, -0.0000057200000000, 0.0004494900000000 ] - [ 0.0000049500000000, 0.0000028600000000, 0.0004494900000000 ] - [ -0.0000049500000000, 0.0000028600000000, 0.0004494900000000 ] - [ -0.0000010900000000, 0.0000006300000000, 0.0000435200000000 ] - [ 0.0000010900000000, 0.0000006300000000, 0.0000435200000000 ] - [ 0.0000000000000000, -0.0000012600000000, 0.0000435200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000460900000000 ] - [ -0.0000076400000000, 0.0000044100000000, 0.0007442100000000 ] - [ 0.0000076400000000, 0.0000044100000000, 0.0007442100000000 ] - [ 0.0000000000000000, -0.0000088300000000, 0.0007442100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008022200000000 ] - [ -0.0000022100000000, -0.0000012800000000, 0.0003971100000000 ] - [ 0.0000022100000000, -0.0000012800000000, 0.0003971100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003933200000000 ] - [ 0.0000000000000000, 0.0000025500000000, 0.0003971100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011024800000000 ] - [ 0.0000000000000000, 0.0001009800000000, 0.0012735600000000 ] - [ -0.0000874500000000, -0.0000504900000000, 0.0012735600000000 ] - [ 0.0000874500000000, -0.0000504900000000, 0.0012735600000000 ] - [ -0.0000040700000000, -0.0000023500000000, 0.0005436100000000 ] - [ 0.0000040700000000, -0.0000023500000000, 0.0005436100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005470700000000 ] - [ 0.0000000000000000, 0.0000047000000000, 0.0005436100000000 ] - [ -0.0000034700000000, -0.0000020000000000, 0.0002522900000000 ] - [ 0.0000034700000000, -0.0000020000000000, 0.0002522900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002441700000000 ] - [ 0.0000000000000000, 0.0000040100000000, 0.0002522900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005131200000000 ] - [ 0.0000000000000000, -0.0000537100000000, 0.0006923800000000 ] - [ 0.0000465200000000, 0.0000268600000000, 0.0006923800000000 ] - [ -0.0000465200000000, 0.0000268600000000, 0.0006923800000000 ] - [ 0.0000054700000000, -0.0000031600000000, 0.0001897300000000 ] - [ -0.0000054700000000, -0.0000031600000000, 0.0001897300000000 ] - [ 0.0000000000000000, 0.0000063100000000, 0.0001897300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002536300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003925200000000 ] - [ 0.0000000000000000, 0.0000027300000000, -0.0003824700000000 ] - [ -0.0000023600000000, -0.0000013600000000, -0.0003824700000000 ] - [ 0.0000023600000000, -0.0000013600000000, -0.0003824700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000357000000000 ] - [ 0.0000000000000000, 0.0000003700000000, -0.0000431700000000 ] - [ -0.0000003200000000, -0.0000001800000000, -0.0000431700000000 ] - [ 0.0000003200000000, -0.0000001800000000, -0.0000431700000000 ] - [ 0.0001305700000000, 0.0000753800000000, 0.0002093300000000 ] - [ -0.0001305700000000, 0.0000753800000000, 0.0002093300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016758900000000 ] - [ 0.0000000000000000, -0.0001507700000000, 0.0002093300000000 ] - [ -0.0020735200000000, 0.0011971500000000, 0.0048188900000000 ] - [ 0.0020735200000000, 0.0011971500000000, 0.0048188900000000 ] - [ 0.0000000000000000, -0.0023943000000000, 0.0048188900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008699400000000 ] - [ -0.0000035500000000, 0.0000020500000000, 0.0006298400000000 ] - [ 0.0000035500000000, 0.0000020500000000, 0.0006298400000000 ] - [ 0.0000000000000000, -0.0000041000000000, 0.0006298400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006331300000000 ] - [ 0.0039802800000000, -0.0022980200000000, 0.0046839100000000 ] - [ -0.0039802800000000, -0.0022980200000000, 0.0046839100000000 ] - [ 0.0000000000000000, 0.0045960300000000, 0.0046839100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008070500000000 ] - [ 0.0000045100000000, 0.0000026000000000, 0.0002446200000000 ] - [ -0.0000045100000000, 0.0000026000000000, 0.0002446200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002387400000000 ] - [ 0.0000000000000000, -0.0000052000000000, 0.0002446200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1015887600000000 ] - [ 0.0000000000000000, -0.0008073400000000, -0.0026513000000000 ] - [ 0.0006991800000000, 0.0004036700000000, -0.0026513000000000 ] - [ -0.0006991800000000, 0.0004036700000000, -0.0026513000000000 ] - [ -0.0000287200000000, -0.0000165800000000, -0.0000433000000000 ] - [ 0.0000287200000000, -0.0000165800000000, -0.0000433000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014764400000000 ] - [ 0.0000000000000000, 0.0000331600000000, -0.0000433000000000 ]- atom: 137 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000584100000000, 0.0000337200000000, -0.0001228300000000 ] - [ -0.0000584100000000, 0.0000337200000000, -0.0001228300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004328500000000 ] - [ 0.0000000000000000, -0.0000674500000000, -0.0001228300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0447473000000000 ] - [ 0.0000000000000000, -0.0008508600000000, -0.0023876800000000 ] - [ 0.0007368600000000, 0.0004254300000000, -0.0023876800000000 ] - [ -0.0007368600000000, 0.0004254300000000, -0.0023876800000000 ] - [ 0.0009436300000000, 0.0005448100000000, 0.0003402700000000 ] - [ -0.0009436300000000, 0.0005448100000000, 0.0003402700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005752300000000 ] - [ 0.0000000000000000, -0.0010896100000000, 0.0003402700000000 ] - [ -0.0114644300000000, 0.0066189900000000, -0.0094365400000000 ] - [ 0.0114644300000000, 0.0066189900000000, -0.0094365400000000 ] - [ 0.0000000000000000, -0.0132379900000000, -0.0094365400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020041500000000 ] - [ -0.0000044200000000, 0.0000025500000000, 0.0008243000000000 ] - [ 0.0000044200000000, 0.0000025500000000, 0.0008243000000000 ] - [ 0.0000000000000000, -0.0000051000000000, 0.0008243000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008458900000000 ] - [ 0.0000021400000000, -0.0000012400000000, 0.0006125400000000 ] - [ -0.0000021400000000, -0.0000012400000000, 0.0006125400000000 ] - [ 0.0000000000000000, 0.0000024700000000, 0.0006125400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006153300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001972700000000 ] - [ 0.0000000000000000, 0.0000278500000000, 0.0002746800000000 ] - [ -0.0000241200000000, -0.0000139200000000, 0.0002746800000000 ] - [ 0.0000241200000000, -0.0000139200000000, 0.0002746800000000 ] - [ -0.0000017600000000, -0.0000010100000000, 0.0002389900000000 ] - [ 0.0000017600000000, -0.0000010100000000, 0.0002389900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002351600000000 ] - [ 0.0000000000000000, 0.0000020300000000, 0.0002389900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007464400000000 ] - [ 0.0000000000000000, 0.0005245100000000, 0.0008056200000000 ] - [ -0.0004542400000000, -0.0002622500000000, 0.0008056200000000 ] - [ 0.0004542400000000, -0.0002622500000000, 0.0008056200000000 ] - [ 0.0007346300000000, -0.0004241400000000, 0.0004394400000000 ] - [ -0.0007346300000000, -0.0004241400000000, 0.0004394400000000 ] - [ 0.0000000000000000, 0.0008482700000000, 0.0004394400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009589400000000 ] - [ -0.0000162600000000, -0.0000093900000000, 0.0004242900000000 ] - [ 0.0000162600000000, -0.0000093900000000, 0.0004242900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004233700000000 ] - [ 0.0000000000000000, 0.0000187700000000, 0.0004242900000000 ] - [ 0.0000003600000000, 0.0000002100000000, 0.0008775200000000 ] - [ -0.0000003600000000, 0.0000002100000000, 0.0008775200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008772400000000 ] - [ 0.0000000000000000, -0.0000004100000000, 0.0008775200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003065700000000 ] - [ 0.0000000000000000, 0.0000010500000000, -0.0003083400000000 ] - [ -0.0000009100000000, -0.0000005200000000, -0.0003083400000000 ] - [ 0.0000009100000000, -0.0000005200000000, -0.0003083400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000952600000000 ] - [ 0.0000000000000000, -0.0000011700000000, -0.0000983900000000 ] - [ 0.0000010100000000, 0.0000005800000000, -0.0000983900000000 ] - [ -0.0000010100000000, 0.0000005800000000, -0.0000983900000000 ] - [ -0.0000007300000000, 0.0000004200000000, 0.0001526200000000 ] - [ 0.0000007300000000, 0.0000004200000000, 0.0001526200000000 ] - [ 0.0000000000000000, -0.0000008400000000, 0.0001526200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001518400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004936500000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0004928700000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0004928700000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0004928700000000 ] - [ -0.0000588900000000, 0.0000340000000000, 0.0003469900000000 ] - [ 0.0000588900000000, 0.0000340000000000, 0.0003469900000000 ] - [ 0.0000000000000000, -0.0000680000000000, 0.0003469900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003218600000000 ] - [ -0.0000008200000000, -0.0000004700000000, -0.0000841700000000 ] - [ 0.0000008200000000, -0.0000004700000000, -0.0000841700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000837700000000 ] - [ 0.0000000000000000, 0.0000009400000000, -0.0000841700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003924700000000 ] - [ 0.0000000000000000, -0.0000033200000000, -0.0003895100000000 ] - [ 0.0000028800000000, 0.0000016600000000, -0.0003895100000000 ] - [ -0.0000028800000000, 0.0000016600000000, -0.0003895100000000 ] - [ -0.0000006000000000, 0.0000003500000000, -0.0007941300000000 ] - [ 0.0000006000000000, 0.0000003500000000, -0.0007941300000000 ] - [ 0.0000000000000000, -0.0000006900000000, -0.0007941300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007930300000000 ] - [ 0.0000099600000000, -0.0000057500000000, -0.0000833700000000 ] - [ -0.0000099600000000, -0.0000057500000000, -0.0000833700000000 ] - [ 0.0000000000000000, 0.0000115000000000, -0.0000833700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001346200000000 ] - [ -0.0000033800000000, -0.0000019500000000, -0.0004331500000000 ] - [ 0.0000033800000000, -0.0000019500000000, -0.0004331500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004224100000000 ] - [ 0.0000000000000000, 0.0000039000000000, -0.0004331500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004882600000000 ] - [ 0.0000000000000000, -0.0001058700000000, 0.0003168600000000 ] - [ 0.0000916900000000, 0.0000529400000000, 0.0003168600000000 ] - [ -0.0000916900000000, 0.0000529400000000, 0.0003168600000000 ] - [ -0.0000020300000000, -0.0000011700000000, -0.0003013100000000 ] - [ 0.0000020300000000, -0.0000011700000000, -0.0003013100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003006400000000 ] - [ 0.0000000000000000, 0.0000023500000000, -0.0003013100000000 ] - [ 0.0000017300000000, 0.0000010000000000, -0.0005865300000000 ] - [ -0.0000017300000000, 0.0000010000000000, -0.0005865300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005770000000000 ] - [ 0.0000000000000000, -0.0000020000000000, -0.0005865300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000689100000000 ] - [ 0.0000000000000000, 0.0000540300000000, -0.0002460500000000 ] - [ -0.0000467900000000, -0.0000270200000000, -0.0002460500000000 ] - [ 0.0000467900000000, -0.0000270200000000, -0.0002460500000000 ] - [ -0.0000033000000000, 0.0000019000000000, -0.0006085100000000 ] - [ 0.0000033000000000, 0.0000019000000000, -0.0006085100000000 ] - [ 0.0000000000000000, -0.0000038100000000, -0.0006085100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006593400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012272500000000 ] - [ 0.0000000000000000, 0.0000005000000000, -0.0012203600000000 ] - [ -0.0000004300000000, -0.0000002500000000, -0.0012203600000000 ] - [ 0.0000004300000000, -0.0000002500000000, -0.0012203600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008693600000000 ] - [ 0.0000000000000000, -0.0000003000000000, -0.0008754700000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0008754700000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0008754700000000 ] - [ -0.0001309500000000, -0.0000756000000000, 0.0000812000000000 ] - [ 0.0001309500000000, -0.0000756000000000, 0.0000812000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013957000000000 ] - [ 0.0000000000000000, 0.0001512000000000, 0.0000812000000000 ] - [ 0.0020308700000000, -0.0011725300000000, -0.0037417700000000 ] - [ -0.0020308700000000, -0.0011725300000000, -0.0037417700000000 ] - [ 0.0000000000000000, 0.0023450500000000, -0.0037417700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018678500000000 ] - [ -0.0000028000000000, 0.0000016200000000, -0.0002035800000000 ] - [ 0.0000028000000000, 0.0000016200000000, -0.0002035800000000 ] - [ 0.0000000000000000, -0.0000032300000000, -0.0002035800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002020400000000 ] - [ -0.0040184600000000, 0.0023200600000000, -0.0036741500000000 ] - [ 0.0040184600000000, 0.0023200600000000, -0.0036741500000000 ] - [ 0.0000000000000000, -0.0046401100000000, -0.0036741500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018655400000000 ] - [ 0.0000042400000000, 0.0000024500000000, -0.0005891300000000 ] - [ -0.0000042400000000, 0.0000024500000000, -0.0005891300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005911000000000 ] - [ 0.0000000000000000, -0.0000049000000000, -0.0005891300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0992623600000000 ] - [ 0.0000000000000000, 0.0008199500000000, 0.0032126800000000 ] - [ -0.0007101000000000, -0.0004099700000000, 0.0032126800000000 ] - [ 0.0007101000000000, -0.0004099700000000, 0.0032126800000000 ] - [ 0.0000299200000000, 0.0000172700000000, -0.0001699700000000 ] - [ -0.0000299200000000, 0.0000172700000000, -0.0001699700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016777100000000 ] - [ 0.0000000000000000, -0.0000345500000000, -0.0001699700000000 ]- atom: 141 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0029650800000000, -0.0000152100000000, -0.0005033000000000 ] - [ -0.0012032500000000, 0.0000096500000000, -0.0004146800000000 ] - [ 0.0000088100000000, 0.0007113600000000, -0.0004816100000000 ] - [ 0.0000116100000000, -0.0006900600000000, -0.0003312400000000 ] - [ -0.0000204600000000, -0.0003919700000000, 0.0005647000000000 ] - [ -0.0000208800000000, 0.0004127200000000, 0.0001106200000000 ] - [ -0.0015566600000000, 0.0000074900000000, 0.0003349400000000 ] - [ 0.0006762100000000, 0.0000070600000000, 0.0003380300000000 ] - [ -0.0000038200000000, -0.0000088800000000, 0.0000200700000000 ] - [ 0.0000294700000000, -0.0000090700000000, 0.0000198200000000 ] - [ 0.0000150900000000, -0.0000174800000000, 0.0000136000000000 ] - [ 0.0000149900000000, -0.0000007200000000, 0.0000259900000000 ] - [ 0.0000836000000000, -0.0000082700000000, 0.0004523200000000 ] - [ -0.0000336400000000, -0.0000087900000000, 0.0004522500000000 ] - [ 0.0000021800000000, 0.0000388500000000, 0.0005350000000000 ] - [ 0.0000018300000000, -0.0000555500000000, 0.0003697800000000 ] - [ -0.0000850000000000, 0.0000089600000000, 0.0004092000000000 ] - [ 0.0001004300000000, 0.0000093900000000, 0.0004098600000000 ] - [ -0.0000185900000000, -0.0000296100000000, 0.0003426300000000 ] - [ -0.0000182300000000, 0.0000474100000000, 0.0004772400000000 ] - [ -0.0000148800000000, 0.0000093300000000, 0.0001942200000000 ] - [ -0.0000150800000000, 0.0000100800000000, 0.0001936200000000 ] - [ -0.0000156200000000, 0.0000101600000000, 0.0001942300000000 ] - [ -0.0000143600000000, 0.0000101600000000, 0.0001938700000000 ] - [ 0.0002593100000000, 0.0001666000000000, -0.0012335100000000 ] - [ 0.0002600400000000, -0.0001454100000000, 0.0009079300000000 ] - [ -0.0001040500000000, 0.0000088000000000, -0.0001622600000000 ] - [ -0.0000105400000000, 0.0000095800000000, -0.0001620100000000 ] - [ -0.0000221600000000, 0.0000092800000000, -0.0001838600000000 ] - [ -0.0000095400000000, 0.0000101500000000, -0.0001841500000000 ] - [ -0.0000146100000000, 0.0000075400000000, -0.0002168000000000 ] - [ -0.0000126100000000, 0.0000122800000000, -0.0001513600000000 ] - [ 0.0000162400000000, -0.0000084600000000, 0.0003579800000000 ] - [ 0.0000153600000000, -0.0000084700000000, 0.0003603100000000 ] - [ 0.0000161200000000, -0.0000088000000000, 0.0003594200000000 ] - [ 0.0000157000000000, -0.0000092700000000, 0.0003588300000000 ] - [ 0.0015417200000000, -0.0000918300000000, -0.0003204300000000 ] - [ -0.0004855700000000, 0.0000022600000000, -0.0003272700000000 ] - [ 0.0304679400000000, -0.0168021200000000, -0.0133872800000000 ] - [ 0.0292399300000000, 0.0158964700000000, 0.0120843200000000 ] - [ 0.0000151100000000, -0.0000084500000000, 0.0000068000000000 ] - [ 0.0000151800000000, -0.0000080400000000, 0.0000075000000000 ] - [ 0.0000150700000000, -0.0000087100000000, 0.0000077500000000 ] - [ 0.0000156300000000, -0.0000089900000000, 0.0000076100000000 ] - [ -0.0000139000000000, 0.0000080400000000, 0.0004594100000000 ] - [ -0.0000142900000000, 0.0000086600000000, 0.0004590200000000 ] - [ -0.0000147300000000, 0.0000084100000000, 0.0004595300000000 ] - [ -0.0000136100000000, 0.0000082200000000, 0.0004590900000000 ] - [ 0.0000147300000000, -0.0000077700000000, -0.0007280300000000 ] - [ 0.0000148400000000, -0.0000083500000000, -0.0007275800000000 ] - [ 0.0000152400000000, -0.0000081600000000, -0.0007280900000000 ] - [ 0.0000143500000000, -0.0000080400000000, -0.0007287000000000 ] - [ 0.0000155100000000, -0.0000079400000000, -0.0005088000000000 ] - [ 0.0000156700000000, -0.0000094600000000, -0.0005184300000000 ] - [ 0.0000174000000000, -0.0000088000000000, -0.0005131400000000 ] - [ 0.0000141000000000, -0.0000087400000000, -0.0005140300000000 ] - [ 0.0000163200000000, -0.0000083400000000, -0.0002699600000000 ] - [ 0.0000147100000000, -0.0000078300000000, -0.0002691900000000 ] - [ 0.0000151700000000, -0.0000088500000000, -0.0002693900000000 ] - [ 0.0000158100000000, -0.0000097900000000, -0.0002695500000000 ] - [ -0.0000150300000000, 0.0000088300000000, 0.0000684600000000 ] - [ -0.0000156600000000, 0.0000082700000000, 0.0000690900000000 ] - [ -0.0000148900000000, 0.0000089200000000, 0.0000690000000000 ] - [ -0.0000158200000000, 0.0000085200000000, 0.0000686300000000 ] - [ 0.0000170300000000, -0.0000089100000000, -0.0000826300000000 ] - [ 0.0000154800000000, -0.0000088000000000, -0.0000828000000000 ] - [ 0.0000161600000000, -0.0000090000000000, -0.0000823900000000 ] - [ 0.0000163700000000, -0.0000097600000000, -0.0000822400000000 ] - [ 0.0000163400000000, -0.0000088100000000, -0.0005037800000000 ] - [ 0.0000151000000000, -0.0000096400000000, -0.0005040400000000 ] - [ 0.0000162100000000, -0.0000087900000000, -0.0005041500000000 ] - [ 0.0000147800000000, -0.0000093500000000, -0.0005038100000000 ] - [ 0.0000049500000000, -0.0000036700000000, 0.0000363700000000 ] - [ 0.0000054100000000, -0.0000034300000000, 0.0000355900000000 ] - [ 0.0000046900000000, -0.0000039200000000, 0.0000357500000000 ] - [ 0.0000052200000000, -0.0000036900000000, 0.0000358100000000 ] - [ -0.0000066100000000, 0.0000026900000000, -0.0003693900000000 ] - [ -0.0000052900000000, 0.0000031800000000, -0.0003700600000000 ] - [ -0.0000060900000000, 0.0000031000000000, -0.0003693200000000 ] - [ -0.0000053700000000, 0.0000039700000000, -0.0003705300000000 ] - [ -0.0000063300000000, 0.0000028200000000, 0.0003302800000000 ] - [ -0.0000052500000000, 0.0000026300000000, 0.0003300300000000 ] - [ -0.0000055700000000, 0.0000026700000000, 0.0003298500000000 ] - [ -0.0000060600000000, 0.0000030400000000, 0.0003305600000000 ] - [ 0.0000029000000000, -0.0000020900000000, -0.0000257400000000 ] - [ 0.0000069100000000, -0.0000034700000000, -0.0000257200000000 ] - [ 0.0000217300000000, 0.0000038300000000, 0.0000648000000000 ] - [ 0.0000185800000000, -0.0000113600000000, -0.0001160400000000 ] - [ -0.0000065300000000, 0.0000030000000000, 0.0007826100000000 ] - [ -0.0000055900000000, 0.0000028700000000, 0.0007836100000000 ] - [ -0.0000062200000000, 0.0000038000000000, 0.0007830200000000 ] - [ -0.0000063500000000, 0.0000042200000000, 0.0007830000000000 ] - [ -0.0000048100000000, 0.0000028800000000, 0.0001265000000000 ] - [ -0.0000068100000000, 0.0000029700000000, 0.0001265800000000 ] - [ -0.0000058500000000, 0.0000032400000000, 0.0001262400000000 ] - [ -0.0000056400000000, 0.0000017000000000, 0.0001268000000000 ] - [ 0.0000057800000000, -0.0000033200000000, -0.0001535100000000 ] - [ 0.0000049800000000, -0.0000038000000000, -0.0001543400000000 ] - [ 0.0000058200000000, -0.0000032500000000, -0.0001541100000000 ] - [ 0.0000049800000000, -0.0000034800000000, -0.0001537400000000 ] - [ 0.0022038400000000, 0.0015329800000000, 0.0042302500000000 ] - [ 0.0022034700000000, -0.0015301800000000, -0.0037856800000000 ] - [ 0.0000232500000000, -0.0000036200000000, 0.0002161900000000 ] - [ -0.0004493100000000, -0.0000046900000000, 0.0002115000000000 ] - [ -0.0000855500000000, -0.0000034700000000, -0.0001993900000000 ] - [ 0.0004263700000000, -0.0000034400000000, -0.0002004100000000 ] - [ 0.0000043600000000, -0.0000555800000000, -0.0000737700000000 ] - [ 0.0000038600000000, 0.0000478400000000, -0.0003277300000000 ] - [ 0.0000046900000000, 0.0000003000000000, -0.0008081700000000 ] - [ 0.0000060100000000, -0.0000065400000000, -0.0007886400000000 ] - [ 0.0000142000000000, -0.0000043000000000, -0.0007987100000000 ] - [ -0.0000004300000000, -0.0000029900000000, -0.0007978600000000 ] - [ -0.0000056100000000, 0.0000024400000000, -0.0004712400000000 ] - [ -0.0000068000000000, 0.0000038000000000, -0.0004721200000000 ] - [ -0.0000074000000000, 0.0000040900000000, -0.0004712400000000 ] - [ -0.0000051000000000, 0.0000035200000000, -0.0004715600000000 ] - [ 0.0000002700000000, 0.0000033900000000, 0.0001485300000000 ] - [ -0.0000100400000000, 0.0000028900000000, 0.0001485700000000 ] - [ -0.0000057400000000, 0.0000053800000000, 0.0001484200000000 ] - [ -0.0000065800000000, 0.0000007000000000, 0.0001496100000000 ] - [ -0.0004421100000000, -0.0000086400000000, 0.0005049800000000 ] - [ 0.0000244400000000, -0.0000037100000000, 0.0005033500000000 ] - [ 0.0021975500000000, -0.0015309200000000, -0.0015817200000000 ] - [ 0.0021909100000000, 0.0015133300000000, 0.0025730000000000 ] - [ 0.0000059900000000, -0.0000027400000000, 0.0001976400000000 ] - [ 0.0000061400000000, -0.0000034900000000, 0.0001986900000000 ] - [ 0.0000067300000000, -0.0000035600000000, 0.0001981700000000 ] - [ 0.0000054200000000, -0.0000036100000000, 0.0001987300000000 ] - [ -0.0000187300000000, 0.0000031600000000, 0.0005300500000000 ] - [ 0.0000042200000000, 0.0000036700000000, 0.0005306000000000 ] - [ 0.0000038400000000, -0.0000105000000000, 0.0005554000000000 ] - [ 0.0000048000000000, 0.0000163500000000, 0.0005054000000000 ] - [ -0.0000059500000000, 0.0000031200000000, -0.0001640800000000 ] - [ -0.0000060900000000, 0.0000029100000000, -0.0001643200000000 ] - [ -0.0000060300000000, 0.0000031400000000, -0.0001642300000000 ] - [ -0.0000060400000000, 0.0000033200000000, -0.0001633600000000 ] - [ -0.0000086900000000, 0.0000483000000000, 0.0002625700000000 ] - [ -0.0000090500000000, -0.0000425700000000, 0.0003225400000000 ] - [ 0.0003637500000000, 0.0000036800000000, 0.0002918900000000 ] - [ -0.0000873200000000, 0.0000035800000000, 0.0002923100000000 ] - [ -0.0963092700000000, 0.0010480600000000, 0.0006353300000000 ] - [ 0.0166279900000000, 0.0000001400000000, -0.0001082100000000 ] - [ 0.0044219600000000, -0.0070529300000000, -0.0007745600000000 ] - [ 0.0044136800000000, 0.0070461100000000, 0.0005562500000000 ]- atom: 141 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0479451700000000 ] - [ 0.0000000000000000, 0.0008122000000000, 0.0022307400000000 ] - [ -0.0007033900000000, -0.0004061000000000, 0.0022307400000000 ] - [ 0.0007033900000000, -0.0004061000000000, 0.0022307400000000 ] - [ 0.0009178200000000, 0.0005299000000000, 0.0000167300000000 ] - [ -0.0009178200000000, 0.0005299000000000, 0.0000167300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009068600000000 ] - [ 0.0000000000000000, -0.0010598000000000, 0.0000167300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003793200000000 ] - [ 0.0000000000000000, 0.0000451200000000, -0.0004120000000000 ] - [ -0.0000390800000000, -0.0000225600000000, -0.0004120000000000 ] - [ 0.0000390800000000, -0.0000225600000000, -0.0004120000000000 ] - [ 0.0000000000000000, -0.0005451000000000, -0.0000303000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001865800000000 ] - [ -0.0004720700000000, 0.0002725500000000, -0.0000303000000000 ] - [ 0.0004720700000000, 0.0002725500000000, -0.0000303000000000 ] - [ 0.0000000000000000, 0.0000648700000000, 0.0001194200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004205300000000 ] - [ 0.0000561800000000, -0.0000324300000000, 0.0001194200000000 ] - [ -0.0000561800000000, -0.0000324300000000, 0.0001194200000000 ] - [ 0.0000000000000000, -0.0000002500000000, -0.0002218700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002219500000000 ] - [ -0.0000002200000000, 0.0000001300000000, -0.0002218700000000 ] - [ 0.0000002200000000, 0.0000001300000000, -0.0002218700000000 ] - [ 0.0007180800000000, 0.0004145800000000, -0.0008981600000000 ] - [ -0.0007180800000000, 0.0004145800000000, -0.0008981600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004382100000000 ] - [ 0.0000000000000000, -0.0008291600000000, -0.0008981600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005469500000000 ] - [ 0.0000000000000000, -0.0000262700000000, -0.0006223200000000 ] - [ 0.0000227500000000, 0.0000131400000000, -0.0006223200000000 ] - [ -0.0000227500000000, 0.0000131400000000, -0.0006223200000000 ] - [ 0.0000149600000000, 0.0000086400000000, -0.0000489500000000 ] - [ -0.0000149600000000, 0.0000086400000000, -0.0000489500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000474400000000 ] - [ 0.0000000000000000, -0.0000172700000000, -0.0000489500000000 ] - [ 0.0000000000000000, -0.0130651000000000, 0.0096979600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021717000000000 ] - [ -0.0113147000000000, 0.0065325500000000, 0.0096979600000000 ] - [ 0.0113147000000000, 0.0065325500000000, 0.0096979600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004013500000000 ] - [ 0.0000000000000000, -0.0000006200000000, -0.0004001400000000 ] - [ 0.0000005400000000, 0.0000003100000000, -0.0004001400000000 ] - [ -0.0000005400000000, 0.0000003100000000, -0.0004001400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000531200000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0000522200000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0000522200000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0000522200000000 ] - [ -0.0000001300000000, -0.0000000800000000, -0.0011468700000000 ] - [ 0.0000001300000000, -0.0000000800000000, -0.0011468700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011466100000000 ] - [ 0.0000000000000000, 0.0000001500000000, -0.0011468700000000 ] - [ -0.0000007200000000, -0.0000004200000000, -0.0009155700000000 ] - [ 0.0000007200000000, -0.0000004200000000, -0.0009155700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009366500000000 ] - [ 0.0000000000000000, 0.0000008300000000, -0.0009155700000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0006876300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006885100000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0006876300000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0006876300000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0003511400000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0003511400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003512200000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0003511400000000 ] - [ 0.0000000000000000, 0.0000023800000000, -0.0004909400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004899200000000 ] - [ 0.0000020600000000, -0.0000011900000000, -0.0004909400000000 ] - [ -0.0000020600000000, -0.0000011900000000, -0.0004909400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009075600000000 ] - [ 0.0000000000000000, 0.0000011900000000, -0.0009108100000000 ] - [ -0.0000010300000000, -0.0000006000000000, -0.0009108100000000 ] - [ 0.0000010300000000, -0.0000006000000000, -0.0009108100000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0004483700000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0004483700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004481200000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0004483700000000 ] - [ 0.0000000000000000, 0.0000008100000000, 0.0000350600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000372600000000 ] - [ 0.0000007000000000, -0.0000004000000000, 0.0000350600000000 ] - [ -0.0000007000000000, -0.0000004000000000, 0.0000350600000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0007396200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007419300000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0007396200000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0007396200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002687000000000 ] - [ 0.0000000000000000, -0.0000523500000000, 0.0004380500000000 ] - [ 0.0000453400000000, 0.0000261800000000, 0.0004380500000000 ] - [ -0.0000453400000000, 0.0000261800000000, 0.0004380500000000 ] - [ -0.0000027300000000, -0.0000015800000000, 0.0011871600000000 ] - [ 0.0000027300000000, -0.0000015800000000, 0.0011871600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011805400000000 ] - [ 0.0000000000000000, 0.0000031500000000, 0.0011871600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005333400000000 ] - [ 0.0000000000000000, 0.0000028500000000, 0.0005357200000000 ] - [ -0.0000024700000000, -0.0000014300000000, 0.0005357200000000 ] - [ 0.0000024700000000, -0.0000014300000000, 0.0005357200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002609000000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0002608100000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0002608100000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0002608100000000 ] - [ 0.0020909800000000, 0.0012072300000000, 0.0044025000000000 ] - [ -0.0020909800000000, 0.0012072300000000, 0.0044025000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010766900000000 ] - [ 0.0000000000000000, -0.0024144500000000, 0.0044025000000000 ] - [ 0.0000000000000000, 0.0000301300000000, -0.0001411300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013335200000000 ] - [ 0.0000260900000000, -0.0000150600000000, -0.0001411300000000 ] - [ -0.0000260900000000, -0.0000150600000000, -0.0001411300000000 ] - [ -0.0000041500000000, -0.0000024000000000, -0.0003929000000000 ] - [ 0.0000041500000000, -0.0000024000000000, -0.0003929000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003403600000000 ] - [ 0.0000000000000000, 0.0000047900000000, -0.0003929000000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0000511100000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0000511100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000517300000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0000511100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005930000000000 ] - [ 0.0000000000000000, -0.0000056300000000, 0.0005457600000000 ] - [ 0.0000048800000000, 0.0000028200000000, 0.0005457600000000 ] - [ -0.0000048800000000, 0.0000028200000000, 0.0005457600000000 ] - [ 0.0000000000000000, -0.0045794400000000, 0.0046337100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007973000000000 ] - [ -0.0039659100000000, 0.0022897200000000, 0.0046337100000000 ] - [ 0.0039659100000000, 0.0022897200000000, 0.0046337100000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0006149300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006151000000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0006149300000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0006149300000000 ] - [ 0.0000000000000000, 0.0001126000000000, 0.0009804900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008789900000000 ] - [ 0.0000975100000000, -0.0000563000000000, 0.0009804900000000 ] - [ -0.0000975100000000, -0.0000563000000000, 0.0009804900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002537400000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0002534400000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0002534400000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0002534400000000 ] - [ -0.0000659800000000, -0.0000380900000000, 0.0003500100000000 ] - [ 0.0000659800000000, -0.0000380900000000, 0.0003500100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018585500000000 ] - [ 0.0000000000000000, 0.0000761900000000, 0.0003500100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1025493900000000 ] - [ 0.0000000000000000, 0.0007727900000000, -0.0029381600000000 ] - [ -0.0006692600000000, -0.0003864000000000, -0.0029381600000000 ] - [ 0.0006692600000000, -0.0003864000000000, -0.0029381600000000 ]- atom: 141 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0461986400000000 ] - [ 0.0000000000000000, -0.0008145500000000, -0.0030438400000000 ] - [ 0.0007054200000000, 0.0004072700000000, -0.0030438400000000 ] - [ -0.0007054200000000, 0.0004072700000000, -0.0030438400000000 ] - [ -0.0009208100000000, -0.0005316300000000, 0.0006579600000000 ] - [ 0.0009208100000000, -0.0005316300000000, 0.0006579600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002396800000000 ] - [ 0.0000000000000000, 0.0010632600000000, 0.0006579600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004004900000000 ] - [ 0.0000000000000000, -0.0000453400000000, 0.0004345900000000 ] - [ 0.0000392600000000, 0.0000226700000000, 0.0004345900000000 ] - [ -0.0000392600000000, 0.0000226700000000, 0.0004345900000000 ] - [ 0.0000000000000000, 0.0005485600000000, 0.0009358200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007175800000000 ] - [ 0.0004750700000000, -0.0002742800000000, 0.0009358200000000 ] - [ -0.0004750700000000, -0.0002742800000000, 0.0009358200000000 ] - [ 0.0000000000000000, -0.0000650200000000, 0.0006884600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012257600000000 ] - [ -0.0000563100000000, 0.0000325100000000, 0.0006884600000000 ] - [ 0.0000563100000000, 0.0000325100000000, 0.0006884600000000 ] - [ 0.0000000000000000, 0.0000005900000000, 0.0006111700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006112800000000 ] - [ 0.0000005100000000, -0.0000002900000000, 0.0006111700000000 ] - [ -0.0000005100000000, -0.0000002900000000, 0.0006111700000000 ] - [ -0.0007125100000000, -0.0004113700000000, 0.0005763800000000 ] - [ 0.0007125100000000, -0.0004113700000000, 0.0005763800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007590500000000 ] - [ 0.0000000000000000, 0.0008227300000000, 0.0005763800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001765500000000 ] - [ 0.0000000000000000, 0.0000260900000000, 0.0002514800000000 ] - [ -0.0000226000000000, -0.0000130500000000, 0.0002514800000000 ] - [ 0.0000226000000000, -0.0000130500000000, 0.0002514800000000 ] - [ -0.0000149500000000, -0.0000086300000000, 0.0007744800000000 ] - [ 0.0000149500000000, -0.0000086300000000, 0.0007744800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007726900000000 ] - [ 0.0000000000000000, 0.0000172600000000, 0.0007744800000000 ] - [ 0.0000000000000000, 0.0132414600000000, -0.0102204000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028344000000000 ] - [ 0.0114674400000000, -0.0066207300000000, -0.0102204000000000 ] - [ -0.0114674400000000, -0.0066207300000000, -0.0102204000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004227200000000 ] - [ 0.0000000000000000, 0.0000002900000000, 0.0004208700000000 ] - [ -0.0000002500000000, -0.0000001500000000, 0.0004208700000000 ] - [ 0.0000002500000000, -0.0000001500000000, 0.0004208700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008731400000000 ] - [ 0.0000000000000000, 0.0000003000000000, 0.0008734200000000 ] - [ -0.0000002600000000, -0.0000001500000000, 0.0008734200000000 ] - [ 0.0000002600000000, -0.0000001500000000, 0.0008734200000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0003122600000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0003122600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003125400000000 ] - [ 0.0000000000000000, -0.0000002500000000, -0.0003122600000000 ] - [ 0.0000004000000000, 0.0000002300000000, -0.0001041800000000 ] - [ -0.0000004000000000, 0.0000002300000000, -0.0001041800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000832700000000 ] - [ 0.0000000000000000, -0.0000004600000000, -0.0001041800000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0001382600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001397100000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0001382600000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0001382600000000 ] - [ 0.0000002300000000, 0.0000001300000000, 0.0004788800000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0004788800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004793400000000 ] - [ 0.0000000000000000, -0.0000002600000000, 0.0004788800000000 ] - [ 0.0000000000000000, -0.0000020400000000, 0.0003348100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003339500000000 ] - [ -0.0000017700000000, 0.0000010200000000, 0.0003348100000000 ] - [ 0.0000017700000000, 0.0000010200000000, 0.0003348100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000903200000000 ] - [ 0.0000000000000000, -0.0000017100000000, -0.0000866700000000 ] - [ 0.0000014800000000, 0.0000008600000000, -0.0000866700000000 ] - [ -0.0000014800000000, 0.0000008600000000, -0.0000866700000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0003811500000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0003811500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003811400000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0003811500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007827100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007852100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007827100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007827100000000 ] - [ 0.0000000000000000, 0.0000001200000000, -0.0000872600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000893700000000 ] - [ 0.0000001100000000, -0.0000000600000000, -0.0000872600000000 ] - [ -0.0000001100000000, -0.0000000600000000, -0.0000872600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003019100000000 ] - [ 0.0000000000000000, 0.0000527400000000, -0.0004711900000000 ] - [ -0.0000456700000000, -0.0000263700000000, -0.0004711900000000 ] - [ 0.0000456700000000, -0.0000263700000000, -0.0004711900000000 ] - [ 0.0000030300000000, 0.0000017500000000, 0.0003644700000000 ] - [ -0.0000030300000000, 0.0000017500000000, 0.0003644700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003712100000000 ] - [ 0.0000000000000000, -0.0000035000000000, 0.0003644700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002923200000000 ] - [ 0.0000000000000000, -0.0000028000000000, -0.0002940000000000 ] - [ 0.0000024300000000, 0.0000014000000000, -0.0002940000000000 ] - [ -0.0000024300000000, 0.0000014000000000, -0.0002940000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005725900000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0005722200000000 ] - [ -0.0000001100000000, -0.0000000700000000, -0.0005722200000000 ] - [ 0.0000001100000000, -0.0000000700000000, -0.0005722200000000 ] - [ -0.0020478200000000, -0.0011823100000000, -0.0039053000000000 ] - [ 0.0020478200000000, -0.0011823100000000, -0.0039053000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015026000000000 ] - [ 0.0000000000000000, 0.0023646200000000, -0.0039053000000000 ] - [ 0.0000000000000000, -0.0000311900000000, -0.0002613700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017256100000000 ] - [ -0.0000270100000000, 0.0000155900000000, -0.0002613700000000 ] - [ 0.0000270100000000, 0.0000155900000000, -0.0002613700000000 ] - [ 0.0000042600000000, 0.0000024600000000, -0.0012031600000000 ] - [ -0.0000042600000000, 0.0000024600000000, -0.0012031600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012552200000000 ] - [ 0.0000000000000000, -0.0000049100000000, -0.0012031600000000 ] - [ 0.0000001300000000, 0.0000000700000000, -0.0008745600000000 ] - [ -0.0000001300000000, 0.0000000700000000, -0.0008745600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008742800000000 ] - [ 0.0000000000000000, -0.0000001500000000, -0.0008745600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002997100000000 ] - [ 0.0000000000000000, 0.0000057300000000, -0.0002513900000000 ] - [ -0.0000049600000000, -0.0000028600000000, -0.0002513900000000 ] - [ 0.0000049600000000, -0.0000028600000000, -0.0002513900000000 ] - [ 0.0000000000000000, 0.0046253100000000, -0.0036960300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018036500000000 ] - [ 0.0040056300000000, -0.0023126500000000, -0.0036960300000000 ] - [ -0.0040056300000000, -0.0023126500000000, -0.0036960300000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0002076800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002076700000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0002076800000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0002076800000000 ] - [ 0.0000000000000000, -0.0001123200000000, 0.0001044500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002069000000000 ] - [ -0.0000972800000000, 0.0000561600000000, 0.0001044500000000 ] - [ 0.0000972800000000, 0.0000561600000000, 0.0001044500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005823600000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0005818000000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0005818000000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0005818000000000 ] - [ 0.0000656400000000, 0.0000379000000000, 0.0002340400000000 ] - [ -0.0000656400000000, 0.0000379000000000, 0.0002340400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012852200000000 ] - [ 0.0000000000000000, -0.0000757900000000, 0.0002340400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0993603300000000 ] - [ 0.0000000000000000, -0.0007654300000000, 0.0027151500000000 ] - [ 0.0006628800000000, 0.0003827200000000, 0.0027151500000000 ] - [ -0.0006628800000000, 0.0003827200000000, 0.0027151500000000 ]