# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9e40b538-e97c-41ae-9df5-bb564a2c30ef/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 Na2Be2O3 / P2_1/c (14) / materials id 754663](https://mdr.nims.go.jp/datasets/41be5261-7e28-4a22-b58c-5c8f958dcd54) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.916573060000000, 0.000000000000000, -0.013478230000000 ] # a - [ 0.000000000000000, 5.223037320000000, 0.000000000000000 ] # b - [ -2.103235770000000, 0.000000000000000, 4.916428070000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.188162440000000, 0.624332580000000, 0.927557460000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.188162440000000, 0.875667420000000, 0.427557460000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.811837560000000, 0.124332580000000, 0.572442540000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.811837560000000, 0.375667420000000, 0.072442540000000 ] mass: 22.989769 - symbol: Be # 5 coordinates: [ 0.331782400000000, 0.398329260000000, 0.571424380000000 ] mass: 9.012182 - symbol: Be # 6 coordinates: [ 0.668217600000000, 0.898329260000000, 0.928575620000000 ] mass: 9.012182 - symbol: Be # 7 coordinates: [ 0.331782400000000, 0.101670740000000, 0.071424380000000 ] mass: 9.012182 - symbol: Be # 8 coordinates: [ 0.668217600000000, 0.601670740000000, 0.428575620000000 ] mass: 9.012182 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.411445040000000, 0.147882880000000, 0.793485280000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.588554960000000, 0.647882880000000, 0.706514720000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.411445040000000, 0.352117120000000, 0.293485280000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.588554960000000, 0.852117120000000, 0.206514720000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.203632514636689, 0.000000000000000, 0.087113486177564 ] # a* - [ 0.000000000000000, 0.191459478217935, 0.000000000000000 ] # b* - [ 0.000558252013184, 0.000000000000000, 0.203638519947431 ] # c*unit_cell: lattice: - [ 4.916573060000000, 0.000000000000000, -0.013478230000000 ] # a - [ 0.000000000000000, 5.223037320000000, 0.000000000000000 ] # b - [ -2.103235770000000, 0.000000000000000, 4.916428070000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.188162440000000, 0.624332580000000, 0.927557460000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.188162440000000, 0.875667420000000, 0.427557460000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.811837560000000, 0.124332580000000, 0.572442540000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.811837560000000, 0.375667420000000, 0.072442540000000 ] mass: 22.989769 reduced_to: 4 - symbol: Be # 5 coordinates: [ 0.331782400000000, 0.398329260000000, 0.571424380000000 ] mass: 9.012182 reduced_to: 5 - symbol: Be # 6 coordinates: [ 0.668217600000000, 0.898329260000000, 0.928575620000000 ] mass: 9.012182 reduced_to: 6 - symbol: Be # 7 coordinates: [ 0.331782400000000, 0.101670740000000, 0.071424380000000 ] mass: 9.012182 reduced_to: 7 - symbol: Be # 8 coordinates: [ 0.668217600000000, 0.601670740000000, 0.428575620000000 ] mass: 9.012182 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.411445040000000, 0.147882880000000, 0.793485280000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.588554960000000, 0.647882880000000, 0.706514720000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.411445040000000, 0.352117120000000, 0.293485280000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.588554960000000, 0.852117120000000, 0.206514720000000 ] mass: 15.999400 reduced_to: 14supercell: lattice: - [ 9.833146120000000, 0.000000000000000, -0.026956460000000 ] # a - [ 0.000000000000000, 10.446074640000001, 0.000000000000000 ] # b - [ -4.206471540000000, 0.000000000000000, 9.832856140000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.094081220000000, 0.312166290000000, 0.463778730000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.594081220000000, 0.312166290000000, 0.463778730000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.094081220000000, 0.812166290000000, 0.463778730000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.594081220000000, 0.812166290000000, 0.463778730000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 5 coordinates: [ 0.094081220000000, 0.312166290000000, 0.963778730000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 6 coordinates: [ 0.594081220000000, 0.312166290000000, 0.963778730000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 7 coordinates: [ 0.094081220000000, 0.812166290000000, 0.963778730000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 8 coordinates: [ 0.594081220000000, 0.812166290000000, 0.963778730000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 9 coordinates: [ 0.094081220000000, 0.437833710000000, 0.213778730000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.594081220000000, 0.437833710000000, 0.213778730000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.094081220000000, 0.937833710000000, 0.213778730000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 12 coordinates: [ 0.594081220000000, 0.937833710000000, 0.213778730000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 13 coordinates: [ 0.094081220000000, 0.437833710000000, 0.713778730000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 14 coordinates: [ 0.594081220000000, 0.437833710000000, 0.713778730000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 15 coordinates: [ 0.094081220000000, 0.937833710000000, 0.713778730000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 16 coordinates: [ 0.594081220000000, 0.937833710000000, 0.713778730000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 17 coordinates: [ 0.405918780000000, 0.062166290000000, 0.286221270000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.905918780000000, 0.062166290000000, 0.286221270000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 19 coordinates: [ 0.405918780000000, 0.562166290000000, 0.286221270000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 20 coordinates: [ 0.905918780000000, 0.562166290000000, 0.286221270000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 21 coordinates: [ 0.405918780000000, 0.062166290000000, 0.786221270000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 22 coordinates: [ 0.905918780000000, 0.062166290000000, 0.786221270000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 23 coordinates: [ 0.405918780000000, 0.562166290000000, 0.786221270000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 24 coordinates: [ 0.905918780000000, 0.562166290000000, 0.786221270000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 25 coordinates: [ 0.405918780000000, 0.187833710000000, 0.036221270000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.905918780000000, 0.187833710000000, 0.036221270000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 27 coordinates: [ 0.405918780000000, 0.687833710000000, 0.036221270000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 28 coordinates: [ 0.905918780000000, 0.687833710000000, 0.036221270000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 29 coordinates: [ 0.405918780000000, 0.187833710000000, 0.536221270000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 30 coordinates: [ 0.905918780000000, 0.187833710000000, 0.536221270000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 31 coordinates: [ 0.405918780000000, 0.687833710000000, 0.536221270000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 32 coordinates: [ 0.905918780000000, 0.687833710000000, 0.536221270000000 ] mass: 22.989769 reduced_to: 25 - symbol: Be # 33 coordinates: [ 0.165891200000000, 0.199164630000000, 0.285712190000000 ] mass: 9.012182 reduced_to: 33 - symbol: Be # 34 coordinates: [ 0.665891200000000, 0.199164630000000, 0.285712190000000 ] mass: 9.012182 reduced_to: 33 - symbol: Be # 35 coordinates: [ 0.165891200000000, 0.699164630000000, 0.285712190000000 ] mass: 9.012182 reduced_to: 33 - symbol: Be # 36 coordinates: [ 0.665891200000000, 0.699164630000000, 0.285712190000000 ] mass: 9.012182 reduced_to: 33 - symbol: Be # 37 coordinates: [ 0.165891200000000, 0.199164630000000, 0.785712190000000 ] mass: 9.012182 reduced_to: 33 - symbol: Be # 38 coordinates: [ 0.665891200000000, 0.199164630000000, 0.785712190000000 ] mass: 9.012182 reduced_to: 33 - symbol: Be # 39 coordinates: [ 0.165891200000000, 0.699164630000000, 0.785712190000000 ] mass: 9.012182 reduced_to: 33 - symbol: Be # 40 coordinates: [ 0.665891200000000, 0.699164630000000, 0.785712190000000 ] mass: 9.012182 reduced_to: 33 - symbol: Be # 41 coordinates: [ 0.334108800000000, 0.449164630000000, 0.464287810000000 ] mass: 9.012182 reduced_to: 41 - symbol: Be # 42 coordinates: [ 0.834108800000000, 0.449164630000000, 0.464287810000000 ] mass: 9.012182 reduced_to: 41 - symbol: Be # 43 coordinates: [ 0.334108800000000, 0.949164630000000, 0.464287810000000 ] mass: 9.012182 reduced_to: 41 - symbol: Be # 44 coordinates: [ 0.834108800000000, 0.949164630000000, 0.464287810000000 ] mass: 9.012182 reduced_to: 41 - symbol: Be # 45 coordinates: [ 0.334108800000000, 0.449164630000000, 0.964287810000000 ] mass: 9.012182 reduced_to: 41 - symbol: Be # 46 coordinates: [ 0.834108800000000, 0.449164630000000, 0.964287810000000 ] mass: 9.012182 reduced_to: 41 - symbol: Be # 47 coordinates: [ 0.334108800000000, 0.949164630000000, 0.964287810000000 ] mass: 9.012182 reduced_to: 41 - symbol: Be # 48 coordinates: [ 0.834108800000000, 0.949164630000000, 0.964287810000000 ] mass: 9.012182 reduced_to: 41 - symbol: Be # 49 coordinates: [ 0.165891200000000, 0.050835370000000, 0.035712190000000 ] mass: 9.012182 reduced_to: 49 - symbol: Be # 50 coordinates: [ 0.665891200000000, 0.050835370000000, 0.035712190000000 ] mass: 9.012182 reduced_to: 49 - symbol: Be # 51 coordinates: [ 0.165891200000000, 0.550835370000000, 0.035712190000000 ] mass: 9.012182 reduced_to: 49 - symbol: Be # 52 coordinates: [ 0.665891200000000, 0.550835370000000, 0.035712190000000 ] mass: 9.012182 reduced_to: 49 - symbol: Be # 53 coordinates: [ 0.165891200000000, 0.050835370000000, 0.535712190000000 ] mass: 9.012182 reduced_to: 49 - symbol: Be # 54 coordinates: [ 0.665891200000000, 0.050835370000000, 0.535712190000000 ] mass: 9.012182 reduced_to: 49 - symbol: Be # 55 coordinates: [ 0.165891200000000, 0.550835370000000, 0.535712190000000 ] mass: 9.012182 reduced_to: 49 - symbol: Be # 56 coordinates: [ 0.665891200000000, 0.550835370000000, 0.535712190000000 ] mass: 9.012182 reduced_to: 49 - symbol: Be # 57 coordinates: [ 0.334108800000000, 0.300835370000000, 0.214287810000000 ] mass: 9.012182 reduced_to: 57 - symbol: Be # 58 coordinates: [ 0.834108800000000, 0.300835370000000, 0.214287810000000 ] mass: 9.012182 reduced_to: 57 - symbol: Be # 59 coordinates: [ 0.334108800000000, 0.800835370000000, 0.214287810000000 ] mass: 9.012182 reduced_to: 57 - symbol: Be # 60 coordinates: [ 0.834108800000000, 0.800835370000000, 0.214287810000000 ] mass: 9.012182 reduced_to: 57 - symbol: Be # 61 coordinates: [ 0.334108800000000, 0.300835370000000, 0.714287810000000 ] mass: 9.012182 reduced_to: 57 - symbol: Be # 62 coordinates: [ 0.834108800000000, 0.300835370000000, 0.714287810000000 ] mass: 9.012182 reduced_to: 57 - symbol: Be # 63 coordinates: [ 0.334108800000000, 0.800835370000000, 0.714287810000000 ] mass: 9.012182 reduced_to: 57 - symbol: Be # 64 coordinates: [ 0.834108800000000, 0.800835370000000, 0.714287810000000 ] mass: 9.012182 reduced_to: 57 - symbol: O # 65 coordinates: [ 0.000000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.500000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.000000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 70 coordinates: [ 0.500000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 71 coordinates: [ 0.000000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 72 coordinates: [ 0.500000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 80 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 81 coordinates: [ 0.205722520000000, 0.073941440000000, 0.396742640000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.705722520000000, 0.073941440000000, 0.396742640000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.205722520000000, 0.573941440000000, 0.396742640000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.705722520000000, 0.573941440000000, 0.396742640000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.205722520000000, 0.073941440000000, 0.896742640000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 86 coordinates: [ 0.705722520000000, 0.073941440000000, 0.896742640000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 87 coordinates: [ 0.205722520000000, 0.573941440000000, 0.896742640000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 88 coordinates: [ 0.705722520000000, 0.573941440000000, 0.896742640000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 89 coordinates: [ 0.294277480000000, 0.323941440000000, 0.353257360000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.794277480000000, 0.323941440000000, 0.353257360000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.294277480000000, 0.823941440000000, 0.353257360000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.794277480000000, 0.823941440000000, 0.353257360000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.294277480000000, 0.323941440000000, 0.853257360000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 94 coordinates: [ 0.794277480000000, 0.323941440000000, 0.853257360000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 95 coordinates: [ 0.294277480000000, 0.823941440000000, 0.853257360000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 96 coordinates: [ 0.794277480000000, 0.823941440000000, 0.853257360000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 97 coordinates: [ 0.205722520000000, 0.176058560000000, 0.146742640000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.705722520000000, 0.176058560000000, 0.146742640000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.205722520000000, 0.676058560000000, 0.146742640000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.705722520000000, 0.676058560000000, 0.146742640000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.205722520000000, 0.176058560000000, 0.646742640000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 102 coordinates: [ 0.705722520000000, 0.176058560000000, 0.646742640000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 103 coordinates: [ 0.205722520000000, 0.676058560000000, 0.646742640000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 104 coordinates: [ 0.705722520000000, 0.676058560000000, 0.646742640000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 105 coordinates: [ 0.294277480000000, 0.426058560000000, 0.103257360000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.794277480000000, 0.426058560000000, 0.103257360000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.294277480000000, 0.926058560000000, 0.103257360000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.794277480000000, 0.926058560000000, 0.103257360000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.294277480000000, 0.426058560000000, 0.603257360000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 110 coordinates: [ 0.794277480000000, 0.426058560000000, 0.603257360000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 111 coordinates: [ 0.294277480000000, 0.926058560000000, 0.603257360000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 112 coordinates: [ 0.794277480000000, 0.926058560000000, 0.603257360000000 ] mass: 15.999400 reduced_to: 105born_effective_charge:- # 1 (Na) - [ 1.051905850000000, -0.001431940000000, -0.002615930000000 ] - [ -0.001049510000000, 1.025182310000000, 0.011517350000000 ] - [ 0.008883500000000, -0.001871000000000, 0.969564880000000 ]- # 2 (Na) - [ 1.051905850000000, 0.001431940000000, -0.002615930000000 ] - [ 0.001049510000000, 1.025182310000000, -0.011517350000000 ] - [ 0.008883500000000, 0.001871000000000, 0.969564880000000 ]- # 3 (Na) - [ 1.051905850000000, 0.001431940000000, -0.002615930000000 ] - [ 0.001049510000000, 1.025182310000000, -0.011517350000000 ] - [ 0.008883500000000, 0.001871000000000, 0.969564880000000 ]- # 4 (Na) - [ 1.051905850000000, -0.001431940000000, -0.002615930000000 ] - [ -0.001049510000000, 1.025182310000000, 0.011517350000000 ] - [ 0.008883500000000, -0.001871000000000, 0.969564880000000 ]- # 5 (Be) - [ 1.911116420000000, 0.040738220000000, -0.034220820000000 ] - [ 0.017024920000000, 1.724865370000000, -0.130921670000000 ] - [ -0.052338800000000, -0.172960610000000, 1.684082450000000 ]- # 6 (Be) - [ 1.911116420000000, -0.040738220000000, -0.034220820000000 ] - [ -0.017024920000000, 1.724865370000000, 0.130921670000000 ] - [ -0.052338800000000, 0.172960610000000, 1.684082450000000 ]- # 7 (Be) - [ 1.911116420000000, -0.040738220000000, -0.034220820000000 ] - [ -0.017024920000000, 1.724865370000000, 0.130921670000000 ] - [ -0.052338800000000, 0.172960610000000, 1.684082450000000 ]- # 8 (Be) - [ 1.911116420000000, 0.040738220000000, -0.034220820000000 ] - [ 0.017024920000000, 1.724865370000000, -0.130921670000000 ] - [ -0.052338800000000, -0.172960610000000, 1.684082450000000 ]- # 9 (O) - [ -2.502433770000000, 0.372017060000000, -0.245239790000000 ] - [ 0.329839830000000, -1.544349240000000, 0.113211310000000 ] - [ -0.242509300000000, 0.156727200000000, -1.416164000000000 ]- # 10 (O) - [ -2.502433770000000, -0.372017060000000, -0.245239790000000 ] - [ -0.329839830000000, -1.544349240000000, -0.113211310000000 ] - [ -0.242509300000000, -0.156727200000000, -1.416164000000000 ]- # 11 (O) - [ -1.711805390000000, 0.164087760000000, 0.159456660000000 ] - [ 0.135357920000000, -1.977873070000000, 0.544388390000000 ] - [ 0.164709950000000, 0.459744630000000, -1.945565330000000 ]- # 12 (O) - [ -1.711805390000000, -0.164087760000000, 0.159456660000000 ] - [ -0.135357920000000, -1.977873070000000, -0.544388390000000 ] - [ 0.164709950000000, -0.459744630000000, -1.945565330000000 ]- # 13 (O) - [ -1.711805390000000, -0.164087760000000, 0.159456660000000 ] - [ -0.135357920000000, -1.977873070000000, -0.544388390000000 ] - [ 0.164709950000000, -0.459744630000000, -1.945565330000000 ]- # 14 (O) - [ -1.711805390000000, 0.164087760000000, 0.159456660000000 ] - [ 0.135357920000000, -1.977873070000000, 0.544388390000000 ] - [ 0.164709950000000, 0.459744630000000, -1.945565330000000 ]dielectric_constant: - [ 2.919706650000000, 0.000000000000000, -0.041249220000000 ] - [ 0.000000000000000, 2.902035220000000, 0.000000000000000 ] - [ -0.041250460000000, 0.000000000000000, 2.828025890000000 ]displacements:- atom: 1 displacement: [ 0.0099999624241954, 0.0000000000000000, -0.0000274137680657 ] forces: - [ -0.0384170800000000, 0.0003923400000000, -0.0038394800000000 ] - [ 0.0021196600000000, -0.0000074400000000, 0.0000680000000000 ] - [ -0.0006143100000000, -0.0000961800000000, 0.0001013200000000 ] - [ 0.0003923500000000, 0.0000218800000000, -0.0000005700000000 ] - [ -0.0002800000000000, -0.0000176900000000, -0.0004991400000000 ] - [ 0.0002369400000000, 0.0000025300000000, 0.0004851400000000 ] - [ -0.0000883200000000, 0.0000073100000000, -0.0001322400000000 ] - [ 0.0000590500000000, 0.0000076200000000, 0.0001192000000000 ] - [ -0.0010978100000000, 0.0013811700000000, -0.0029719400000000 ] - [ 0.0008905900000000, -0.0003670900000000, 0.0006306000000000 ] - [ -0.0003501600000000, -0.0001355100000000, -0.0003054900000000 ] - [ 0.0002375700000000, 0.0001166700000000, 0.0001531900000000 ] - [ -0.0010735800000000, -0.0017349700000000, -0.0030395700000000 ] - [ 0.0008867400000000, 0.0001221900000000, 0.0003770100000000 ] - [ -0.0003471900000000, 0.0000193100000000, -0.0001698500000000 ] - [ 0.0002378200000000, -0.0000511000000000, 0.0001005600000000 ] - [ 0.0008183000000000, -0.0003768800000000, -0.0002262700000000 ] - [ -0.0006813700000000, 0.0017135700000000, 0.0011241800000000 ] - [ 0.0008177600000000, 0.0005325100000000, -0.0002075800000000 ] - [ -0.0006831400000000, -0.0016452800000000, 0.0009429800000000 ] - [ 0.0001018200000000, -0.0002458300000000, 0.0003908400000000 ] - [ 0.0001106900000000, 0.0002715600000000, -0.0002943900000000 ] - [ 0.0001030500000000, 0.0003334300000000, 0.0004784800000000 ] - [ 0.0001121900000000, -0.0002503200000000, -0.0003747600000000 ] - [ 0.0003437900000000, -0.0000793700000000, 0.0001006700000000 ] - [ -0.0002802600000000, 0.0000952700000000, -0.0000508100000000 ] - [ 0.0001725400000000, 0.0000250500000000, 0.0000258800000000 ] - [ -0.0001605200000000, -0.0000539400000000, -0.0000481200000000 ] - [ 0.0047198000000000, -0.0028879900000000, 0.0018692000000000 ] - [ 0.0087157600000000, 0.0077699700000000, -0.0044321300000000 ] - [ 0.0003178100000000, 0.0003879700000000, 0.0001872400000000 ] - [ 0.0000463600000000, -0.0004592700000000, -0.0001753600000000 ] - [ 0.0010512900000000, -0.0066331700000000, -0.0114116100000000 ] - [ 0.0030017400000000, 0.0024742900000000, 0.0019905900000000 ] - [ -0.0004201200000000, 0.0008773900000000, -0.0010079400000000 ] - [ 0.0003693100000000, -0.0004466400000000, 0.0005317900000000 ] - [ -0.0021114500000000, 0.0008159900000000, -0.0004450200000000 ] - [ 0.0012074200000000, -0.0001620000000000, 0.0001410800000000 ] - [ -0.0004028500000000, -0.0000138900000000, -0.0000869100000000 ] - [ 0.0003354300000000, -0.0000513100000000, 0.0000670400000000 ] - [ 0.0093802600000000, 0.0086739800000000, 0.0011453700000000 ] - [ 0.0064742800000000, -0.0067198300000000, -0.0011797400000000 ] - [ 0.0009911200000000, -0.0010026200000000, 0.0008198600000000 ] - [ 0.0002027500000000, 0.0007142400000000, -0.0001446000000000 ] - [ 0.0003476200000000, 0.0003534600000000, -0.0001556800000000 ] - [ -0.0004747900000000, -0.0003098000000000, 0.0002919900000000 ] - [ 0.0002353500000000, 0.0000796100000000, -0.0000330600000000 ] - [ -0.0001900900000000, -0.0000317600000000, 0.0000223200000000 ] - [ -0.0001024200000000, -0.0004614800000000, -0.0005790800000000 ] - [ 0.0000487200000000, 0.0005272100000000, 0.0005979300000000 ] - [ -0.0003069500000000, 0.0001433800000000, -0.0005362000000000 ] - [ 0.0004158900000000, -0.0003179600000000, 0.0005041600000000 ] - [ -0.0033674300000000, -0.0022508400000000, 0.0008424600000000 ] - [ 0.0012535400000000, 0.0003639700000000, -0.0003024600000000 ] - [ -0.0064286800000000, 0.0034589700000000, 0.0001749900000000 ] - [ 0.0020586500000000, -0.0004172200000000, 0.0002156100000000 ] - [ 0.0027958500000000, -0.0009759200000000, -0.0028710800000000 ] - [ -0.0010863700000000, 0.0012907500000000, 0.0073073700000000 ] - [ 0.0005469700000000, -0.0000450200000000, -0.0002082400000000 ] - [ -0.0004835200000000, 0.0000088500000000, 0.0001258700000000 ] - [ 0.0005652900000000, -0.0014593300000000, 0.0068479000000000 ] - [ 0.0013252500000000, 0.0003219000000000, -0.0008100700000000 ] - [ -0.0000401800000000, -0.0002179200000000, 0.0002766500000000 ] - [ 0.0000833400000000, 0.0001022500000000, -0.0002237500000000 ] - [ 0.0049420200000000, -0.0008648800000000, 0.0004499100000000 ] - [ -0.0036570700000000, 0.0003338700000000, -0.0002325400000000 ] - [ 0.0009417300000000, -0.0001736000000000, 0.0002067400000000 ] - [ -0.0007479800000000, 0.0001648200000000, -0.0001582800000000 ] - [ -0.0000517400000000, -0.0008557000000000, 0.0024024700000000 ] - [ -0.0012658200000000, 0.0007205000000000, -0.0013291500000000 ] - [ 0.0002091200000000, 0.0000698900000000, 0.0002720800000000 ] - [ -0.0002581500000000, -0.0000300400000000, -0.0002395600000000 ] - [ 0.0003403100000000, 0.0000885600000000, 0.0003117500000000 ] - [ -0.0003442600000000, -0.0001799300000000, -0.0002855300000000 ] - [ 0.0005218200000000, 0.0001463400000000, 0.0004152000000000 ] - [ -0.0005375400000000, -0.0000825900000000, -0.0004202600000000 ] - [ 0.0014461000000000, -0.0015734500000000, 0.0004386800000000 ] - [ -0.0013655300000000, 0.0002249400000000, -0.0002552300000000 ] - [ 0.0087315100000000, -0.0057774800000000, -0.0006097800000000 ] - [ -0.0029325600000000, -0.0013113800000000, -0.0006975400000000 ] - [ 0.0004214300000000, 0.0039051400000000, 0.0006756700000000 ] - [ -0.0012707900000000, -0.0013670100000000, 0.0000647900000000 ] - [ 0.0011706300000000, -0.0032833700000000, 0.0008759700000000 ] - [ -0.0014340800000000, 0.0014248300000000, -0.0000450900000000 ] - [ 0.0003849900000000, -0.0000623600000000, 0.0001807100000000 ] - [ -0.0001735300000000, 0.0000224200000000, -0.0002919100000000 ] - [ 0.0002203400000000, -0.0001288400000000, 0.0004369300000000 ] - [ -0.0001464400000000, 0.0002146300000000, -0.0003346500000000 ] - [ -0.0046609100000000, -0.0000660400000000, 0.0043143800000000 ] - [ -0.0048169900000000, -0.0000591400000000, -0.0042358700000000 ] - [ -0.0004540900000000, 0.0001897700000000, 0.0002582000000000 ] - [ 0.0000379700000000, -0.0001222400000000, -0.0003518200000000 ] - [ 0.0008686800000000, 0.0001482900000000, -0.0007585500000000 ] - [ -0.0006275500000000, -0.0000613100000000, 0.0001414600000000 ] - [ 0.0000464300000000, 0.0000067700000000, -0.0001405300000000 ] - [ -0.0000691900000000, 0.0000031200000000, 0.0000476700000000 ] - [ 0.0000147100000000, 0.0009726100000000, 0.0019528100000000 ] - [ -0.0000447300000000, -0.0012061900000000, -0.0017122300000000 ] - [ -0.0000643000000000, -0.0001915300000000, 0.0005261200000000 ] - [ -0.0000294300000000, 0.0002382400000000, -0.0002766400000000 ] - [ 0.0038540000000000, 0.0001193000000000, 0.0003666200000000 ] - [ -0.0012734700000000, -0.0002742000000000, 0.0002342800000000 ] - [ 0.0013423100000000, -0.0002383800000000, 0.0001106000000000 ] - [ -0.0006188400000000, 0.0001410000000000, 0.0000947400000000 ] - [ -0.0007022000000000, -0.0004631000000000, 0.0012259700000000 ] - [ 0.0005910300000000, 0.0005295300000000, -0.0014975200000000 ] - [ -0.0002898800000000, 0.0001134600000000, 0.0001772800000000 ] - [ 0.0002450100000000, -0.0001821000000000, -0.0002080500000000 ] - [ 0.0090980300000000, 0.0040162500000000, 0.0049961100000000 ] - [ -0.0021110200000000, 0.0009533800000000, 0.0009857400000000 ] - [ 0.0002617000000000, 0.0005961300000000, -0.0006511500000000 ] - [ -0.0003838600000000, -0.0002699000000000, 0.0002746600000000 ]- atom: 1 displacement: [ -0.0099999624241954, 0.0000000000000000, 0.0000274137680657 ] forces: - [ 0.0382721400000000, -0.0009147400000000, 0.0034742200000000 ] - [ -0.0021488100000000, 0.0000212600000000, -0.0000604400000000 ] - [ 0.0005864700000000, 0.0001119400000000, -0.0000929700000000 ] - [ -0.0004223100000000, -0.0000072600000000, 0.0000067600000000 ] - [ 0.0002506800000000, 0.0000326200000000, 0.0005074400000000 ] - [ -0.0002679300000000, 0.0000120400000000, -0.0004804900000000 ] - [ 0.0000593800000000, 0.0000066600000000, 0.0001401600000000 ] - [ -0.0000884600000000, 0.0000058400000000, -0.0001113000000000 ] - [ 0.0010454500000000, -0.0014020500000000, 0.0029871200000000 ] - [ -0.0009189800000000, 0.0003506400000000, -0.0006237700000000 ] - [ 0.0003197100000000, 0.0001187700000000, 0.0003136000000000 ] - [ -0.0002687500000000, -0.0001352900000000, -0.0001478600000000 ] - [ 0.0010697200000000, 0.0017159600000000, 0.0030412200000000 ] - [ -0.0009205400000000, -0.0001366300000000, -0.0003665300000000 ] - [ 0.0003217100000000, -0.0000372000000000, 0.0001778000000000 ] - [ -0.0002684500000000, 0.0000313100000000, -0.0000928700000000 ] - [ -0.0007892800000000, 0.0003904600000000, 0.0002172800000000 ] - [ 0.0007241000000000, -0.0016962300000000, -0.0011294000000000 ] - [ -0.0007888500000000, -0.0005109900000000, 0.0001988400000000 ] - [ 0.0007237500000000, 0.0016618900000000, -0.0009435100000000 ] - [ -0.0000755300000000, 0.0002630400000000, -0.0004009400000000 ] - [ -0.0000819000000000, -0.0002556600000000, 0.0002888000000000 ] - [ -0.0000747900000000, -0.0003162700000000, -0.0004868900000000 ] - [ -0.0000807600000000, 0.0002685800000000, 0.0003696600000000 ] - [ -0.0003155300000000, 0.0000661800000000, -0.0001105900000000 ] - [ 0.0003103500000000, -0.0001070800000000, 0.0000475300000000 ] - [ -0.0001426600000000, -0.0000367500000000, -0.0000336800000000 ] - [ 0.0001890800000000, 0.0000393700000000, 0.0000405200000000 ] - [ -0.0046390000000000, 0.0028332700000000, -0.0018525700000000 ] - [ -0.0087646600000000, -0.0078966300000000, 0.0044833600000000 ] - [ -0.0002913400000000, -0.0004030000000000, -0.0001928700000000 ] - [ -0.0000156000000000, 0.0004432800000000, 0.0001686500000000 ] - [ -0.0011039300000000, 0.0066026800000000, 0.0113352800000000 ] - [ -0.0030295800000000, -0.0024487300000000, -0.0019944800000000 ] - [ 0.0004041500000000, -0.0008474000000000, 0.0010172700000000 ] - [ -0.0003840300000000, 0.0004796500000000, -0.0005240800000000 ] - [ 0.0021181300000000, -0.0007861000000000, 0.0004408400000000 ] - [ -0.0012243700000000, 0.0001939700000000, -0.0001299300000000 ] - [ 0.0003894200000000, 0.0000448500000000, 0.0000919900000000 ] - [ -0.0003542500000000, 0.0000825600000000, -0.0000558300000000 ] - [ -0.0092452000000000, -0.0085025200000000, -0.0011310300000000 ] - [ -0.0065323900000000, 0.0068607700000000, 0.0011715100000000 ] - [ -0.0009844700000000, 0.0010330500000000, -0.0008289000000000 ] - [ -0.0001796200000000, -0.0006889800000000, 0.0001397900000000 ] - [ -0.0003314700000000, -0.0003235600000000, 0.0001416900000000 ] - [ 0.0004909600000000, 0.0003431200000000, -0.0002982700000000 ] - [ -0.0002223900000000, -0.0000503700000000, 0.0000216200000000 ] - [ 0.0002043200000000, 0.0000617500000000, -0.0000295300000000 ] - [ 0.0000892600000000, 0.0004274900000000, 0.0005846900000000 ] - [ -0.0000632900000000, -0.0005627500000000, -0.0005899600000000 ] - [ 0.0002902300000000, -0.0001723100000000, 0.0005434400000000 ] - [ -0.0004308300000000, 0.0002867700000000, -0.0004971100000000 ] - [ 0.0033341700000000, 0.0022688700000000, -0.0008388500000000 ] - [ -0.0012713200000000, -0.0004008800000000, 0.0003155900000000 ] - [ 0.0063798800000000, -0.0035573900000000, -0.0001834700000000 ] - [ -0.0020742000000000, 0.0003930000000000, -0.0002114900000000 ] - [ -0.0027719000000000, 0.0009457000000000, 0.0028559600000000 ] - [ 0.0011318600000000, -0.0013281000000000, -0.0073583100000000 ] - [ -0.0005333200000000, 0.0000132800000000, 0.0002006600000000 ] - [ 0.0005016500000000, -0.0000403600000000, -0.0001346100000000 ] - [ -0.0005855600000000, 0.0014349400000000, -0.0068291200000000 ] - [ -0.0013163200000000, -0.0003537100000000, 0.0008121500000000 ] - [ 0.0000519800000000, 0.0001862300000000, -0.0002872800000000 ] - [ -0.0000654400000000, -0.0001341100000000, 0.0002178900000000 ] - [ -0.0049425500000000, 0.0009152300000000, -0.0002966700000000 ] - [ 0.0036570300000000, -0.0003339900000000, 0.0002367100000000 ] - [ -0.0009419400000000, 0.0001756000000000, -0.0002083000000000 ] - [ 0.0007481200000000, -0.0001669800000000, 0.0001597900000000 ] - [ 0.0000428600000000, 0.0008611300000000, -0.0024190900000000 ] - [ 0.0012736700000000, -0.0007234400000000, 0.0013235500000000 ] - [ -0.0002132700000000, -0.0000662000000000, -0.0002703300000000 ] - [ 0.0002606900000000, 0.0000314500000000, 0.0002409300000000 ] - [ -0.0003402000000000, -0.0000889600000000, -0.0003127400000000 ] - [ 0.0003451800000000, 0.0001807300000000, 0.0002866200000000 ] - [ -0.0005220600000000, -0.0001471300000000, -0.0004169900000000 ] - [ 0.0005371600000000, 0.0000833100000000, 0.0004214700000000 ] - [ -0.0014625000000000, 0.0015677600000000, -0.0004388300000000 ] - [ 0.0013707400000000, -0.0002195100000000, 0.0002582200000000 ] - [ -0.0088175600000000, 0.0059973500000000, 0.0006391900000000 ] - [ 0.0029319600000000, 0.0013017300000000, 0.0006897200000000 ] - [ -0.0003614300000000, -0.0039215300000000, -0.0006039700000000 ] - [ 0.0013020000000000, 0.0013626400000000, 0.0000084900000000 ] - [ -0.0011252200000000, 0.0032591300000000, -0.0008060300000000 ] - [ 0.0014596100000000, -0.0014487800000000, 0.0001200400000000 ] - [ -0.0003619500000000, 0.0000457100000000, -0.0001025600000000 ] - [ 0.0002011400000000, -0.0000379500000000, 0.0003621000000000 ] - [ -0.0001937600000000, 0.0001113600000000, -0.0003609800000000 ] - [ 0.0001762600000000, -0.0002304800000000, 0.0004078900000000 ] - [ 0.0047263800000000, 0.0000523700000000, -0.0044109700000000 ] - [ 0.0047087000000000, 0.0000467800000000, 0.0041567100000000 ] - [ 0.0004284000000000, -0.0002067600000000, -0.0003296100000000 ] - [ -0.0000690100000000, 0.0001063600000000, 0.0002824000000000 ] - [ -0.0008987000000000, -0.0001620100000000, 0.0006976200000000 ] - [ 0.0006012200000000, 0.0000442300000000, -0.0002186200000000 ] - [ -0.0000760200000000, -0.0000197600000000, 0.0000705900000000 ] - [ 0.0000411500000000, -0.0000186700000000, -0.0001194700000000 ] - [ 0.0000173700000000, -0.0009465200000000, -0.0018716100000000 ] - [ 0.0000664600000000, 0.0012289800000000, 0.0017941100000000 ] - [ 0.0000933100000000, 0.0002076000000000, -0.0004540500000000 ] - [ 0.0000558200000000, -0.0002221700000000, 0.0003484700000000 ] - [ -0.0038343200000000, -0.0000740200000000, -0.0003222600000000 ] - [ 0.0013047500000000, 0.0002923100000000, -0.0001660700000000 ] - [ -0.0013142000000000, 0.0002625000000000, -0.0000352400000000 ] - [ 0.0006470100000000, -0.0001274400000000, -0.0000266500000000 ] - [ 0.0006710300000000, 0.0004756100000000, -0.0012891900000000 ] - [ -0.0006262300000000, -0.0005120100000000, 0.0014279100000000 ] - [ 0.0002615500000000, -0.0000969300000000, -0.0002492400000000 ] - [ -0.0002743000000000, 0.0001993900000000, 0.0001355500000000 ] - [ -0.0089022600000000, -0.0037721200000000, -0.0048073600000000 ] - [ 0.0020913300000000, -0.0009515400000000, -0.0010643200000000 ] - [ -0.0002864100000000, -0.0005838900000000, 0.0005765100000000 ] - [ 0.0003524100000000, 0.0002908000000000, -0.0003477800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007171400000000, -0.0601251100000000, -0.0152705000000000 ] - [ -0.0000289300000000, -0.0005593000000000, -0.0000464300000000 ] - [ -0.0001187900000000, 0.0017149400000000, 0.0000612800000000 ] - [ 0.0000006100000000, 0.0005147400000000, 0.0000400200000000 ] - [ -0.0000403900000000, -0.0003389500000000, 0.0000588900000000 ] - [ -0.0000198300000000, -0.0002387700000000, 0.0000362900000000 ] - [ -0.0000142300000000, 0.0002962100000000, -0.0000193600000000 ] - [ -0.0000133300000000, 0.0002074200000000, 0.0000029100000000 ] - [ 0.0017025100000000, -0.0001300200000000, -0.0041660700000000 ] - [ -0.0001431900000000, -0.0001882300000000, -0.0002076600000000 ] - [ -0.0000405900000000, 0.0007656800000000, 0.0006803900000000 ] - [ 0.0000260800000000, 0.0001958400000000, 0.0001339300000000 ] - [ -0.0013977000000000, -0.0001249200000000, 0.0036431200000000 ] - [ 0.0003447000000000, -0.0001868500000000, 0.0003861200000000 ] - [ 0.0001117500000000, 0.0007661500000000, -0.0005876000000000 ] - [ -0.0001406900000000, 0.0001948500000000, -0.0002022900000000 ] - [ -0.0005036500000000, -0.0000000600000000, 0.0003426100000000 ] - [ 0.0016658300000000, 0.0023918100000000, 0.0027875300000000 ] - [ 0.0003995800000000, -0.0000027000000000, -0.0003620900000000 ] - [ -0.0017087400000000, 0.0024122700000000, -0.0023950100000000 ] - [ -0.0003117900000000, 0.0002480100000000, -0.0006100400000000 ] - [ 0.0002731000000000, 0.0000910700000000, -0.0002520600000000 ] - [ 0.0002712900000000, 0.0002467400000000, 0.0006240800000000 ] - [ -0.0002477200000000, 0.0000889400000000, 0.0003570200000000 ] - [ -0.0000582700000000, -0.0001730600000000, -0.0000684800000000 ] - [ 0.0001175600000000, -0.0001626900000000, 0.0003376500000000 ] - [ 0.0000464800000000, 0.0001524200000000, 0.0000049600000000 ] - [ -0.0000332200000000, 0.0002083200000000, -0.0001776500000000 ] - [ -0.0028460900000000, -0.0006094700000000, -0.0008856700000000 ] - [ 0.0078214500000000, 0.0003387400000000, -0.0026102500000000 ] - [ 0.0004131500000000, 0.0008635700000000, 0.0002684400000000 ] - [ -0.0004399100000000, 0.0012333900000000, 0.0001324000000000 ] - [ -0.0066743700000000, -0.0008870600000000, 0.0089291600000000 ] - [ 0.0001818500000000, -0.0010786100000000, 0.0001616800000000 ] - [ 0.0002972800000000, 0.0027089500000000, -0.0016340700000000 ] - [ 0.0000244200000000, 0.0009744400000000, -0.0002415300000000 ] - [ 0.0010469700000000, -0.0009286100000000, -0.0026442500000000 ] - [ 0.0000017100000000, -0.0002027800000000, -0.0001552200000000 ] - [ -0.0003674200000000, 0.0007795500000000, 0.0008195800000000 ] - [ -0.0000023900000000, 0.0003257300000000, 0.0001760500000000 ] - [ 0.0079656300000000, 0.0003560100000000, -0.0005716000000000 ] - [ -0.0066524900000000, -0.0006629600000000, -0.0010740700000000 ] - [ -0.0016635900000000, 0.0026680600000000, -0.0008176300000000 ] - [ 0.0022788100000000, 0.0012222600000000, 0.0007402200000000 ] - [ 0.0000481000000000, -0.0004332800000000, 0.0000680700000000 ] - [ 0.0000487800000000, -0.0002857500000000, -0.0001922600000000 ] - [ -0.0001320000000000, 0.0005015500000000, -0.0000600000000000 ] - [ 0.0001118700000000, 0.0002813700000000, 0.0001475200000000 ] - [ 0.0000410600000000, 0.0003167600000000, 0.0000383000000000 ] - [ -0.0000139000000000, 0.0000741500000000, 0.0001142800000000 ] - [ 0.0000256100000000, -0.0002281300000000, -0.0000331400000000 ] - [ -0.0000816500000000, 0.0000375700000000, -0.0000777900000000 ] - [ -0.0021817000000000, 0.0107761100000000, -0.0047280200000000 ] - [ -0.0000695100000000, -0.0002295600000000, -0.0003451900000000 ] - [ 0.0036902900000000, 0.0160065800000000, 0.0068578300000000 ] - [ 0.0000486800000000, 0.0004308900000000, 0.0003851900000000 ] - [ -0.0000421300000000, -0.0005892600000000, -0.0003648500000000 ] - [ 0.0011364400000000, -0.0027314100000000, 0.0000918300000000 ] - [ 0.0000018200000000, 0.0006365200000000, 0.0001298300000000 ] - [ -0.0004063700000000, 0.0007986100000000, 0.0000628500000000 ] - [ -0.0014658400000000, -0.0059158600000000, -0.0000003300000000 ] - [ 0.0004353600000000, -0.0012202400000000, 0.0004730900000000 ] - [ 0.0004567000000000, 0.0017742000000000, -0.0002116100000000 ] - [ -0.0000650500000000, 0.0008017300000000, -0.0002424200000000 ] - [ -0.0008474700000000, 0.0059138800000000, 0.0076648600000000 ] - [ 0.0000071500000000, 0.0005868000000000, 0.0001248000000000 ] - [ 0.0004601600000000, -0.0016208800000000, 0.0004936400000000 ] - [ 0.0000814500000000, -0.0005943200000000, 0.0000588000000000 ] - [ -0.0010614400000000, 0.0014580800000000, 0.0006250300000000 ] - [ 0.0003285700000000, 0.0015178700000000, 0.0000383000000000 ] - [ 0.0003306600000000, -0.0008812400000000, -0.0001181500000000 ] - [ -0.0000449500000000, -0.0007626100000000, -0.0000470900000000 ] - [ -0.0001522100000000, -0.0003005600000000, -0.0001807100000000 ] - [ 0.0000384900000000, -0.0002016900000000, 0.0000527900000000 ] - [ 0.0000523700000000, 0.0002625800000000, 0.0002298900000000 ] - [ 0.0000636200000000, 0.0001732400000000, -0.0000668000000000 ] - [ -0.0024014300000000, -0.0044817800000000, 0.0005483300000000 ] - [ 0.0010182200000000, -0.0004310000000000, 0.0003642600000000 ] - [ -0.0049515100000000, 0.0152835700000000, 0.0026019600000000 ] - [ -0.0013020600000000, 0.0000350200000000, 0.0000436100000000 ] - [ 0.0041088400000000, -0.0047542800000000, -0.0016730900000000 ] - [ -0.0007761500000000, 0.0002673600000000, -0.0004219700000000 ] - [ -0.0032867500000000, -0.0045558900000000, 0.0018864700000000 ] - [ 0.0011565700000000, -0.0006675100000000, 0.0006639600000000 ] - [ -0.0001284200000000, -0.0002998500000000, 0.0007877600000000 ] - [ -0.0000100600000000, 0.0000417100000000, 0.0000012500000000 ] - [ 0.0000202200000000, -0.0000218800000000, -0.0004491600000000 ] - [ -0.0000188400000000, -0.0001087600000000, 0.0000080800000000 ] - [ -0.0000271400000000, 0.0041749700000000, 0.0009796700000000 ] - [ 0.0004791600000000, 0.0041583400000000, 0.0010168400000000 ] - [ -0.0000245900000000, -0.0026236600000000, -0.0004488000000000 ] - [ -0.0003605400000000, -0.0014483800000000, -0.0006878200000000 ] - [ 0.0002577900000000, 0.0019235400000000, 0.0003965200000000 ] - [ -0.0001059500000000, 0.0005617200000000, 0.0000050500000000 ] - [ -0.0000791200000000, -0.0009260300000000, -0.0003103000000000 ] - [ -0.0000499400000000, -0.0004737700000000, -0.0001356500000000 ] - [ 0.0007867500000000, 0.0006479900000000, -0.0005734600000000 ] - [ -0.0004168400000000, 0.0004517200000000, -0.0001186800000000 ] - [ -0.0003612100000000, -0.0006391000000000, 0.0005147100000000 ] - [ 0.0001453800000000, -0.0004647900000000, 0.0001782900000000 ] - [ -0.0008275800000000, 0.0085687400000000, -0.0043082200000000 ] - [ -0.0000927800000000, 0.0006263600000000, 0.0003149600000000 ] - [ -0.0004278500000000, -0.0026994200000000, -0.0016452600000000 ] - [ 0.0000052300000000, -0.0006796800000000, -0.0003009400000000 ] - [ -0.0000793100000000, 0.0005492400000000, -0.0000487000000000 ] - [ -0.0000985100000000, 0.0008850400000000, 0.0003029100000000 ] - [ 0.0000885400000000, -0.0005804100000000, 0.0000385400000000 ] - [ -0.0000192900000000, -0.0005423700000000, -0.0001646300000000 ] - [ 0.0034118200000000, 0.0085154300000000, 0.0030227200000000 ] - [ 0.0012600700000000, 0.0010500600000000, -0.0009157900000000 ] - [ 0.0006304400000000, -0.0023543300000000, 0.0013166900000000 ] - [ -0.0006066600000000, -0.0007075600000000, 0.0004965600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005139500000000, 0.0590757500000000, 0.0145296100000000 ] - [ -0.0000003400000000, 0.0005738200000000, 0.0000515400000000 ] - [ 0.0000896100000000, -0.0017006400000000, -0.0000524300000000 ] - [ -0.0000289600000000, -0.0005007100000000, -0.0000341300000000 ] - [ 0.0000098200000000, 0.0003529900000000, -0.0000514100000000 ] - [ -0.0000107600000000, 0.0002528000000000, -0.0000304700000000 ] - [ -0.0000150100000000, -0.0002808000000000, 0.0000262300000000 ] - [ -0.0000155300000000, -0.0001928200000000, 0.0000049800000000 ] - [ -0.0017260600000000, 0.0000841400000000, 0.0041616100000000 ] - [ 0.0001161700000000, 0.0001674300000000, 0.0002185100000000 ] - [ 0.0000117000000000, -0.0007836300000000, -0.0006815700000000 ] - [ -0.0000579100000000, -0.0002116700000000, -0.0001299700000000 ] - [ 0.0013636500000000, 0.0000896600000000, -0.0036329300000000 ] - [ -0.0003753900000000, 0.0001690000000000, -0.0003792600000000 ] - [ -0.0001390100000000, -0.0007828300000000, 0.0006017500000000 ] - [ 0.0001121800000000, -0.0002123400000000, 0.0002103900000000 ] - [ 0.0005373700000000, 0.0000213800000000, -0.0003531000000000 ] - [ -0.0016573300000000, -0.0023930200000000, -0.0028313900000000 ] - [ -0.0003663800000000, 0.0000174400000000, 0.0003538200000000 ] - [ 0.0017146700000000, -0.0023733500000000, 0.0023678900000000 ] - [ 0.0003399300000000, -0.0002268300000000, 0.0006033100000000 ] - [ -0.0002448900000000, -0.0000695300000000, 0.0002466100000000 ] - [ -0.0002412200000000, -0.0002302500000000, -0.0006292400000000 ] - [ 0.0002777600000000, -0.0000728400000000, -0.0003643100000000 ] - [ 0.0000874500000000, 0.0001617100000000, 0.0000601200000000 ] - [ -0.0000866200000000, 0.0001537400000000, -0.0003436600000000 ] - [ -0.0000159600000000, -0.0001652200000000, -0.0000124400000000 ] - [ 0.0000611200000000, -0.0002230900000000, 0.0001671800000000 ] - [ 0.0028798100000000, 0.0006163200000000, 0.0008810900000000 ] - [ -0.0078293400000000, -0.0003014200000000, 0.0026175900000000 ] - [ -0.0003801200000000, -0.0008788700000000, -0.0002710100000000 ] - [ 0.0004631100000000, -0.0012509800000000, -0.0001372200000000 ] - [ 0.0066795200000000, 0.0009994900000000, -0.0089719800000000 ] - [ -0.0001947900000000, 0.0011261600000000, -0.0001554100000000 ] - [ -0.0003132200000000, -0.0026639900000000, 0.0016267000000000 ] - [ -0.0000430000000000, -0.0009489900000000, 0.0002517700000000 ] - [ -0.0010508000000000, 0.0009599200000000, 0.0026445100000000 ] - [ -0.0000194200000000, 0.0002390500000000, 0.0001623700000000 ] - [ 0.0003485400000000, -0.0007486800000000, -0.0008088000000000 ] - [ -0.0000130700000000, -0.0002963600000000, -0.0001656700000000 ] - [ -0.0078946000000000, -0.0003654300000000, 0.0005735100000000 ] - [ 0.0066602100000000, 0.0006853000000000, 0.0010700700000000 ] - [ 0.0016867900000000, -0.0026474900000000, 0.0008191800000000 ] - [ -0.0022876000000000, -0.0011939300000000, -0.0007535800000000 ] - [ -0.0000320300000000, 0.0004614700000000, -0.0000781700000000 ] - [ -0.0000330900000000, 0.0003154200000000, 0.0001836100000000 ] - [ 0.0001461700000000, -0.0004663000000000, 0.0000491500000000 ] - [ -0.0000967200000000, -0.0002471200000000, -0.0001575400000000 ] - [ -0.0000546800000000, -0.0003439200000000, -0.0000332400000000 ] - [ -0.0000028600000000, -0.0001012200000000, -0.0001053600000000 ] - [ -0.0000412600000000, 0.0001913600000000, 0.0000388400000000 ] - [ 0.0000659100000000, -0.0000727400000000, 0.0000839500000000 ] - [ 0.0022164100000000, -0.0109785300000000, 0.0048433400000000 ] - [ 0.0000550400000000, 0.0002040500000000, 0.0003583000000000 ] - [ -0.0036665500000000, -0.0157378600000000, -0.0067027300000000 ] - [ -0.0000609600000000, -0.0004654100000000, -0.0003791600000000 ] - [ 0.0000522500000000, 0.0005617600000000, 0.0003679600000000 ] - [ -0.0010941000000000, 0.0026996800000000, -0.0000601700000000 ] - [ 0.0000191200000000, -0.0006670200000000, -0.0001435200000000 ] - [ 0.0004189600000000, -0.0008293300000000, -0.0000780500000000 ] - [ 0.0014533400000000, 0.0058875700000000, -0.0000520300000000 ] - [ -0.0004159400000000, 0.0011907700000000, -0.0004808300000000 ] - [ -0.0004403300000000, -0.0018068500000000, 0.0002088800000000 ] - [ 0.0000807300000000, -0.0008364700000000, 0.0002361700000000 ] - [ 0.0008530800000000, -0.0058663500000000, -0.0077214900000000 ] - [ -0.0000071600000000, -0.0005918300000000, -0.0001277200000000 ] - [ -0.0004554200000000, 0.0016190500000000, -0.0004882200000000 ] - [ -0.0000838600000000, 0.0005961500000000, -0.0000578500000000 ] - [ 0.0010545500000000, -0.0014631700000000, -0.0006204000000000 ] - [ -0.0003231600000000, -0.0015197800000000, -0.0000382200000000 ] - [ -0.0003300800000000, 0.0008880000000000, 0.0001176200000000 ] - [ 0.0000412100000000, 0.0007676600000000, 0.0000448000000000 ] - [ 0.0001508000000000, 0.0002958800000000, 0.0001817600000000 ] - [ -0.0000390700000000, 0.0001979600000000, -0.0000524100000000 ] - [ -0.0000518000000000, -0.0002573200000000, -0.0002293300000000 ] - [ -0.0000632000000000, -0.0001686300000000, 0.0000653200000000 ] - [ 0.0024302900000000, 0.0045276600000000, -0.0005613800000000 ] - [ -0.0010276700000000, 0.0004294200000000, -0.0003666300000000 ] - [ 0.0044885100000000, -0.0144662100000000, -0.0024169800000000 ] - [ 0.0012970400000000, -0.0000267100000000, -0.0000486000000000 ] - [ -0.0041180500000000, 0.0047441600000000, 0.0017685500000000 ] - [ 0.0008104600000000, -0.0002914400000000, 0.0004992600000000 ] - [ 0.0032746600000000, 0.0045047500000000, -0.0018016900000000 ] - [ -0.0011318000000000, 0.0006593400000000, -0.0005960400000000 ] - [ 0.0001519600000000, 0.0002771600000000, -0.0007079400000000 ] - [ 0.0000380100000000, -0.0000624400000000, 0.0000711800000000 ] - [ 0.0000070700000000, 0.0000101000000000, 0.0005208500000000 ] - [ 0.0000468800000000, 0.0000975500000000, 0.0000641900000000 ] - [ 0.0000228000000000, -0.0041863800000000, -0.0010634900000000 ] - [ -0.0005238400000000, -0.0041688300000000, -0.0010955400000000 ] - [ -0.0000094800000000, 0.0026068400000000, 0.0003810700000000 ] - [ 0.0003392900000000, 0.0014396300000000, 0.0006224500000000 ] - [ -0.0002867100000000, -0.0019368200000000, -0.0004645600000000 ] - [ 0.0000772800000000, -0.0005767700000000, -0.0000786800000000 ] - [ 0.0000504100000000, 0.0009105600000000, 0.0002337100000000 ] - [ 0.0000222500000000, 0.0004587600000000, 0.0000638200000000 ] - [ -0.0007576900000000, -0.0006409000000000, 0.0006466300000000 ] - [ 0.0004406400000000, -0.0004433500000000, 0.0001883600000000 ] - [ 0.0003849100000000, 0.0006580000000000, -0.0004329600000000 ] - [ -0.0001156700000000, 0.0004854600000000, -0.0001036500000000 ] - [ 0.0009118300000000, -0.0087628100000000, 0.0046926700000000 ] - [ 0.0001202500000000, -0.0006161300000000, -0.0002445500000000 ] - [ 0.0004586100000000, 0.0027156900000000, 0.0017066900000000 ] - [ 0.0000215000000000, 0.0007021200000000, 0.0003723800000000 ] - [ 0.0000510700000000, -0.0005274700000000, -0.0000263900000000 ] - [ 0.0000702900000000, -0.0008575700000000, -0.0003775900000000 ] - [ -0.0001181300000000, 0.0005922100000000, -0.0001077900000000 ] - [ -0.0000067500000000, 0.0005547400000000, 0.0000977700000000 ] - [ -0.0032853300000000, -0.0083698100000000, -0.0029356500000000 ] - [ -0.0012894400000000, -0.0010310200000000, 0.0008444700000000 ] - [ -0.0006639600000000, 0.0023761800000000, -0.0014046800000000 ] - [ 0.0005851500000000, 0.0007270200000000, -0.0005728900000000 ]- atom: 1 displacement: [ -0.0039331809669210, 0.0000000000000000, 0.0091940245530154 ] forces: - [ 0.0114226500000000, -0.0135285000000000, -0.0685531000000000 ] - [ -0.0007955200000000, -0.0000330000000000, -0.0007785700000000 ] - [ 0.0003099800000000, 0.0000998100000000, -0.0003885700000000 ] - [ -0.0001787700000000, 0.0000352800000000, -0.0001179700000000 ] - [ -0.0003734900000000, 0.0000671900000000, 0.0012737800000000 ] - [ 0.0003322300000000, 0.0000386100000000, 0.0006228200000000 ] - [ -0.0001098700000000, -0.0000135800000000, 0.0002496900000000 ] - [ 0.0000628100000000, 0.0000059000000000, 0.0001358500000000 ] - [ -0.0023571600000000, -0.0038692700000000, 0.0059495700000000 ] - [ -0.0000260800000000, -0.0002200800000000, 0.0000019100000000 ] - [ -0.0000428500000000, 0.0005879200000000, 0.0002557400000000 ] - [ -0.0000262900000000, 0.0001314900000000, -0.0000363100000000 ] - [ -0.0023303700000000, 0.0045301400000000, 0.0060482400000000 ] - [ 0.0002051500000000, 0.0001363600000000, 0.0000991100000000 ] - [ -0.0001648700000000, -0.0006462700000000, 0.0002019500000000 ] - [ 0.0000236500000000, -0.0001148400000000, -0.0000156500000000 ] - [ -0.0004881400000000, 0.0004869700000000, 0.0000718100000000 ] - [ 0.0011593500000000, 0.0015282700000000, -0.0000186900000000 ] - [ -0.0005044000000000, -0.0005141700000000, 0.0000651100000000 ] - [ 0.0013236700000000, -0.0019190600000000, 0.0000577000000000 ] - [ 0.0004235800000000, -0.0004665200000000, 0.0004072300000000 ] - [ -0.0003661700000000, -0.0004279100000000, 0.0003281200000000 ] - [ 0.0003450700000000, 0.0004392700000000, 0.0003738200000000 ] - [ -0.0002912400000000, 0.0003413400000000, 0.0003595700000000 ] - [ -0.0000151400000000, -0.0000382100000000, 0.0007281200000000 ] - [ 0.0000887900000000, 0.0002645600000000, 0.0013160300000000 ] - [ -0.0000190000000000, -0.0000097100000000, 0.0001975000000000 ] - [ 0.0000427500000000, -0.0001462800000000, 0.0002024800000000 ] - [ -0.0001317000000000, 0.0003121600000000, -0.0021469500000000 ] - [ -0.0075429500000000, -0.0055097900000000, -0.0011951000000000 ] - [ 0.0000676000000000, 0.0000842000000000, -0.0004319900000000 ] - [ -0.0001555500000000, 0.0002929800000000, -0.0001104900000000 ] - [ -0.0102474600000000, 0.0101353700000000, 0.0108492200000000 ] - [ -0.0002768400000000, 0.0003029600000000, -0.0006550800000000 ] - [ 0.0000534900000000, -0.0006490100000000, 0.0006096600000000 ] - [ -0.0001025500000000, 0.0001319300000000, -0.0003203300000000 ] - [ -0.0001092200000000, -0.0016806000000000, 0.0042304100000000 ] - [ 0.0004239600000000, -0.0003279800000000, 0.0004462900000000 ] - [ -0.0000944200000000, 0.0002486700000000, 0.0002990000000000 ] - [ 0.0000626400000000, -0.0000522200000000, 0.0002035400000000 ] - [ -0.0027847200000000, -0.0039484000000000, -0.0060395000000000 ] - [ -0.0032767700000000, 0.0013225500000000, -0.0026557800000000 ] - [ -0.0006144400000000, 0.0010682500000000, -0.0013356900000000 ] - [ -0.0005358800000000, -0.0001541600000000, -0.0004263500000000 ] - [ -0.0002029600000000, 0.0008446800000000, 0.0015911100000000 ] - [ -0.0001202300000000, 0.0000770000000000, 0.0012946700000000 ] - [ 0.0001757600000000, -0.0002959100000000, 0.0006190400000000 ] - [ 0.0001146000000000, 0.0000329100000000, 0.0003933000000000 ] - [ -0.0004843200000000, 0.0006412400000000, 0.0014718300000000 ] - [ 0.0001726900000000, 0.0003756800000000, 0.0007116300000000 ] - [ -0.0004080100000000, -0.0003755700000000, 0.0008295500000000 ] - [ 0.0006065900000000, -0.0006229600000000, 0.0004720100000000 ] - [ 0.0023031900000000, -0.0034043700000000, -0.0043646900000000 ] - [ -0.0004946900000000, -0.0003253800000000, -0.0005126600000000 ] - [ 0.0026226900000000, 0.0045710400000000, -0.0032060700000000 ] - [ -0.0008133300000000, 0.0004360300000000, -0.0004053800000000 ] - [ -0.0018662500000000, 0.0001127700000000, 0.0024119900000000 ] - [ 0.0065419400000000, -0.0002354600000000, 0.0040378500000000 ] - [ -0.0002955600000000, -0.0000611400000000, 0.0001395500000000 ] - [ 0.0003379400000000, 0.0000022300000000, -0.0002405200000000 ] - [ 0.0062154000000000, 0.0002200100000000, 0.0064837900000000 ] - [ -0.0022839000000000, 0.0003958300000000, 0.0001216800000000 ] - [ 0.0002714600000000, 0.0001578000000000, 0.0001615200000000 ] - [ -0.0002198500000000, -0.0000185100000000, 0.0001474300000000 ] - [ -0.0016674400000000, 0.0068907200000000, 0.0245536200000000 ] - [ 0.0013858700000000, -0.0004075900000000, -0.0003685300000000 ] - [ -0.0004231000000000, 0.0002124600000000, 0.0000240700000000 ] - [ 0.0003123400000000, -0.0000560400000000, 0.0000669800000000 ] - [ 0.0027547000000000, 0.0007100000000000, -0.0029215600000000 ] - [ -0.0017184700000000, 0.0003150600000000, -0.0005984400000000 ] - [ 0.0002361400000000, -0.0001152400000000, -0.0002001200000000 ] - [ -0.0002594700000000, -0.0000395100000000, -0.0000996400000000 ] - [ 0.0000884300000000, -0.0002477900000000, -0.0008189100000000 ] - [ -0.0003390200000000, -0.0000779900000000, -0.0005344700000000 ] - [ 0.0002400300000000, 0.0002592600000000, -0.0011295100000000 ] - [ -0.0005226500000000, -0.0001961600000000, -0.0007096900000000 ] - [ 0.0000426600000000, 0.0014000200000000, 0.0015944900000000 ] - [ 0.0006869900000000, -0.0001257400000000, 0.0006714300000000 ] - [ -0.0033251300000000, 0.0041433600000000, 0.0045179400000000 ] - [ 0.0006398800000000, 0.0005886500000000, 0.0015034500000000 ] - [ 0.0008038300000000, -0.0040354700000000, 0.0029369200000000 ] - [ 0.0004092300000000, -0.0001835400000000, 0.0008782000000000 ] - [ 0.0000102100000000, 0.0022350200000000, 0.0021324400000000 ] - [ 0.0006065400000000, -0.0002392000000000, 0.0006961400000000 ] - [ 0.0002339100000000, 0.0009355200000000, -0.0017985900000000 ] - [ -0.0001223400000000, 0.0002395500000000, -0.0006378800000000 ] - [ 0.0002551200000000, -0.0002886200000000, -0.0009863400000000 ] - [ -0.0000958700000000, 0.0002043800000000, -0.0005914100000000 ] - [ 0.0054387700000000, 0.0009782000000000, 0.0002281200000000 ] - [ -0.0018156400000000, 0.0006503600000000, 0.0035331900000000 ] - [ 0.0003291200000000, -0.0001354200000000, 0.0000159200000000 ] - [ 0.0000683600000000, 0.0000985900000000, 0.0004364000000000 ] - [ -0.0004879800000000, -0.0007614200000000, -0.0027659700000000 ] - [ 0.0005343200000000, -0.0004233100000000, -0.0011680900000000 ] - [ -0.0001139200000000, -0.0000435800000000, -0.0003512000000000 ] - [ 0.0000108500000000, -0.0000683900000000, -0.0003362300000000 ] - [ 0.0014799600000000, -0.0012771700000000, -0.0023650000000000 ] - [ -0.0012980500000000, -0.0005437500000000, -0.0005788900000000 ] - [ 0.0002357900000000, 0.0002216500000000, -0.0003743700000000 ] - [ -0.0002439900000000, 0.0001597800000000, 0.0001116200000000 ] - [ -0.0000108200000000, -0.0035322200000000, 0.0090312000000000 ] - [ 0.0007647500000000, 0.0004238400000000, 0.0003909300000000 ] - [ -0.0003267700000000, -0.0008489100000000, -0.0000060100000000 ] - [ 0.0003068800000000, -0.0000937300000000, 0.0000309500000000 ] - [ 0.0007980400000000, 0.0005345100000000, -0.0018150400000000 ] - [ -0.0012485300000000, 0.0011721400000000, -0.0016866200000000 ] - [ 0.0002815800000000, -0.0000818500000000, -0.0006501900000000 ] - [ -0.0002037700000000, -0.0002176700000000, -0.0003591100000000 ] - [ -0.0002692200000000, 0.0009456400000000, 0.0062201300000000 ] - [ 0.0014399700000000, -0.0007315100000000, 0.0004856500000000 ] - [ -0.0007615600000000, 0.0004620800000000, 0.0011399600000000 ] - [ 0.0003008400000000, 0.0001404900000000, 0.0001362500000000 ]- atom: 1 displacement: [ 0.0039331809669210, 0.0000000000000000, -0.0091940245530154 ] forces: - [ -0.0116425900000000, 0.0143471000000000, 0.0698271900000000 ] - [ 0.0007686400000000, 0.0000448800000000, 0.0007850200000000 ] - [ -0.0003394100000000, -0.0000847500000000, 0.0003964900000000 ] - [ 0.0001489000000000, -0.0000209200000000, 0.0001238600000000 ] - [ 0.0003413100000000, -0.0000544700000000, -0.0012619000000000 ] - [ -0.0003609800000000, -0.0000265200000000, -0.0006158000000000 ] - [ 0.0000796100000000, 0.0000279100000000, -0.0002415800000000 ] - [ -0.0000920500000000, 0.0000083500000000, -0.0001273300000000 ] - [ 0.0023572400000000, 0.0039086800000000, -0.0060187000000000 ] - [ 0.0000005200000000, 0.0002007800000000, 0.0000111100000000 ] - [ 0.0000114200000000, -0.0006053400000000, -0.0002486300000000 ] - [ -0.0000045600000000, -0.0001483300000000, 0.0000432100000000 ] - [ 0.0022728300000000, -0.0044758500000000, -0.0059672000000000 ] - [ -0.0002382200000000, -0.0001533300000000, -0.0000923500000000 ] - [ 0.0001387300000000, 0.0006268800000000, -0.0001947700000000 ] - [ -0.0000545200000000, 0.0000957200000000, 0.0000222200000000 ] - [ 0.0005191300000000, -0.0004722900000000, -0.0000780500000000 ] - [ -0.0011287300000000, -0.0015039600000000, 0.0000171100000000 ] - [ 0.0005356700000000, 0.0005351900000000, -0.0000706600000000 ] - [ -0.0013013100000000, 0.0019404200000000, -0.0000510900000000 ] - [ -0.0003943900000000, 0.0004829500000000, -0.0004177800000000 ] - [ 0.0003924000000000, 0.0004411300000000, -0.0003342500000000 ] - [ -0.0003135100000000, -0.0004198900000000, -0.0003825700000000 ] - [ 0.0003193900000000, -0.0003208500000000, -0.0003659000000000 ] - [ 0.0000465800000000, 0.0000230600000000, -0.0007343200000000 ] - [ -0.0000613700000000, -0.0002817700000000, -0.0013275800000000 ] - [ 0.0000503200000000, -0.0000009700000000, -0.0002039800000000 ] - [ -0.0000144300000000, 0.0001338200000000, -0.0002101000000000 ] - [ 0.0001404200000000, -0.0003162900000000, 0.0021411000000000 ] - [ 0.0075346700000000, 0.0054529500000000, 0.0011326500000000 ] - [ -0.0000391700000000, -0.0000991800000000, 0.0004252700000000 ] - [ 0.0001854800000000, -0.0003095900000000, 0.0001017800000000 ] - [ 0.0103763000000000, -0.0102886000000000, -0.0110161000000000 ] - [ 0.0002696700000000, -0.0002638000000000, 0.0006670700000000 ] - [ -0.0000704200000000, 0.0006818300000000, -0.0005978500000000 ] - [ 0.0000865300000000, -0.0001019500000000, 0.0003325700000000 ] - [ 0.0001195300000000, 0.0016722600000000, -0.0041967600000000 ] - [ -0.0004455700000000, 0.0003587600000000, -0.0004377200000000 ] - [ 0.0000796500000000, -0.0002123100000000, -0.0002963100000000 ] - [ -0.0000811000000000, 0.0000850000000000, -0.0001943300000000 ] - [ 0.0027760000000000, 0.0039809200000000, 0.0060702100000000 ] - [ 0.0033164300000000, -0.0012861800000000, 0.0026187600000000 ] - [ 0.0006265700000000, -0.0010371600000000, 0.0013299100000000 ] - [ 0.0005553400000000, 0.0001866900000000, 0.0004187100000000 ] - [ 0.0002212400000000, -0.0008060900000000, -0.0015955800000000 ] - [ 0.0001334200000000, -0.0000448500000000, -0.0013041200000000 ] - [ -0.0001590100000000, 0.0003244700000000, -0.0006284200000000 ] - [ -0.0001017800000000, -0.0000013700000000, -0.0003995600000000 ] - [ 0.0004680000000000, -0.0006779800000000, -0.0014644100000000 ] - [ -0.0001873400000000, -0.0004070100000000, -0.0007001900000000 ] - [ 0.0003923400000000, 0.0003481100000000, -0.0008199600000000 ] - [ -0.0006221200000000, 0.0005944600000000, -0.0004628600000000 ] - [ -0.0023221400000000, 0.0034109200000000, 0.0043625700000000 ] - [ 0.0004792700000000, 0.0002903300000000, 0.0005194100000000 ] - [ -0.0026495000000000, -0.0046618600000000, 0.0031725900000000 ] - [ 0.0007984200000000, -0.0004634800000000, 0.0004064900000000 ] - [ 0.0018927000000000, -0.0001476200000000, -0.0024212700000000 ] - [ -0.0065509400000000, 0.0001804300000000, -0.0040604800000000 ] - [ 0.0003124400000000, 0.0000299500000000, -0.0001456700000000 ] - [ -0.0003207500000000, -0.0000324000000000, 0.0002315900000000 ] - [ -0.0061204000000000, -0.0002669300000000, -0.0064604300000000 ] - [ 0.0022757400000000, -0.0004217200000000, -0.0001326600000000 ] - [ -0.0002575600000000, -0.0001885700000000, -0.0001721000000000 ] - [ 0.0002368000000000, -0.0000132000000000, -0.0001555200000000 ] - [ 0.0015911200000000, -0.0073509200000000, -0.0258198500000000 ] - [ -0.0013973900000000, 0.0004088500000000, 0.0003671100000000 ] - [ 0.0004244000000000, -0.0002125600000000, -0.0000268000000000 ] - [ -0.0003144000000000, 0.0000544900000000, -0.0000681100000000 ] - [ -0.0027272800000000, -0.0006926200000000, 0.0028909500000000 ] - [ 0.0017214400000000, -0.0003150600000000, 0.0006039000000000 ] - [ -0.0002379500000000, 0.0001166600000000, 0.0002032000000000 ] - [ 0.0002609200000000, 0.0000396700000000, 0.0001025100000000 ] - [ -0.0000857900000000, 0.0002470400000000, 0.0008166500000000 ] - [ 0.0003368400000000, 0.0000768800000000, 0.0005339600000000 ] - [ -0.0002387000000000, -0.0002623500000000, 0.0011326400000000 ] - [ 0.0005191000000000, 0.0001931600000000, 0.0007066700000000 ] - [ -0.0000489100000000, -0.0014076700000000, -0.0015880700000000 ] - [ -0.0006852000000000, 0.0001268000000000, -0.0006690500000000 ] - [ 0.0032972500000000, -0.0040556100000000, -0.0045415000000000 ] - [ -0.0006388700000000, -0.0005937100000000, -0.0015094200000000 ] - [ -0.0007698200000000, 0.0040297300000000, -0.0028867100000000 ] - [ -0.0003849200000000, 0.0001661100000000, -0.0008024200000000 ] - [ 0.0000268700000000, -0.0022532900000000, -0.0020813400000000 ] - [ -0.0005867700000000, 0.0002263400000000, -0.0006230500000000 ] - [ -0.0002151400000000, -0.0009447400000000, 0.0018737600000000 ] - [ 0.0001510600000000, -0.0002570500000000, 0.0007078200000000 ] - [ -0.0002289800000000, 0.0002645500000000, 0.0010583200000000 ] - [ 0.0001251700000000, -0.0002222900000000, 0.0006656700000000 ] - [ -0.0054425900000000, -0.0010042600000000, -0.0003702400000000 ] - [ 0.0017743600000000, -0.0006684400000000, -0.0036172200000000 ] - [ -0.0003560200000000, 0.0001177900000000, -0.0000887100000000 ] - [ -0.0000973900000000, -0.0001153600000000, -0.0005077200000000 ] - [ 0.0004461600000000, 0.0007492800000000, 0.0026835400000000 ] - [ -0.0005536000000000, 0.0004068800000000, 0.0010925000000000 ] - [ 0.0000832600000000, 0.0000285600000000, 0.0002818900000000 ] - [ -0.0000381900000000, 0.0000515600000000, 0.0002655900000000 ] - [ -0.0014535300000000, 0.0013030300000000, 0.0024451600000000 ] - [ 0.0013201500000000, 0.0005583900000000, 0.0006496000000000 ] - [ -0.0002084300000000, -0.0002089500000000, 0.0004436800000000 ] - [ 0.0002708900000000, -0.0001457200000000, -0.0000430200000000 ] - [ 0.0001417500000000, 0.0032623600000000, -0.0086225800000000 ] - [ -0.0007296900000000, -0.0004046300000000, -0.0003150100000000 ] - [ 0.0003549100000000, 0.0008719900000000, 0.0000847700000000 ] - [ -0.0002796400000000, 0.0001093700000000, 0.0000409800000000 ] - [ -0.0008296600000000, -0.0005197100000000, 0.0017435200000000 ] - [ 0.0012274200000000, -0.0011524300000000, 0.0016172800000000 ] - [ -0.0003108800000000, 0.0000985000000000, 0.0005768400000000 ] - [ 0.0001756900000000, 0.0002318400000000, 0.0002862000000000 ] - [ 0.0002819000000000, -0.0009135400000000, -0.0062776400000000 ] - [ -0.0014623000000000, 0.0007364000000000, -0.0005461200000000 ] - [ 0.0007359300000000, -0.0004493000000000, -0.0012150200000000 ] - [ -0.0003303200000000, -0.0001225900000000, -0.0002051900000000 ]- atom: 33 displacement: [ 0.0099999624241954, 0.0000000000000000, -0.0000274137680657 ] forces: - [ 0.0010815200000000, -0.0066728100000000, -0.0107459800000000 ] - [ 0.0029990100000000, 0.0001990300000000, 0.0010003400000000 ] - [ -0.0004195800000000, 0.0003216000000000, -0.0001066100000000 ] - [ 0.0003605700000000, 0.0000406100000000, 0.0000620700000000 ] - [ -0.0021293600000000, 0.0010624600000000, -0.0010342600000000 ] - [ 0.0012033000000000, 0.0000182000000000, 0.0009936600000000 ] - [ -0.0004098000000000, -0.0003518000000000, -0.0002607900000000 ] - [ 0.0003314500000000, 0.0000117800000000, 0.0002285100000000 ] - [ -0.0063984700000000, -0.0037084400000000, 0.0001492900000000 ] - [ 0.0020524100000000, -0.0000615300000000, 0.0000136000000000 ] - [ -0.0033526900000000, 0.0021956800000000, 0.0011067800000000 ] - [ 0.0012486700000000, 0.0000499600000000, 0.0000146500000000 ] - [ -0.0003119400000000, -0.0000434100000000, -0.0005616500000000 ] - [ 0.0004102400000000, 0.0000648400000000, 0.0008513300000000 ] - [ -0.0001073200000000, -0.0000568100000000, -0.0005588900000000 ] - [ 0.0000399000000000, -0.0000046700000000, 0.0002203800000000 ] - [ 0.0093900500000000, -0.0079905000000000, 0.0009701000000000 ] - [ 0.0064779900000000, 0.0066230700000000, -0.0007985500000000 ] - [ 0.0009957000000000, 0.0016813500000000, -0.0002509600000000 ] - [ 0.0002032400000000, -0.0022676600000000, -0.0005140100000000 ] - [ 0.0003516600000000, -0.0000307800000000, -0.0000966500000000 ] - [ -0.0004705800000000, -0.0000316900000000, -0.0003530700000000 ] - [ 0.0002430000000000, 0.0001491500000000, 0.0002749600000000 ] - [ -0.0001835900000000, -0.0000950800000000, 0.0000283000000000 ] - [ 0.0027981700000000, -0.0000541000000000, -0.0008651800000000 ] - [ -0.0010882700000000, 0.0011090400000000, 0.0066182400000000 ] - [ 0.0005533400000000, -0.0000161800000000, -0.0001032900000000 ] - [ -0.0004789100000000, -0.0004197700000000, 0.0001442500000000 ] - [ 0.0005724100000000, -0.0014656400000000, 0.0069486600000000 ] - [ 0.0013297200000000, 0.0004176300000000, -0.0019159200000000 ] - [ -0.0000325600000000, 0.0004412100000000, 0.0002636000000000 ] - [ 0.0000876700000000, -0.0000804100000000, -0.0002209500000000 ] - [ -0.1629418000000000, 0.0193425200000000, 0.0057737000000000 ] - [ 0.0064293600000000, 0.0001748400000000, -0.0000696900000000 ] - [ -0.0008886700000000, 0.0006505800000000, -0.0004890400000000 ] - [ 0.0011061800000000, -0.0000761500000000, -0.0000633900000000 ] - [ 0.0003056000000000, 0.0006108600000000, -0.0020347400000000 ] - [ 0.0005857500000000, 0.0000254300000000, 0.0011501200000000 ] - [ -0.0002445800000000, 0.0000923700000000, -0.0004150000000000 ] - [ 0.0000503500000000, -0.0003799100000000, 0.0006754100000000 ] - [ -0.0017948000000000, 0.0071999600000000, 0.0064859000000000 ] - [ 0.0011115800000000, -0.0021415800000000, -0.0018952500000000 ] - [ -0.0018590600000000, 0.0009851900000000, 0.0005605300000000 ] - [ 0.0011171400000000, 0.0003872200000000, -0.0003957700000000 ] - [ 0.0018951300000000, 0.0008839000000000, -0.0014838100000000 ] - [ -0.0016737500000000, -0.0014517000000000, 0.0030237000000000 ] - [ 0.0018955300000000, -0.0005459100000000, -0.0006202100000000 ] - [ -0.0016811300000000, 0.0003357200000000, 0.0007150900000000 ] - [ -0.0006527000000000, -0.0089153200000000, -0.0062105500000000 ] - [ 0.0012089800000000, 0.0019646100000000, 0.0021324500000000 ] - [ -0.0022613800000000, 0.0011046200000000, -0.0012508500000000 ] - [ 0.0021940800000000, -0.0021512700000000, 0.0014403700000000 ] - [ -0.0006238700000000, 0.0026067700000000, -0.0020580200000000 ] - [ 0.0012042600000000, -0.0001197000000000, -0.0000270000000000 ] - [ -0.0022567300000000, -0.0002810100000000, -0.0002419300000000 ] - [ 0.0021879800000000, 0.0003060300000000, 0.0002576500000000 ] - [ 0.0232654200000000, 0.0151478100000000, -0.0100851300000000 ] - [ 0.0169957900000000, -0.0041765400000000, 0.0033028300000000 ] - [ 0.0000524400000000, -0.0011171000000000, 0.0010564200000000 ] - [ -0.0002472200000000, 0.0005515200000000, -0.0004456600000000 ] - [ -0.0002901000000000, -0.0011508000000000, 0.0000521700000000 ] - [ -0.0005609300000000, 0.0005098300000000, 0.0003398900000000 ] - [ 0.0002433500000000, 0.0001470400000000, -0.0003564800000000 ] - [ -0.0000694100000000, 0.0001805100000000, -0.0000053800000000 ] - [ 0.0595463300000000, -0.0122580300000000, 0.0082796400000000 ] - [ -0.0094565000000000, 0.0001855700000000, -0.0000982700000000 ] - [ 0.0011645100000000, -0.0003811400000000, 0.0003505500000000 ] - [ -0.0011743100000000, 0.0003252600000000, -0.0003553700000000 ] - [ 0.0005247900000000, -0.0004137400000000, 0.0012048200000000 ] - [ -0.0004940200000000, 0.0003596500000000, -0.0010787900000000 ] - [ 0.0002659700000000, -0.0000050400000000, 0.0003106300000000 ] - [ -0.0002452200000000, 0.0000068700000000, -0.0002907400000000 ] - [ 0.0047853900000000, 0.0020218600000000, 0.0005385600000000 ] - [ -0.0023266500000000, -0.0007009600000000, -0.0005649200000000 ] - [ 0.0026722500000000, 0.0008662100000000, -0.0005738400000000 ] - [ -0.0026349500000000, -0.0001604800000000, -0.0003921700000000 ] - [ 0.0003584300000000, -0.0015828600000000, 0.0014409900000000 ] - [ 0.0005244000000000, 0.0010208000000000, -0.0008588500000000 ] - [ 0.0005916300000000, 0.0018967800000000, 0.0017385600000000 ] - [ -0.0030661900000000, -0.0030261700000000, -0.0023700600000000 ] - [ 0.0267076300000000, -0.0022164200000000, -0.0010477100000000 ] - [ -0.0022897900000000, -0.0003335700000000, 0.0004472400000000 ] - [ 0.0031099800000000, -0.0029052700000000, -0.0000093600000000 ] - [ -0.0015196400000000, 0.0006870900000000, 0.0003485000000000 ] - [ -0.0017417700000000, 0.0015739700000000, 0.0036946000000000 ] - [ 0.0000567900000000, -0.0005650500000000, -0.0012784700000000 ] - [ 0.0002334500000000, -0.0006486700000000, 0.0009708200000000 ] - [ -0.0000760500000000, 0.0011565800000000, -0.0016011700000000 ] - [ 0.0190789900000000, -0.0077862300000000, -0.0052321400000000 ] - [ -0.0079879300000000, 0.0016860400000000, 0.0027485100000000 ] - [ 0.0007178900000000, -0.0006728000000000, -0.0005969700000000 ] - [ -0.0005313600000000, -0.0003673800000000, 0.0000947400000000 ] - [ -0.0006630900000000, 0.0000310700000000, 0.0009662200000000 ] - [ 0.0004800600000000, -0.0002206300000000, -0.0018688800000000 ] - [ -0.0005606700000000, 0.0003800800000000, 0.0005853200000000 ] - [ 0.0004927700000000, 0.0001219400000000, -0.0002560700000000 ] - [ 0.0269346800000000, -0.0003325400000000, -0.0019271300000000 ] - [ -0.0078429300000000, -0.0024119700000000, -0.0021554500000000 ] - [ 0.0008432200000000, -0.0001924800000000, 0.0000898700000000 ] - [ -0.0008067100000000, 0.0007783500000000, 0.0002198900000000 ] - [ 0.0005244900000000, 0.0001329700000000, 0.0021788300000000 ] - [ -0.0005078400000000, -0.0000656300000000, -0.0006274200000000 ] - [ 0.0004880700000000, -0.0001508300000000, 0.0002270700000000 ] - [ -0.0004917500000000, -0.0003204300000000, -0.0005069800000000 ] - [ -0.0018494000000000, -0.0043733300000000, 0.0037600700000000 ] - [ -0.0044158400000000, 0.0064935700000000, -0.0056398100000000 ] - [ -0.0013979500000000, 0.0033734000000000, 0.0007424200000000 ] - [ -0.0000308100000000, -0.0014275500000000, -0.0011723600000000 ] - [ 0.0023573900000000, -0.0007118900000000, -0.0021350800000000 ] - [ -0.0010208800000000, 0.0003200700000000, 0.0004605600000000 ] - [ 0.0000133000000000, -0.0008346900000000, 0.0005990800000000 ] - [ -0.0004898800000000, -0.0000870700000000, 0.0003202100000000 ]- atom: 33 displacement: [ -0.0099999624241954, 0.0000000000000000, 0.0000274137680657 ] forces: - [ -0.0010754600000000, 0.0067307800000000, 0.0108246300000000 ] - [ -0.0030287800000000, -0.0001760600000000, -0.0009862500000000 ] - [ 0.0004007700000000, -0.0002964900000000, 0.0001125800000000 ] - [ -0.0003917800000000, -0.0000264900000000, -0.0000567100000000 ] - [ 0.0021055400000000, -0.0010495000000000, 0.0010487700000000 ] - [ -0.0012349300000000, -0.0000022200000000, -0.0009939800000000 ] - [ 0.0003831600000000, 0.0003685800000000, 0.0002689800000000 ] - [ -0.0003602200000000, 0.0000030000000000, -0.0002231800000000 ] - [ 0.0064116200000000, 0.0036095300000000, -0.0001247200000000 ] - [ -0.0020818400000000, 0.0000468000000000, -0.0000054900000000 ] - [ 0.0033483400000000, -0.0021783300000000, -0.0010860600000000 ] - [ -0.0012798200000000, -0.0000735100000000, -0.0000106400000000 ] - [ 0.0002854000000000, 0.0000224100000000, 0.0005688400000000 ] - [ -0.0004395400000000, -0.0000831000000000, -0.0008467300000000 ] - [ 0.0000840300000000, 0.0000380200000000, 0.0005671800000000 ] - [ -0.0000714900000000, -0.0000166100000000, -0.0002156600000000 ] - [ -0.0092338800000000, 0.0078727300000000, -0.0009839400000000 ] - [ -0.0065286500000000, -0.0066840500000000, 0.0007950000000000 ] - [ -0.0009720200000000, -0.0016652300000000, 0.0002477400000000 ] - [ -0.0001756800000000, 0.0022967600000000, 0.0005097600000000 ] - [ -0.0003265700000000, 0.0000486200000000, 0.0000831300000000 ] - [ 0.0005010200000000, 0.0000517700000000, 0.0003471500000000 ] - [ -0.0002146100000000, -0.0001294600000000, -0.0002820300000000 ] - [ 0.0002127300000000, 0.0001140000000000, -0.0000336700000000 ] - [ -0.0027787300000000, 0.0000383100000000, 0.0008485300000000 ] - [ 0.0011348500000000, -0.0011225100000000, -0.0066452300000000 ] - [ -0.0005261900000000, 0.0000026600000000, 0.0000962700000000 ] - [ 0.0005082100000000, 0.0004045100000000, -0.0001509600000000 ] - [ -0.0005778200000000, 0.0014545000000000, -0.0069208800000000 ] - [ -0.0013054600000000, -0.0004331000000000, 0.0019205400000000 ] - [ 0.0000608000000000, -0.0004562500000000, -0.0002708400000000 ] - [ -0.0000604100000000, 0.0000632500000000, 0.0002151200000000 ] - [ 0.1662711700000000, -0.0218315300000000, -0.0036320700000000 ] - [ -0.0064433400000000, -0.0001511700000000, 0.0000855100000000 ] - [ 0.0008783300000000, -0.0006121700000000, 0.0004971500000000 ] - [ -0.0011251000000000, 0.0001072300000000, 0.0000721500000000 ] - [ -0.0003169000000000, -0.0005859600000000, 0.0020456200000000 ] - [ -0.0006044800000000, 0.0000081800000000, -0.0011463300000000 ] - [ 0.0002317200000000, -0.0000588800000000, 0.0004233200000000 ] - [ -0.0000684300000000, 0.0004119400000000, -0.0006689000000000 ] - [ 0.0018484500000000, -0.0071757400000000, -0.0065038300000000 ] - [ -0.0010989800000000, 0.0021824800000000, 0.0018950800000000 ] - [ 0.0018169200000000, -0.0009510600000000, -0.0005725600000000 ] - [ -0.0011012300000000, -0.0003606500000000, 0.0003924500000000 ] - [ -0.0018840500000000, -0.0008553100000000, 0.0014734400000000 ] - [ 0.0016955000000000, 0.0014885300000000, -0.0030412500000000 ] - [ -0.0018882600000000, 0.0005788200000000, 0.0006059900000000 ] - [ 0.0017007600000000, -0.0003062300000000, -0.0007264500000000 ] - [ 0.0006611400000000, 0.0088984600000000, 0.0062189900000000 ] - [ -0.0012282500000000, -0.0020080700000000, -0.0021352500000000 ] - [ 0.0022477500000000, -0.0011350200000000, 0.0012627600000000 ] - [ -0.0022140400000000, 0.0021277500000000, -0.0014382400000000 ] - [ 0.0006669900000000, -0.0026405300000000, 0.0020567600000000 ] - [ -0.0012212400000000, 0.0000862200000000, 0.0000443400000000 ] - [ 0.0022468900000000, 0.0002516800000000, 0.0002541800000000 ] - [ -0.0022130000000000, -0.0003375100000000, -0.0002508300000000 ] - [ -0.0230290500000000, -0.0149091000000000, 0.0099006600000000 ] - [ -0.0170912100000000, 0.0041969700000000, -0.0033433800000000 ] - [ -0.0000439300000000, 0.0010856800000000, -0.0010597500000000 ] - [ 0.0002685300000000, -0.0005864700000000, 0.0004388700000000 ] - [ 0.0003016500000000, 0.0011152500000000, -0.0000638800000000 ] - [ 0.0005796000000000, -0.0005420900000000, -0.0003469700000000 ] - [ -0.0002285500000000, -0.0001670300000000, 0.0003422000000000 ] - [ 0.0000850500000000, -0.0002142100000000, -0.0000018300000000 ] - [ -0.0644392900000000, 0.0141314900000000, -0.0094883300000000 ] - [ 0.0094429700000000, -0.0002010800000000, 0.0001084900000000 ] - [ -0.0011717800000000, 0.0003777300000000, -0.0003540800000000 ] - [ 0.0011807000000000, -0.0003271700000000, 0.0003554600000000 ] - [ -0.0005316500000000, 0.0004163500000000, -0.0012076800000000 ] - [ 0.0004999200000000, -0.0003597600000000, 0.0010829700000000 ] - [ -0.0002684800000000, 0.0000069300000000, -0.0003111400000000 ] - [ 0.0002500100000000, -0.0000091500000000, 0.0002944700000000 ] - [ -0.0047916400000000, -0.0020155600000000, -0.0005433500000000 ] - [ 0.0023346300000000, 0.0007042100000000, 0.0005702400000000 ] - [ -0.0026793700000000, -0.0008683300000000, 0.0005730800000000 ] - [ 0.0026405000000000, 0.0001599400000000, 0.0003945600000000 ] - [ -0.0003751700000000, 0.0015914000000000, -0.0014500000000000 ] - [ -0.0005097500000000, -0.0010102800000000, 0.0008527000000000 ] - [ -0.0005954400000000, -0.0019069200000000, -0.0017471800000000 ] - [ 0.0030848300000000, 0.0030457700000000, 0.0023881900000000 ] - [ -0.0267119600000000, 0.0023739100000000, 0.0009660100000000 ] - [ 0.0023185700000000, 0.0003264900000000, -0.0003842400000000 ] - [ -0.0030867500000000, 0.0028777800000000, 0.0000806800000000 ] - [ 0.0015541700000000, -0.0007063900000000, -0.0002769800000000 ] - [ 0.0017761700000000, -0.0016040500000000, -0.0036428400000000 ] - [ -0.0000282700000000, 0.0005497600000000, 0.0013571600000000 ] - [ -0.0002054700000000, 0.0006308700000000, -0.0008974000000000 ] - [ 0.0001050600000000, -0.0011759100000000, 0.0016796300000000 ] - [ -0.0185634600000000, 0.0083164700000000, 0.0053924200000000 ] - [ 0.0079718600000000, -0.0017142400000000, -0.0028267500000000 ] - [ -0.0007328700000000, 0.0006373100000000, 0.0005200100000000 ] - [ 0.0005033900000000, 0.0003530900000000, -0.0001653000000000 ] - [ 0.0006379800000000, -0.0000439500000000, -0.0010367200000000 ] - [ -0.0005097700000000, 0.0002034200000000, 0.0018003200000000 ] - [ 0.0005310700000000, -0.0003982400000000, -0.0006548100000000 ] - [ -0.0005221300000000, -0.0001367600000000, 0.0001857400000000 ] - [ -0.0262027600000000, 0.0001933100000000, 0.0010516600000000 ] - [ 0.0078862700000000, 0.0024320300000000, 0.0022401900000000 ] - [ -0.0008162000000000, 0.0002066900000000, -0.0000205700000000 ] - [ 0.0008360300000000, -0.0007643700000000, -0.0001481500000000 ] - [ -0.0005099100000000, -0.0001065400000000, -0.0020926100000000 ] - [ 0.0005377700000000, 0.0000810200000000, 0.0006994100000000 ] - [ -0.0004638600000000, 0.0001635200000000, -0.0001564100000000 ] - [ 0.0005237800000000, 0.0003405700000000, 0.0005806700000000 ] - [ 0.0018263700000000, 0.0043886900000000, -0.0038324200000000 ] - [ 0.0043985800000000, -0.0064909200000000, 0.0055798800000000 ] - [ 0.0013738200000000, -0.0033574100000000, -0.0008120200000000 ] - [ 0.0000008200000000, 0.0014526700000000, 0.0011038100000000 ] - [ -0.0023894100000000, 0.0007301000000000, 0.0020596900000000 ] - [ 0.0009964000000000, -0.0003062300000000, -0.0005371400000000 ] - [ -0.0000401800000000, 0.0008203500000000, -0.0006305100000000 ] - [ 0.0004608700000000, 0.0001076100000000, -0.0003960400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0066265200000000, -0.0009622100000000, 0.0083049500000000 ] - [ 0.0024540300000000, -0.0010943500000000, 0.0013658300000000 ] - [ 0.0008476500000000, 0.0026955700000000, -0.0003490700000000 ] - [ -0.0004766900000000, 0.0009694900000000, -0.0000689400000000 ] - [ 0.0007827900000000, -0.0009443800000000, -0.0014781000000000 ] - [ -0.0001929700000000, -0.0002149000000000, -0.0004472900000000 ] - [ -0.0000421400000000, 0.0007725600000000, 0.0002397200000000 ] - [ -0.0000810300000000, 0.0003196600000000, -0.0001012900000000 ] - [ -0.0035744700000000, 0.0160149300000000, -0.0065921500000000 ] - [ 0.0003921600000000, 0.0004353100000000, -0.0003107200000000 ] - [ 0.0022401100000000, 0.0107730700000000, 0.0046484100000000 ] - [ -0.0003968200000000, -0.0002257200000000, 0.0001728400000000 ] - [ -0.0001709200000000, -0.0002221700000000, 0.0003290500000000 ] - [ 0.0002922200000000, 0.0000438000000000, 0.0007957900000000 ] - [ 0.0004299600000000, 0.0003201000000000, -0.0005238900000000 ] - [ -0.0005612600000000, 0.0000762500000000, -0.0006568700000000 ] - [ -0.0085422100000000, 0.0003824500000000, 0.0006333200000000 ] - [ 0.0067868100000000, -0.0006569700000000, 0.0014843300000000 ] - [ 0.0010316900000000, 0.0026673100000000, -0.0007112700000000 ] - [ -0.0006915100000000, 0.0012197200000000, -0.0001169100000000 ] - [ -0.0003282000000000, -0.0004393900000000, -0.0010462200000000 ] - [ 0.0003410400000000, -0.0002899300000000, 0.0000720700000000 ] - [ -0.0000494300000000, 0.0004952500000000, 0.0003078200000000 ] - [ 0.0000604500000000, 0.0002745300000000, -0.0000017600000000 ] - [ -0.0009523700000000, -0.0005862400000000, -0.0002712200000000 ] - [ 0.0013375800000000, -0.0027203300000000, 0.0003481700000000 ] - [ -0.0000146300000000, 0.0006452500000000, -0.0000650800000000 ] - [ 0.0000372900000000, 0.0008061000000000, 0.0000251600000000 ] - [ -0.0014464500000000, -0.0059080200000000, -0.0003814200000000 ] - [ 0.0003539500000000, -0.0012128900000000, 0.0005848800000000 ] - [ -0.0001865300000000, 0.0017825700000000, 0.0001012400000000 ] - [ 0.0001309500000000, 0.0008101600000000, 0.0000455700000000 ] - [ 0.0203862700000000, -0.1226578300000000, 0.0060250900000000 ] - [ 0.0001590800000000, -0.0017290000000000, 0.0011890200000000 ] - [ 0.0006221900000000, 0.0042598300000000, -0.0005202100000000 ] - [ -0.0001001600000000, 0.0013444000000000, -0.0002588200000000 ] - [ 0.0005866300000000, -0.0012781100000000, -0.0007300600000000 ] - [ 0.0000019600000000, -0.0008480300000000, -0.0001442400000000 ] - [ 0.0000679100000000, 0.0011270400000000, -0.0000035200000000 ] - [ -0.0004040500000000, 0.0011196100000000, 0.0000884500000000 ] - [ -0.0009076800000000, 0.0108302800000000, 0.0075323900000000 ] - [ -0.0003667800000000, 0.0005078800000000, 0.0004182300000000 ] - [ -0.0072059900000000, 0.0107908900000000, -0.0046592600000000 ] - [ 0.0021689200000000, 0.0005136100000000, 0.0010345200000000 ] - [ 0.0005680300000000, -0.0000419000000000, -0.0014070800000000 ] - [ -0.0003197600000000, 0.0002453900000000, -0.0012575800000000 ] - [ -0.0008619600000000, -0.0000360700000000, 0.0002390200000000 ] - [ 0.0014764800000000, 0.0002497100000000, 0.0006352600000000 ] - [ -0.0026088700000000, 0.0012912300000000, 0.0033902400000000 ] - [ 0.0000919400000000, -0.0017737200000000, -0.0008336200000000 ] - [ 0.0002583700000000, 0.0018454600000000, -0.0005966900000000 ] - [ -0.0003286300000000, 0.0011481900000000, -0.0001885400000000 ] - [ 0.0088671400000000, 0.0012419100000000, -0.0113412300000000 ] - [ -0.0019904800000000, -0.0017746700000000, -0.0003768000000000 ] - [ -0.0011274500000000, 0.0018450800000000, 0.0013783800000000 ] - [ 0.0021321700000000, 0.0011484500000000, 0.0007683600000000 ] - [ 0.0150196100000000, -0.0060347600000000, -0.0159020200000000 ] - [ -0.0041906000000000, 0.0034684200000000, -0.0010101000000000 ] - [ -0.0010850300000000, 0.0019948400000000, 0.0012994600000000 ] - [ 0.0005745200000000, 0.0008425100000000, 0.0003748300000000 ] - [ -0.0011230900000000, -0.0031086200000000, 0.0008163600000000 ] - [ 0.0005339300000000, -0.0010700500000000, 0.0002485700000000 ] - [ 0.0001618800000000, 0.0028997800000000, -0.0014773100000000 ] - [ 0.0002045600000000, 0.0011177400000000, -0.0000399500000000 ] - [ -0.0146405900000000, 0.0300496900000000, -0.0026924200000000 ] - [ -0.0027438700000000, 0.0035084600000000, 0.0024139200000000 ] - [ -0.0002950800000000, -0.0025930900000000, -0.0001362500000000 ] - [ 0.0008156300000000, -0.0013981400000000, -0.0000803600000000 ] - [ -0.0008486700000000, 0.0011788600000000, -0.0001319000000000 ] - [ 0.0002691500000000, 0.0015248100000000, -0.0002354500000000 ] - [ -0.0000490500000000, -0.0010069000000000, 0.0000499800000000 ] - [ 0.0008408400000000, -0.0016978600000000, 0.0005153200000000 ] - [ -0.0009182200000000, -0.0006122600000000, -0.0024436900000000 ] - [ 0.0007739000000000, 0.0007684200000000, 0.0004585500000000 ] - [ -0.0000364900000000, -0.0010853100000000, 0.0014155700000000 ] - [ -0.0001242800000000, -0.0005116500000000, 0.0004068600000000 ] - [ -0.0060143600000000, -0.0012233500000000, 0.0015164200000000 ] - [ 0.0060004300000000, -0.0001414500000000, 0.0021996800000000 ] - [ 0.0008809100000000, -0.0009601000000000, -0.0007269700000000 ] - [ -0.0038074700000000, -0.0050250800000000, -0.0031863000000000 ] - [ -0.0024555800000000, 0.0238079100000000, 0.0021943100000000 ] - [ 0.0000369300000000, 0.0017832100000000, -0.0012738000000000 ] - [ 0.0013215000000000, -0.0058879200000000, -0.0003782600000000 ] - [ -0.0004016500000000, -0.0013244500000000, 0.0004470800000000 ] - [ 0.0005755800000000, 0.0001898500000000, -0.0003382000000000 ] - [ -0.0003713200000000, 0.0010045300000000, 0.0001813200000000 ] - [ -0.0001557200000000, -0.0011229600000000, 0.0008429400000000 ] - [ 0.0002199000000000, -0.0009976400000000, 0.0005364700000000 ] - [ -0.0077903400000000, 0.0145372200000000, -0.0027158600000000 ] - [ 0.0017354500000000, -0.0003958400000000, -0.0010140000000000 ] - [ 0.0013975700000000, -0.0061751300000000, -0.0013087000000000 ] - [ -0.0006396100000000, -0.0011480700000000, -0.0006200000000000 ] - [ 0.0003957500000000, 0.0016236600000000, 0.0006748800000000 ] - [ -0.0001201800000000, 0.0007345300000000, 0.0006112200000000 ] - [ -0.0001898600000000, -0.0011531000000000, 0.0003389500000000 ] - [ -0.0003184000000000, -0.0009722900000000, -0.0003904800000000 ] - [ 0.0013898500000000, 0.0278352400000000, 0.0022137800000000 ] - [ 0.0025459300000000, 0.0022538900000000, 0.0015977500000000 ] - [ -0.0001979400000000, -0.0024836000000000, -0.0005689900000000 ] - [ -0.0000417000000000, -0.0012073900000000, -0.0002795200000000 ] - [ -0.0014537900000000, 0.0041469100000000, 0.0041085100000000 ] - [ 0.0000775600000000, 0.0016489500000000, 0.0002531900000000 ] - [ -0.0001003800000000, -0.0025071700000000, -0.0006969900000000 ] - [ -0.0004759400000000, -0.0017348000000000, -0.0008043700000000 ] - [ -0.0016734600000000, 0.0001901300000000, 0.0044225800000000 ] - [ 0.0009476700000000, -0.0013513500000000, 0.0010111500000000 ] - [ 0.0012077200000000, -0.0005543000000000, -0.0011724100000000 ] - [ -0.0010412800000000, 0.0000624200000000, -0.0004321000000000 ] - [ 0.0019333100000000, -0.0008361900000000, -0.0043766700000000 ] - [ -0.0005140500000000, 0.0003644400000000, -0.0008696200000000 ] - [ -0.0002069700000000, -0.0060466200000000, 0.0070002800000000 ] - [ -0.0001848900000000, -0.0005651600000000, 0.0004344500000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0065620200000000, 0.0009246000000000, -0.0082615100000000 ] - [ -0.0024787100000000, 0.0011109000000000, -0.0013578200000000 ] - [ -0.0008779900000000, -0.0026807100000000, 0.0003638400000000 ] - [ 0.0004488300000000, -0.0009561900000000, 0.0000772100000000 ] - [ -0.0008130500000000, 0.0009446500000000, 0.0014892800000000 ] - [ 0.0001640000000000, 0.0002278700000000, 0.0004573000000000 ] - [ 0.0000138700000000, -0.0007576600000000, -0.0002345200000000 ] - [ 0.0000509300000000, -0.0003045100000000, 0.0001085900000000 ] - [ 0.0034763000000000, -0.0157267600000000, 0.0064716600000000 ] - [ -0.0004194000000000, -0.0004582300000000, 0.0003228900000000 ] - [ -0.0023079200000000, -0.0109790400000000, -0.0047066900000000 ] - [ 0.0003658800000000, 0.0002099000000000, -0.0001664600000000 ] - [ 0.0001405600000000, 0.0002006000000000, -0.0003211300000000 ] - [ -0.0003198800000000, -0.0000631600000000, -0.0007871900000000 ] - [ -0.0004577700000000, -0.0003385900000000, 0.0005342100000000 ] - [ 0.0005305700000000, -0.0000962300000000, 0.0006659600000000 ] - [ 0.0086308400000000, -0.0003381200000000, -0.0006478200000000 ] - [ -0.0067999200000000, 0.0006933400000000, -0.0014939400000000 ] - [ -0.0009976100000000, -0.0026510900000000, 0.0007072700000000 ] - [ 0.0007141600000000, -0.0012007400000000, 0.0001091500000000 ] - [ 0.0003563700000000, 0.0004565400000000, 0.0010391200000000 ] - [ -0.0003104900000000, 0.0003114000000000, -0.0000777900000000 ] - [ 0.0000804200000000, -0.0004751400000000, -0.0003151900000000 ] - [ -0.0000314900000000, -0.0002562500000000, -0.0000072700000000 ] - [ 0.0009728800000000, 0.0005693600000000, 0.0002667500000000 ] - [ -0.0012819500000000, 0.0027141400000000, -0.0003226500000000 ] - [ 0.0000458300000000, -0.0006583500000000, 0.0000561000000000 ] - [ -0.0000097200000000, -0.0008211700000000, -0.0000361300000000 ] - [ 0.0014515400000000, 0.0058995000000000, 0.0003243700000000 ] - [ -0.0003230900000000, 0.0012017100000000, -0.0005973700000000 ] - [ 0.0002185700000000, -0.0017981600000000, -0.0001058900000000 ] - [ -0.0001029900000000, -0.0008265300000000, -0.0000531000000000 ] - [ -0.0207720500000000, 0.1231900600000000, -0.0080047600000000 ] - [ -0.0001726700000000, 0.0017682900000000, -0.0011836700000000 ] - [ -0.0006379700000000, -0.0042302200000000, 0.0005235800000000 ] - [ 0.0000846500000000, -0.0013178000000000, 0.0002692500000000 ] - [ -0.0006072500000000, 0.0013045400000000, 0.0007493500000000 ] - [ -0.0000151700000000, 0.0008816000000000, 0.0001541800000000 ] - [ -0.0000830700000000, -0.0010936000000000, 0.0000124400000000 ] - [ 0.0003870100000000, -0.0010906700000000, -0.0000806100000000 ] - [ 0.0009867200000000, -0.0107641100000000, -0.0075358300000000 ] - [ 0.0003793800000000, -0.0004855000000000, -0.0004322400000000 ] - [ 0.0071954800000000, -0.0108024100000000, 0.0047139600000000 ] - [ -0.0021595900000000, -0.0004801700000000, -0.0010442700000000 ] - [ -0.0005493700000000, 0.0000705400000000, 0.0013937600000000 ] - [ 0.0003293200000000, -0.0002207400000000, 0.0012485100000000 ] - [ 0.0008760700000000, 0.0000760800000000, -0.0002540800000000 ] - [ -0.0014658100000000, -0.0002167900000000, -0.0006465900000000 ] - [ 0.0026185100000000, -0.0012658600000000, -0.0033981000000000 ] - [ -0.0001097400000000, 0.0017503900000000, 0.0008442500000000 ] - [ -0.0002713700000000, -0.0018761400000000, 0.0005983300000000 ] - [ 0.0003154300000000, -0.0011832300000000, 0.0001969900000000 ] - [ -0.0088846400000000, -0.0013153900000000, 0.0113819100000000 ] - [ 0.0019827200000000, 0.0017492700000000, 0.0003861200000000 ] - [ 0.0011038600000000, -0.0018762500000000, -0.0013633100000000 ] - [ -0.0021513600000000, -0.0011829200000000, -0.0007615200000000 ] - [ -0.0149490500000000, 0.0058854600000000, 0.0158653000000000 ] - [ 0.0041887600000000, -0.0035059800000000, 0.0010055200000000 ] - [ 0.0011101100000000, -0.0020286100000000, -0.0013143000000000 ] - [ -0.0005657800000000, -0.0008736600000000, -0.0003867100000000 ] - [ 0.0011385300000000, 0.0030756000000000, -0.0008195300000000 ] - [ -0.0005178500000000, 0.0010405000000000, -0.0002549600000000 ] - [ -0.0001445900000000, -0.0029246500000000, 0.0014708200000000 ] - [ -0.0001893600000000, -0.0011513700000000, 0.0000316300000000 ] - [ 0.0144318400000000, -0.0300692400000000, 0.0026705200000000 ] - [ 0.0027473800000000, -0.0034976100000000, -0.0023999100000000 ] - [ 0.0003034500000000, 0.0025980500000000, 0.0001362200000000 ] - [ -0.0008206900000000, 0.0013977300000000, 0.0000807000000000 ] - [ 0.0008490100000000, -0.0011770700000000, 0.0001281400000000 ] - [ -0.0002704000000000, -0.0015231900000000, 0.0002322300000000 ] - [ 0.0000488600000000, 0.0010070600000000, -0.0000499200000000 ] - [ -0.0008403400000000, 0.0016961200000000, -0.0005154700000000 ] - [ 0.0009073300000000, 0.0005925700000000, 0.0024578100000000 ] - [ -0.0007731500000000, -0.0007739400000000, -0.0004581000000000 ] - [ 0.0000408800000000, 0.0010873300000000, -0.0014050600000000 ] - [ 0.0001210400000000, 0.0005124500000000, -0.0004070500000000 ] - [ 0.0060307800000000, 0.0012266400000000, -0.0015241000000000 ] - [ -0.0060198500000000, 0.0001441200000000, -0.0022093000000000 ] - [ -0.0008745800000000, 0.0009631000000000, 0.0007253100000000 ] - [ 0.0038190700000000, 0.0050422400000000, 0.0032058400000000 ] - [ 0.0024340400000000, -0.0256210100000000, -0.0007083600000000 ] - [ -0.0000099700000000, -0.0018051600000000, 0.0013511200000000 ] - [ -0.0012984200000000, 0.0058623100000000, 0.0004404700000000 ] - [ 0.0004310800000000, 0.0013131400000000, -0.0003762500000000 ] - [ -0.0005392900000000, -0.0002232400000000, 0.0003844500000000 ] - [ 0.0004001800000000, -0.0010254800000000, -0.0001102200000000 ] - [ 0.0001820800000000, 0.0011055600000000, -0.0007669500000000 ] - [ -0.0001908300000000, 0.0009839600000000, -0.0004646900000000 ] - [ 0.0084927000000000, -0.0131972000000000, 0.0032117400000000 ] - [ -0.0017831200000000, 0.0003901000000000, 0.0009527700000000 ] - [ -0.0014310700000000, 0.0061714500000000, 0.0012297900000000 ] - [ 0.0006149500000000, 0.0011310700000000, 0.0005482700000000 ] - [ -0.0004220400000000, -0.0016364300000000, -0.0007524700000000 ] - [ 0.0000907700000000, -0.0007470800000000, -0.0006895800000000 ] - [ 0.0001602400000000, 0.0011324400000000, -0.0004094200000000 ] - [ 0.0002915800000000, 0.0009568500000000, 0.0003202000000000 ] - [ -0.0014059000000000, -0.0278333500000000, -0.0020256400000000 ] - [ -0.0025260500000000, -0.0022453800000000, -0.0015275500000000 ] - [ 0.0002218500000000, 0.0024987800000000, 0.0006477500000000 ] - [ 0.0000716600000000, 0.0012262800000000, 0.0003544900000000 ] - [ 0.0014928800000000, -0.0041367100000000, -0.0040544800000000 ] - [ -0.0000517200000000, -0.0016353600000000, -0.0001825900000000 ] - [ 0.0001292600000000, 0.0025208700000000, 0.0007660500000000 ] - [ 0.0005069500000000, 0.0017559600000000, 0.0008793700000000 ] - [ 0.0016307200000000, -0.0001661800000000, -0.0044860000000000 ] - [ -0.0009762100000000, 0.0013850600000000, -0.0010901800000000 ] - [ -0.0012434900000000, 0.0005558900000000, 0.0011126900000000 ] - [ 0.0010205500000000, -0.0000515400000000, 0.0003647700000000 ] - [ -0.0019614200000000, 0.0008497700000000, 0.0042912400000000 ] - [ 0.0004868200000000, -0.0003468900000000, 0.0007970600000000 ] - [ 0.0001822300000000, 0.0060387200000000, -0.0070350800000000 ] - [ 0.0001568800000000, 0.0005822800000000, -0.0005072900000000 ]- atom: 33 displacement: [ -0.0039331809669210, 0.0000000000000000, 0.0091940245530154 ] forces: - [ -0.0109607000000000, 0.0109722000000000, 0.0107856900000000 ] - [ 0.0006253200000000, 0.0000799500000000, -0.0002671000000000 ] - [ -0.0007795600000000, -0.0016079600000000, 0.0002515900000000 ] - [ 0.0003230300000000, -0.0002315100000000, -0.0001396800000000 ] - [ 0.0004258600000000, -0.0028273000000000, 0.0044349400000000 ] - [ -0.0003669500000000, -0.0001424300000000, 0.0001101700000000 ] - [ 0.0000601900000000, 0.0008950900000000, 0.0003696300000000 ] - [ -0.0000924400000000, 0.0001631100000000, 0.0001388100000000 ] - [ 0.0026582500000000, -0.0048165600000000, -0.0031455400000000 ] - [ -0.0006293200000000, -0.0003401400000000, -0.0003211000000000 ] - [ 0.0020582100000000, 0.0035382800000000, -0.0044492600000000 ] - [ -0.0007963300000000, 0.0002899400000000, -0.0006404600000000 ] - [ -0.0003918100000000, 0.0000376200000000, 0.0008379700000000 ] - [ 0.0002812500000000, 0.0000366200000000, 0.0003329800000000 ] - [ -0.0005064500000000, -0.0000257700000000, 0.0014644800000000 ] - [ 0.0005119600000000, -0.0001138100000000, 0.0008563500000000 ] - [ -0.0026301400000000, 0.0036635800000000, -0.0059785000000000 ] - [ -0.0036264900000000, -0.0016212900000000, -0.0028017500000000 ] - [ 0.0003791600000000, 0.0000995700000000, -0.0009101700000000 ] - [ -0.0001907400000000, 0.0002182700000000, -0.0002808600000000 ] - [ -0.0002505400000000, -0.0000442400000000, 0.0015673700000000 ] - [ 0.0004791200000000, 0.0001985400000000, 0.0015483900000000 ] - [ -0.0000983900000000, 0.0000060400000000, 0.0005014300000000 ] - [ 0.0001166900000000, -0.0000898200000000, 0.0003921100000000 ] - [ -0.0037045500000000, -0.0003268400000000, 0.0016205800000000 ] - [ 0.0071700200000000, -0.0003768200000000, 0.0043105900000000 ] - [ -0.0003845700000000, 0.0001220300000000, 0.0000985600000000 ] - [ 0.0003265300000000, 0.0002170000000000, -0.0002459600000000 ] - [ 0.0061338100000000, 0.0005869000000000, 0.0064496600000000 ] - [ -0.0012540300000000, 0.0002630700000000, 0.0005582100000000 ] - [ 0.0002920000000000, -0.0003794500000000, 0.0001692200000000 ] - [ -0.0002187300000000, -0.0002014700000000, 0.0001471100000000 ] - [ 0.0675379200000000, -0.0008611600000000, -0.1140413900000000 ] - [ -0.0026062900000000, 0.0010402000000000, -0.0007836900000000 ] - [ -0.0001200300000000, -0.0007159500000000, -0.0016521700000000 ] - [ -0.0005092500000000, -0.0001924800000000, -0.0003718500000000 ] - [ -0.0019983500000000, -0.0008994000000000, 0.0043993700000000 ] - [ 0.0008178700000000, -0.0001246500000000, 0.0010577000000000 ] - [ -0.0002955800000000, -0.0000203800000000, 0.0011091800000000 ] - [ 0.0005873800000000, 0.0002469400000000, 0.0005731500000000 ] - [ 0.0012716700000000, 0.0014901100000000, 0.0016463400000000 ] - [ -0.0007916100000000, -0.0000888200000000, -0.0000354100000000 ] - [ 0.0066913000000000, -0.0072846400000000, 0.0040167100000000 ] - [ -0.0021729500000000, -0.0005210800000000, -0.0006245900000000 ] - [ -0.0012926200000000, -0.0005509900000000, 0.0017312900000000 ] - [ 0.0013309600000000, 0.0000055900000000, -0.0004339700000000 ] - [ -0.0020879800000000, 0.0015235300000000, 0.0013876900000000 ] - [ 0.0034482500000000, 0.0010371500000000, 0.0004715100000000 ] - [ -0.0015737500000000, 0.0139075000000000, 0.0118902800000000 ] - [ -0.0005185300000000, -0.0004434500000000, -0.0006011000000000 ] - [ 0.0006481200000000, -0.0017124000000000, 0.0005861200000000 ] - [ -0.0006369400000000, 0.0001206400000000, -0.0003805200000000 ] - [ -0.0054382900000000, -0.0042146200000000, 0.0103271200000000 ] - [ 0.0014745900000000, 0.0007954600000000, 0.0002472600000000 ] - [ -0.0002751700000000, 0.0006408000000000, 0.0001844700000000 ] - [ 0.0004441300000000, 0.0000332200000000, 0.0000819800000000 ] - [ -0.0182465700000000, -0.0204450100000000, -0.0105169800000000 ] - [ -0.0036358100000000, 0.0007037300000000, 0.0014824200000000 ] - [ 0.0009518300000000, 0.0016128300000000, -0.0035937000000000 ] - [ -0.0002986800000000, 0.0001109600000000, -0.0008842000000000 ] - [ 0.0001897600000000, 0.0011867600000000, 0.0026151100000000 ] - [ 0.0005472100000000, 0.0000100500000000, 0.0008886700000000 ] - [ -0.0003999000000000, -0.0014277900000000, 0.0020790200000000 ] - [ 0.0000386700000000, -0.0001276300000000, 0.0010281400000000 ] - [ -0.0154184900000000, 0.0027754400000000, 0.0214549900000000 ] - [ 0.0057513700000000, 0.0019661900000000, 0.0042957800000000 ] - [ 0.0002294300000000, 0.0003909500000000, 0.0011813000000000 ] - [ 0.0003133600000000, -0.0004427200000000, 0.0012674600000000 ] - [ 0.0002837700000000, 0.0002799600000000, -0.0023423100000000 ] - [ -0.0008075900000000, -0.0002072700000000, -0.0015235900000000 ] - [ 0.0000583900000000, -0.0000295900000000, -0.0009298400000000 ] - [ -0.0005937900000000, 0.0005097400000000, -0.0009749800000000 ] - [ -0.0050570200000000, -0.0056117500000000, -0.0036043300000000 ] - [ 0.0016856400000000, -0.0001821000000000, -0.0002771100000000 ] - [ -0.0012125100000000, 0.0012008200000000, -0.0003193300000000 ] - [ 0.0012366800000000, 0.0003406400000000, -0.0003113600000000 ] - [ 0.0046336600000000, 0.0018060500000000, -0.0016844200000000 ] - [ -0.0047454500000000, 0.0005906100000000, -0.0008762200000000 ] - [ 0.0009271500000000, -0.0005590700000000, -0.0002253300000000 ] - [ -0.0007916600000000, -0.0002387000000000, -0.0005288600000000 ] - [ -0.0112573900000000, 0.0006098700000000, 0.0233233100000000 ] - [ 0.0009028600000000, -0.0008882000000000, 0.0010980800000000 ] - [ 0.0000999600000000, -0.0004309600000000, 0.0004117900000000 ] - [ 0.0002955900000000, 0.0000087300000000, 0.0003198200000000 ] - [ 0.0031095800000000, -0.0018577600000000, -0.0066056700000000 ] - [ -0.0010568800000000, 0.0003795300000000, -0.0007278600000000 ] - [ 0.0002190000000000, 0.0006797800000000, -0.0011730600000000 ] - [ -0.0003764600000000, 0.0000396500000000, -0.0000501800000000 ] - [ -0.0127999600000000, -0.0001736000000000, 0.0250379300000000 ] - [ 0.0011320600000000, 0.0002878900000000, 0.0006815000000000 ] - [ -0.0022831300000000, 0.0040588300000000, 0.0028756000000000 ] - [ 0.0006221200000000, 0.0005618300000000, 0.0007638100000000 ] - [ 0.0012314100000000, -0.0000576900000000, -0.0027728200000000 ] - [ -0.0009845200000000, 0.0001778400000000, -0.0008936900000000 ] - [ 0.0009395000000000, -0.0008030800000000, -0.0020698000000000 ] - [ -0.0009839600000000, -0.0010883200000000, -0.0012739700000000 ] - [ -0.0113315100000000, 0.0031401400000000, 0.0255129300000000 ] - [ 0.0022502100000000, 0.0005527100000000, 0.0007224200000000 ] - [ -0.0006621000000000, 0.0004128100000000, 0.0017834900000000 ] - [ 0.0003124000000000, 0.0000090700000000, 0.0004680500000000 ] - [ 0.0021774800000000, -0.0010943500000000, -0.0062163600000000 ] - [ -0.0006923700000000, -0.0005425900000000, -0.0009016600000000 ] - [ 0.0005019400000000, 0.0001839600000000, -0.0010578800000000 ] - [ -0.0002328300000000, -0.0000738500000000, -0.0004966800000000 ] - [ 0.0017773700000000, 0.0056630400000000, 0.0001429700000000 ] - [ 0.0010880700000000, -0.0017504500000000, 0.0013709500000000 ] - [ 0.0024321300000000, -0.0064652800000000, 0.0002132900000000 ] - [ -0.0005740600000000, -0.0003233200000000, 0.0012499900000000 ] - [ -0.0003861900000000, -0.0010423800000000, -0.0012011400000000 ] - [ -0.0000622100000000, 0.0002580600000000, -0.0005127000000000 ] - [ -0.0000397200000000, 0.0035102800000000, -0.0052692300000000 ] - [ 0.0000976600000000, 0.0003911900000000, -0.0010045100000000 ]- atom: 33 displacement: [ 0.0039331809669210, 0.0000000000000000, -0.0091940245530154 ] forces: - [ 0.0107436200000000, -0.0107397100000000, -0.0106175600000000 ] - [ -0.0006646400000000, -0.0000630200000000, 0.0002691500000000 ] - [ 0.0007569400000000, 0.0016282100000000, -0.0002462900000000 ] - [ -0.0003510600000000, 0.0002471200000000, 0.0001441300000000 ] - [ -0.0004472300000000, 0.0028617900000000, -0.0044661400000000 ] - [ 0.0003404800000000, 0.0001578600000000, -0.0001014900000000 ] - [ -0.0000874400000000, -0.0008829900000000, -0.0003652000000000 ] - [ 0.0000657500000000, -0.0001476200000000, -0.0001322400000000 ] - [ -0.0026921100000000, 0.0047560000000000, 0.0032010100000000 ] - [ 0.0006062500000000, 0.0003194600000000, 0.0003316100000000 ] - [ -0.0020990600000000, -0.0035291600000000, 0.0044809600000000 ] - [ 0.0007698500000000, -0.0003083600000000, 0.0006460200000000 ] - [ 0.0003623700000000, -0.0000543800000000, -0.0008334400000000 ] - [ -0.0003082800000000, -0.0000543900000000, -0.0003294700000000 ] - [ 0.0004805400000000, 0.0000022100000000, -0.0014587300000000 ] - [ -0.0005412300000000, 0.0000921200000000, -0.0008526600000000 ] - [ 0.0026347500000000, -0.0036279200000000, 0.0060055800000000 ] - [ 0.0036658700000000, 0.0016431500000000, 0.0027721300000000 ] - [ -0.0003560200000000, -0.0000870600000000, 0.0009116100000000 ] - [ 0.0002231600000000, -0.0002037000000000, 0.0002750200000000 ] - [ 0.0002806100000000, 0.0000592100000000, -0.0015742000000000 ] - [ -0.0004530600000000, -0.0001787700000000, -0.0015590200000000 ] - [ 0.0001288900000000, 0.0000150500000000, -0.0005069500000000 ] - [ -0.0000891200000000, 0.0001091500000000, -0.0003982100000000 ] - [ 0.0037405500000000, 0.0003095000000000, -0.0016340400000000 ] - [ -0.0072109200000000, 0.0003605500000000, -0.0043376700000000 ] - [ 0.0004147900000000, -0.0001369000000000, -0.0001042700000000 ] - [ -0.0003007200000000, -0.0002359100000000, 0.0002411800000000 ] - [ -0.0060253400000000, -0.0006088400000000, -0.0064202500000000 ] - [ 0.0012732100000000, -0.0002779700000000, -0.0005670800000000 ] - [ -0.0002637500000000, 0.0003608800000000, -0.0001757200000000 ] - [ 0.0002450300000000, 0.0001822700000000, -0.0001537500000000 ] - [ -0.0699901500000000, 0.0024516600000000, 0.1160548900000000 ] - [ 0.0026031400000000, -0.0010113000000000, 0.0007866800000000 ] - [ 0.0001008100000000, 0.0007391100000000, 0.0016661600000000 ] - [ 0.0004957100000000, 0.0002205500000000, 0.0003821400000000 ] - [ 0.0019749400000000, 0.0009300300000000, -0.0043754700000000 ] - [ -0.0008306800000000, 0.0001554600000000, -0.0010516800000000 ] - [ 0.0002822200000000, 0.0000530700000000, -0.0011033200000000 ] - [ -0.0006046400000000, -0.0002196800000000, -0.0005655800000000 ] - [ -0.0012265500000000, -0.0014647900000000, -0.0016997900000000 ] - [ 0.0008050100000000, 0.0001183200000000, 0.0000227000000000 ] - [ -0.0067068600000000, 0.0073135000000000, -0.0039926900000000 ] - [ 0.0021832500000000, 0.0005530700000000, 0.0006138800000000 ] - [ 0.0013137000000000, 0.0005852400000000, -0.0017442200000000 ] - [ -0.0013229600000000, 0.0000257100000000, 0.0004339500000000 ] - [ 0.0021090700000000, -0.0014910200000000, -0.0014064300000000 ] - [ -0.0034552000000000, -0.0010112500000000, -0.0004790700000000 ] - [ 0.0016363700000000, -0.0139667100000000, -0.0119845700000000 ] - [ 0.0005045600000000, 0.0004182300000000, 0.0006191100000000 ] - [ -0.0006694600000000, 0.0016869900000000, -0.0005774100000000 ] - [ 0.0006288800000000, -0.0001567800000000, 0.0003914100000000 ] - [ 0.0054182700000000, 0.0040848800000000, -0.0102773300000000 ] - [ -0.0014898700000000, -0.0008255200000000, -0.0002390000000000 ] - [ 0.0002628700000000, -0.0006658900000000, -0.0001851000000000 ] - [ -0.0004685900000000, -0.0000669900000000, -0.0000781700000000 ] - [ 0.0183912900000000, 0.0205493200000000, 0.0106350600000000 ] - [ 0.0036525500000000, -0.0007374400000000, -0.0015018300000000 ] - [ -0.0009368000000000, -0.0016531600000000, 0.0035936000000000 ] - [ 0.0003162500000000, -0.0001413200000000, 0.0008735100000000 ] - [ -0.0001648100000000, -0.0012060800000000, -0.0026138400000000 ] - [ -0.0005384600000000, -0.0000381500000000, -0.0009010700000000 ] - [ 0.0004162900000000, 0.0014027700000000, -0.0020905700000000 ] - [ -0.0000248300000000, 0.0000938700000000, -0.0010392000000000 ] - [ 0.0157580400000000, -0.0028998900000000, -0.0214441000000000 ] - [ -0.0057778500000000, -0.0019770800000000, -0.0043178900000000 ] - [ -0.0002292400000000, -0.0003881800000000, -0.0011853500000000 ] - [ -0.0003170700000000, 0.0004448700000000, -0.0012705900000000 ] - [ -0.0002781500000000, -0.0002826200000000, 0.0023459400000000 ] - [ 0.0008012400000000, 0.0002054700000000, 0.0015219300000000 ] - [ -0.0000585800000000, 0.0000324300000000, 0.0009324600000000 ] - [ 0.0005953300000000, -0.0005099700000000, 0.0009777100000000 ] - [ 0.0050849700000000, 0.0056459200000000, 0.0036263900000000 ] - [ -0.0016923200000000, 0.0001778900000000, 0.0002749900000000 ] - [ 0.0012208100000000, -0.0012052900000000, 0.0003146700000000 ] - [ -0.0012458100000000, -0.0003414300000000, 0.0003085500000000 ] - [ -0.0046306300000000, -0.0017941700000000, 0.0016903300000000 ] - [ 0.0047433400000000, -0.0005922400000000, 0.0008764500000000 ] - [ -0.0009267800000000, 0.0005512900000000, 0.0002288300000000 ] - [ 0.0008112500000000, 0.0002630000000000, 0.0005494300000000 ] - [ 0.0112321100000000, -0.0016355700000000, -0.0223675500000000 ] - [ -0.0008763800000000, 0.0008714800000000, -0.0010233500000000 ] - [ -0.0000811100000000, 0.0004338300000000, -0.0003314000000000 ] - [ -0.0002642600000000, -0.0000219800000000, -0.0002468700000000 ] - [ -0.0030783700000000, 0.0018260300000000, 0.0066507100000000 ] - [ 0.0010907800000000, -0.0003979800000000, 0.0007976800000000 ] - [ -0.0001910100000000, -0.0007001500000000, 0.0012493700000000 ] - [ 0.0004062100000000, -0.0000523800000000, 0.0001203300000000 ] - [ 0.0127415900000000, 0.0001113200000000, -0.0250731000000000 ] - [ -0.0011687900000000, -0.0003030100000000, -0.0007435500000000 ] - [ 0.0022573800000000, -0.0040624500000000, -0.0029522200000000 ] - [ -0.0006498100000000, -0.0005775300000000, -0.0008318800000000 ] - [ -0.0012621200000000, 0.0000359000000000, 0.0026950000000000 ] - [ 0.0009614600000000, -0.0001977300000000, 0.0008197200000000 ] - [ -0.0009724600000000, 0.0007876900000000, 0.0020027800000000 ] - [ 0.0009611700000000, 0.0010786300000000, 0.0012065900000000 ] - [ 0.0136070500000000, -0.0037563100000000, -0.0286454500000000 ] - [ -0.0022505300000000, -0.0005464300000000, -0.0006608200000000 ] - [ 0.0006938100000000, -0.0003936900000000, -0.0017150800000000 ] - [ -0.0002870100000000, 0.0000091100000000, -0.0003966000000000 ] - [ -0.0021409700000000, 0.0011178900000000, 0.0062573100000000 ] - [ 0.0007228400000000, 0.0005577900000000, 0.0009795400000000 ] - [ -0.0004768400000000, -0.0001684500000000, 0.0011332000000000 ] - [ 0.0002647300000000, 0.0000959200000000, 0.0005719600000000 ] - [ -0.0018185200000000, -0.0056749000000000, -0.0002198100000000 ] - [ -0.0011273800000000, 0.0017837000000000, -0.0014616600000000 ] - [ -0.0024789500000000, 0.0065103000000000, -0.0002797200000000 ] - [ 0.0005489600000000, 0.0003362000000000, -0.0013290200000000 ] - [ 0.0003461200000000, 0.0010435800000000, 0.0011354700000000 ] - [ 0.0000387800000000, -0.0002448100000000, 0.0004435400000000 ] - [ 0.0000096700000000, -0.0035160800000000, 0.0052391700000000 ] - [ -0.0001246500000000, -0.0003734600000000, 0.0009352000000000 ]- atom: 65 displacement: [ 0.0099999624241954, 0.0000000000000000, -0.0000274137680657 ] forces: - [ 0.0049271900000000, -0.0008874500000000, 0.0002083600000000 ] - [ -0.0036739600000000, 0.0000136300000000, -0.0000484300000000 ] - [ 0.0009240700000000, 0.0004616700000000, -0.0000522300000000 ] - [ -0.0007648500000000, 0.0000892000000000, 0.0000257700000000 ] - [ -0.0000548800000000, -0.0010551900000000, 0.0029776700000000 ] - [ -0.0012917500000000, 0.0003282900000000, -0.0024045100000000 ] - [ 0.0001956000000000, 0.0003375000000000, 0.0003549500000000 ] - [ -0.0002781000000000, -0.0000349400000000, -0.0003880100000000 ] - [ 0.0087932600000000, 0.0048258700000000, 0.0001293800000000 ] - [ -0.0029487100000000, 0.0012855900000000, -0.0005543800000000 ] - [ 0.0014462200000000, 0.0024040700000000, 0.0006718300000000 ] - [ -0.0013855400000000, -0.0010267600000000, 0.0001641900000000 ] - [ 0.0005051600000000, -0.0000600600000000, 0.0004939000000000 ] - [ -0.0005554300000000, -0.0000725200000000, -0.0007917800000000 ] - [ 0.0003230600000000, 0.0001431700000000, 0.0002493000000000 ] - [ -0.0003624500000000, -0.0000472700000000, -0.0005085100000000 ] - [ -0.0029155600000000, 0.0013134800000000, -0.0005728700000000 ] - [ 0.0087587000000000, 0.0046196100000000, 0.0001497800000000 ] - [ -0.0013503100000000, -0.0010179100000000, 0.0001545600000000 ] - [ 0.0014641300000000, 0.0024324100000000, 0.0006630300000000 ] - [ -0.0005223500000000, -0.0000548500000000, -0.0007980900000000 ] - [ 0.0005392900000000, -0.0000433100000000, 0.0004803700000000 ] - [ -0.0003295100000000, -0.0000307500000000, -0.0005199700000000 ] - [ 0.0003560700000000, 0.0001605500000000, 0.0002357100000000 ] - [ -0.0036403500000000, -0.0000009100000000, -0.0000510300000000 ] - [ 0.0049571300000000, -0.0008564900000000, 0.0003228000000000 ] - [ -0.0007324200000000, 0.0000772900000000, 0.0000155100000000 ] - [ 0.0009574100000000, 0.0004513000000000, -0.0000644200000000 ] - [ -0.0012542300000000, 0.0003220100000000, -0.0024226900000000 ] - [ -0.0000366400000000, -0.0010651800000000, 0.0029630000000000 ] - [ -0.0002430200000000, -0.0000490400000000, -0.0003998500000000 ] - [ 0.0002263500000000, 0.0003242700000000, 0.0003432300000000 ] - [ 0.0644381200000000, -0.0155317100000000, 0.0101515800000000 ] - [ -0.0094428800000000, -0.0027285200000000, 0.0022155100000000 ] - [ 0.0011626600000000, -0.0002821400000000, 0.0007494500000000 ] - [ -0.0011875600000000, 0.0008321700000000, -0.0001580700000000 ] - [ 0.0005168800000000, -0.0008334000000000, 0.0005474600000000 ] - [ -0.0005070900000000, 0.0002844200000000, -0.0010824500000000 ] - [ 0.0002595400000000, -0.0000326300000000, 0.0001857100000000 ] - [ -0.0002568300000000, 0.0008557700000000, -0.0007488200000000 ] - [ 0.0005267000000000, -0.0060022200000000, -0.0049529500000000 ] - [ 0.0003720900000000, 0.0060297200000000, 0.0051901800000000 ] - [ -0.0030624900000000, 0.0038114900000000, -0.0021847000000000 ] - [ 0.0005927500000000, -0.0008622400000000, 0.0012549100000000 ] - [ -0.0023212300000000, -0.0007598200000000, 0.0008406500000000 ] - [ 0.0047831700000000, 0.0009293000000000, -0.0034756900000000 ] - [ -0.0026272900000000, 0.0001414100000000, 0.0002211700000000 ] - [ 0.0026830600000000, 0.0000559000000000, -0.0001844900000000 ] - [ 0.0003810500000000, 0.0060253300000000, 0.0052204300000000 ] - [ 0.0004852800000000, -0.0060077100000000, -0.0049309900000000 ] - [ 0.0005920900000000, -0.0008973300000000, 0.0012681200000000 ] - [ -0.0030885500000000, 0.0037988900000000, -0.0021851700000000 ] - [ 0.0047717000000000, 0.0008830000000000, -0.0034461500000000 ] - [ -0.0023323800000000, -0.0007856100000000, 0.0008430900000000 ] - [ 0.0026709300000000, 0.0000297300000000, -0.0001695500000000 ] - [ -0.0026453600000000, 0.0001051300000000, 0.0002245100000000 ] - [ -0.0094448600000000, -0.0027762600000000, 0.0022197500000000 ] - [ 0.0595507900000000, -0.0135697900000000, 0.0088431900000000 ] - [ -0.0011667100000000, 0.0008052100000000, -0.0001710500000000 ] - [ 0.0011753800000000, -0.0003153500000000, 0.0007427700000000 ] - [ -0.0004872800000000, 0.0002564800000000, -0.0010839200000000 ] - [ 0.0005359100000000, -0.0008634200000000, 0.0005277600000000 ] - [ -0.0002412600000000, 0.0008237200000000, -0.0007523800000000 ] - [ 0.0002743400000000, -0.0000653900000000, 0.0001753500000000 ] - [ -0.2345593200000000, 0.0411229800000000, -0.0397048400000000 ] - [ 0.0114150300000000, -0.0008698600000000, 0.0005033700000000 ] - [ -0.0019622200000000, -0.0000638500000000, -0.0006258600000000 ] - [ 0.0019599500000000, -0.0005681600000000, 0.0002381400000000 ] - [ -0.0009887500000000, 0.0006455000000000, -0.0011895200000000 ] - [ 0.0009305000000000, -0.0002009800000000, 0.0015778900000000 ] - [ -0.0003827100000000, -0.0000945800000000, -0.0003696700000000 ] - [ 0.0007151900000000, -0.0005132300000000, 0.0007743000000000 ] - [ -0.0028958500000000, -0.0021657900000000, -0.0019951000000000 ] - [ 0.0032848400000000, 0.0025770600000000, 0.0019638200000000 ] - [ -0.0028892800000000, 0.0007182500000000, -0.0011285000000000 ] - [ 0.0032912600000000, -0.0003451700000000, 0.0010680500000000 ] - [ -0.0028775100000000, 0.0007287300000000, -0.0011366300000000 ] - [ 0.0032769600000000, -0.0003469000000000, 0.0010670900000000 ] - [ -0.0028762000000000, -0.0021712200000000, -0.0020027500000000 ] - [ 0.0032884200000000, 0.0025957000000000, 0.0019758700000000 ] - [ 0.0044850300000000, -0.0145570400000000, 0.0121238900000000 ] - [ 0.0025734500000000, 0.0025862500000000, -0.0024704800000000 ] - [ -0.0017034800000000, 0.0020406900000000, 0.0008154600000000 ] - [ 0.0018548900000000, -0.0024826200000000, -0.0006752500000000 ] - [ 0.0012800000000000, -0.0008763700000000, -0.0021451500000000 ] - [ -0.0011930200000000, 0.0009090300000000, 0.0019874700000000 ] - [ 0.0003267900000000, 0.0003070400000000, -0.0006522500000000 ] - [ -0.0004096900000000, -0.0019775700000000, 0.0027764300000000 ] - [ 0.0223342800000000, 0.0095546100000000, 0.0102638300000000 ] - [ 0.0217482200000000, -0.0081392000000000, -0.0113828400000000 ] - [ 0.0006499400000000, -0.0017003000000000, -0.0004168200000000 ] - [ -0.0001879200000000, 0.0001176100000000, -0.0004507600000000 ] - [ 0.0007769400000000, 0.0003414000000000, 0.0001001600000000 ] - [ -0.0012516300000000, 0.0005051600000000, 0.0010659700000000 ] - [ 0.0005952300000000, -0.0001639100000000, 0.0002026000000000 ] - [ -0.0007731600000000, -0.0003207400000000, 0.0000462600000000 ] - [ 0.0220125300000000, -0.0082464700000000, -0.0114556800000000 ] - [ 0.0221092900000000, 0.0094465200000000, 0.0101780700000000 ] - [ -0.0001668100000000, 0.0001318900000000, -0.0003780600000000 ] - [ 0.0006823000000000, -0.0016877200000000, -0.0003472600000000 ] - [ -0.0012261500000000, 0.0005225900000000, 0.0011192400000000 ] - [ 0.0008031600000000, 0.0003569600000000, 0.0001799800000000 ] - [ -0.0007460500000000, -0.0003058600000000, 0.0001145500000000 ] - [ 0.0006231400000000, -0.0001439200000000, 0.0002795500000000 ] - [ 0.0025436600000000, 0.0026189700000000, -0.0025564200000000 ] - [ 0.0045423000000000, -0.0145324600000000, 0.0120412700000000 ] - [ 0.0018253900000000, -0.0024831000000000, -0.0007467100000000 ] - [ -0.0017169300000000, 0.0020563500000000, 0.0007499000000000 ] - [ -0.0012335200000000, 0.0009245100000000, 0.0019138900000000 ] - [ 0.0012533900000000, -0.0008551600000000, -0.0021986300000000 ] - [ -0.0004380500000000, -0.0019582100000000, 0.0027021700000000 ] - [ 0.0003018800000000, 0.0003212000000000, -0.0007218400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008880000000000, 0.0058679000000000, 0.0074025200000000 ] - [ 0.0003176100000000, 0.0005945300000000, -0.0002923000000000 ] - [ -0.0001911300000000, -0.0016131900000000, 0.0001604400000000 ] - [ 0.0001496200000000, -0.0005894200000000, 0.0000162900000000 ] - [ -0.0008733500000000, 0.0014704500000000, 0.0003987100000000 ] - [ 0.0007087100000000, 0.0015289500000000, 0.0006559500000000 ] - [ 0.0000498400000000, -0.0008788800000000, -0.0000912900000000 ] - [ -0.0000456300000000, -0.0007606100000000, -0.0000498300000000 ] - [ 0.0061300600000000, 0.0152742700000000, -0.0020253300000000 ] - [ 0.0012923100000000, 0.0000259700000000, -0.0000822500000000 ] - [ 0.0015411600000000, -0.0044974000000000, -0.0008486600000000 ] - [ -0.0002364900000000, -0.0004429000000000, 0.0000489800000000 ] - [ -0.0001641400000000, 0.0002520300000000, -0.0003408500000000 ] - [ 0.0000679200000000, 0.0001626100000000, 0.0002549900000000 ] - [ -0.0001049100000000, -0.0003078400000000, 0.0002359700000000 ] - [ 0.0001648800000000, -0.0002091400000000, 0.0001673500000000 ] - [ 0.0013218600000000, 0.0000357400000000, -0.0000874300000000 ] - [ 0.0056414200000000, 0.0144752200000000, -0.0018633700000000 ] - [ -0.0002066800000000, -0.0004189100000000, 0.0000356900000000 ] - [ 0.0015953500000000, -0.0045128600000000, -0.0008650900000000 ] - [ 0.0001002900000000, 0.0001790900000000, 0.0002411600000000 ] - [ -0.0001316600000000, 0.0002675800000000, -0.0003526300000000 ] - [ 0.0001975800000000, -0.0001906400000000, 0.0001564200000000 ] - [ -0.0000723800000000, -0.0002893000000000, 0.0002260200000000 ] - [ 0.0003488000000000, 0.0005831700000000, -0.0003105600000000 ] - [ -0.0008521900000000, 0.0059118500000000, 0.0073340200000000 ] - [ 0.0001826100000000, -0.0006027200000000, 0.0000048600000000 ] - [ -0.0001586100000000, -0.0016275400000000, 0.0001521600000000 ] - [ 0.0007405200000000, 0.0015083700000000, 0.0006488100000000 ] - [ -0.0008415600000000, 0.0014506700000000, 0.0003938600000000 ] - [ -0.0000156100000000, -0.0007715200000000, -0.0000621900000000 ] - [ 0.0000844600000000, -0.0008908300000000, -0.0001035500000000 ] - [ -0.0129227700000000, 0.0300931900000000, -0.0024784500000000 ] - [ 0.0001856000000000, 0.0035127600000000, 0.0022436300000000 ] - [ -0.0003902000000000, -0.0025815000000000, 0.0002656000000000 ] - [ 0.0003193800000000, -0.0013802800000000, -0.0003414500000000 ] - [ -0.0004235400000000, 0.0011937600000000, 0.0001314900000000 ] - [ 0.0003517800000000, 0.0015402300000000, -0.0000669100000000 ] - [ -0.0000150800000000, -0.0009914300000000, -0.0000336800000000 ] - [ 0.0000012600000000, -0.0016816200000000, 0.0005649200000000 ] - [ -0.0010181200000000, -0.0001119200000000, -0.0010788300000000 ] - [ 0.0015989600000000, -0.0011981000000000, -0.0012782400000000 ] - [ 0.0030476700000000, -0.0050166500000000, 0.0015707200000000 ] - [ -0.0018892700000000, -0.0009469100000000, -0.0002145900000000 ] - [ 0.0007143700000000, 0.0007899400000000, 0.0004917500000000 ] - [ -0.0019991700000000, -0.0005845400000000, 0.0052669600000000 ] - [ 0.0001666500000000, -0.0004986100000000, -0.0003077700000000 ] - [ -0.0008627500000000, -0.0010713000000000, -0.0016799200000000 ] - [ 0.0015678100000000, -0.0012525700000000, -0.0012838000000000 ] - [ -0.0010178100000000, -0.0001743400000000, -0.0010803000000000 ] - [ -0.0019160900000000, -0.0009755900000000, -0.0002054200000000 ] - [ 0.0030339900000000, -0.0050515700000000, 0.0015767000000000 ] - [ -0.0020109400000000, -0.0006196500000000, 0.0052625500000000 ] - [ 0.0006948800000000, 0.0007536300000000, 0.0005028000000000 ] - [ -0.0008813700000000, -0.0011011300000000, -0.0016833200000000 ] - [ 0.0001533200000000, -0.0005261600000000, -0.0002976000000000 ] - [ 0.0002138600000000, 0.0034935900000000, 0.0022169200000000 ] - [ -0.0134402400000000, 0.0300275700000000, -0.0026249500000000 ] - [ 0.0003321300000000, -0.0014148600000000, -0.0003457900000000 ] - [ -0.0003675400000000, -0.0026085100000000, 0.0002561500000000 ] - [ 0.0003682300000000, 0.0015079400000000, -0.0000743300000000 ] - [ -0.0004067300000000, 0.0011617700000000, 0.0001259400000000 ] - [ 0.0000186800000000, -0.0017124200000000, 0.0005535500000000 ] - [ 0.0000025600000000, -0.0010223000000000, -0.0000396400000000 ] - [ 0.0410832600000000, -0.1064307700000000, 0.0040296100000000 ] - [ -0.0008741800000000, -0.0019203800000000, -0.0015269000000000 ] - [ -0.0000639300000000, 0.0025421000000000, -0.0000126800000000 ] - [ -0.0005677800000000, 0.0010644300000000, 0.0000901300000000 ] - [ 0.0006455900000000, -0.0011982100000000, 0.0001713500000000 ] - [ -0.0002012900000000, -0.0011342400000000, -0.0001921500000000 ] - [ -0.0000952300000000, 0.0010690400000000, -0.0000245900000000 ] - [ -0.0005146600000000, 0.0013148600000000, -0.0003841800000000 ] - [ -0.0007091200000000, 0.0017706700000000, 0.0025379200000000 ] - [ 0.0003482500000000, 0.0003710800000000, 0.0002703900000000 ] - [ 0.0021648600000000, 0.0017705900000000, -0.0023160300000000 ] - [ -0.0025943600000000, 0.0003629000000000, -0.0009679000000000 ] - [ 0.0021590800000000, 0.0017687800000000, -0.0023019100000000 ] - [ -0.0025837200000000, 0.0003651900000000, -0.0009665500000000 ] - [ -0.0007252400000000, 0.0017685800000000, 0.0025542500000000 ] - [ 0.0003454800000000, 0.0003567000000000, 0.0002629000000000 ] - [ -0.0129054400000000, 0.0114137000000000, -0.0134530700000000 ] - [ 0.0005684300000000, -0.0012652400000000, -0.0000665700000000 ] - [ 0.0013448600000000, 0.0024814300000000, 0.0011546400000000 ] - [ -0.0006745500000000, 0.0011960700000000, 0.0000696900000000 ] - [ -0.0005092300000000, -0.0002232100000000, 0.0008551300000000 ] - [ 0.0003773600000000, -0.0006742700000000, 0.0012000400000000 ] - [ 0.0003267900000000, 0.0005918300000000, -0.0003630700000000 ] - [ -0.0000138300000000, 0.0026242600000000, -0.0027855100000000 ] - [ 0.0066543300000000, -0.0046251400000000, 0.0016172700000000 ] - [ -0.0091137100000000, -0.0040119800000000, 0.0030006100000000 ] - [ -0.0004686500000000, 0.0030275700000000, 0.0006429300000000 ] - [ 0.0005688500000000, 0.0017195600000000, 0.0004290700000000 ] - [ -0.0002650700000000, -0.0013032300000000, -0.0004583400000000 ] - [ 0.0003523900000000, -0.0020653600000000, -0.0016659400000000 ] - [ 0.0000760500000000, 0.0011168800000000, 0.0000745400000000 ] - [ 0.0002964000000000, 0.0015963400000000, 0.0006438200000000 ] - [ -0.0091162200000000, -0.0039296100000000, 0.0030938400000000 ] - [ 0.0067559600000000, -0.0045546400000000, 0.0017285400000000 ] - [ 0.0006036700000000, 0.0017369700000000, 0.0005022200000000 ] - [ -0.0004458400000000, 0.0030433300000000, 0.0007176400000000 ] - [ 0.0003789600000000, -0.0020431300000000, -0.0015896300000000 ] - [ -0.0002372400000000, -0.0012849400000000, -0.0003870100000000 ] - [ 0.0003249400000000, 0.0016114600000000, 0.0007218700000000 ] - [ 0.0001035700000000, 0.0011289600000000, 0.0001447400000000 ] - [ 0.0005432100000000, -0.0012620400000000, -0.0001309400000000 ] - [ -0.0130768700000000, 0.0114942600000000, -0.0136692400000000 ] - [ -0.0006994100000000, 0.0012234000000000, -0.0000027200000000 ] - [ 0.0013007200000000, 0.0024926100000000, 0.0010676100000000 ] - [ 0.0003533100000000, -0.0006667200000000, 0.0011217100000000 ] - [ -0.0005383100000000, -0.0002124600000000, 0.0007762600000000 ] - [ -0.0000409500000000, 0.0026345800000000, -0.0028485600000000 ] - [ 0.0002963700000000, 0.0006103500000000, -0.0004387800000000 ]- atom: 65 displacement: [ -0.0039331809669210, 0.0000000000000000, 0.0091940245530154 ] forces: - [ -0.0014913600000000, 0.0076540300000000, 0.0258744400000000 ] - [ 0.0012119000000000, 0.0001204900000000, -0.0004352200000000 ] - [ -0.0001952400000000, 0.0002791600000000, 0.0001342900000000 ] - [ 0.0001344400000000, 0.0000289100000000, -0.0000000600000000 ] - [ 0.0021999500000000, 0.0009940200000000, -0.0031127700000000 ] - [ -0.0007354800000000, -0.0000859900000000, -0.0001757800000000 ] - [ 0.0001514500000000, -0.0002300400000000, -0.0002297300000000 ] - [ -0.0001324900000000, -0.0000174900000000, -0.0000376500000000 ] - [ -0.0040188700000000, -0.0041281800000000, 0.0042465400000000 ] - [ 0.0005047500000000, -0.0005628800000000, 0.0014615400000000 ] - [ -0.0001791100000000, -0.0014712300000000, 0.0014997900000000 ] - [ 0.0002872400000000, 0.0000552800000000, 0.0005105100000000 ] - [ 0.0001585600000000, -0.0002023100000000, -0.0011582300000000 ] - [ -0.0001907500000000, 0.0000759500000000, -0.0005575200000000 ] - [ 0.0001354900000000, 0.0000979800000000, -0.0007871400000000 ] - [ -0.0001426300000000, -0.0000429900000000, -0.0004411100000000 ] - [ 0.0005367000000000, -0.0005459500000000, 0.0014497500000000 ] - [ -0.0040075300000000, -0.0041938900000000, 0.0042127100000000 ] - [ 0.0003197800000000, 0.0000782200000000, 0.0005033100000000 ] - [ -0.0001509200000000, -0.0014493000000000, 0.0015039800000000 ] - [ -0.0001624900000000, 0.0000960100000000, -0.0005652200000000 ] - [ 0.0001884200000000, -0.0001789600000000, -0.0011609600000000 ] - [ -0.0001141300000000, -0.0000235500000000, -0.0004475300000000 ] - [ 0.0001667600000000, 0.0001152000000000, -0.0007927700000000 ] - [ 0.0012319500000000, 0.0001055600000000, -0.0004447900000000 ] - [ -0.0015686400000000, 0.0071687800000000, 0.0245855500000000 ] - [ 0.0001624200000000, 0.0000138100000000, -0.0000052700000000 ] - [ -0.0001639500000000, 0.0002637300000000, 0.0001266300000000 ] - [ -0.0007052100000000, -0.0000997600000000, -0.0001720000000000 ] - [ 0.0022540500000000, 0.0009854300000000, -0.0031409600000000 ] - [ -0.0001037600000000, -0.0000335900000000, -0.0000427100000000 ] - [ 0.0001803000000000, -0.0002476100000000, -0.0002349000000000 ] - [ -0.0161982300000000, 0.0032622900000000, 0.0212511600000000 ] - [ 0.0036219900000000, 0.0033156100000000, 0.0034147100000000 ] - [ -0.0001417400000000, 0.0000087900000000, 0.0010295000000000 ] - [ 0.0001302000000000, -0.0003805000000000, 0.0011998500000000 ] - [ 0.0008854700000000, 0.0002295600000000, -0.0020787800000000 ] - [ -0.0008072900000000, -0.0003026800000000, -0.0015162700000000 ] - [ 0.0001680100000000, 0.0000815200000000, -0.0008756500000000 ] - [ -0.0001813000000000, 0.0001606100000000, -0.0007909500000000 ] - [ -0.0009834800000000, 0.0003629800000000, 0.0007360500000000 ] - [ 0.0011877500000000, -0.0037548500000000, -0.0031727900000000 ] - [ -0.0009650500000000, 0.0014435400000000, -0.0006150200000000 ] - [ 0.0013798600000000, 0.0010305100000000, -0.0000392900000000 ] - [ 0.0003985800000000, -0.0001018200000000, -0.0008355100000000 ] - [ -0.0013656400000000, 0.0019020800000000, -0.0020517200000000 ] - [ 0.0006788800000000, -0.0004060900000000, -0.0005564600000000 ] - [ -0.0015686100000000, -0.0012928500000000, -0.0004771400000000 ] - [ 0.0011653000000000, -0.0037796700000000, -0.0031610200000000 ] - [ -0.0009926500000000, 0.0003113400000000, 0.0007243600000000 ] - [ 0.0013550800000000, 0.0009955300000000, -0.0000353100000000 ] - [ -0.0009952600000000, 0.0014334500000000, -0.0006163200000000 ] - [ -0.0014149900000000, 0.0018867800000000, -0.0020319900000000 ] - [ 0.0003874700000000, -0.0001317100000000, -0.0008233000000000 ] - [ -0.0015946100000000, -0.0013321200000000, -0.0004686400000000 ] - [ 0.0006703900000000, -0.0004396500000000, -0.0005485800000000 ] - [ 0.0036408900000000, 0.0032710600000000, 0.0033726100000000 ] - [ -0.0161088600000000, 0.0032389000000000, 0.0211681800000000 ] - [ 0.0001492200000000, -0.0004113600000000, 0.0011861900000000 ] - [ -0.0001228700000000, -0.0000228700000000, 0.0010241100000000 ] - [ -0.0007965700000000, -0.0003397400000000, -0.0015265300000000 ] - [ 0.0009047500000000, 0.0001984500000000, -0.0020819300000000 ] - [ -0.0001663300000000, 0.0001264700000000, -0.0007988500000000 ] - [ 0.0001880500000000, 0.0000493500000000, -0.0008827100000000 ] - [ 0.0554817100000000, -0.0124687600000000, -0.0939100600000000 ] - [ -0.0040348500000000, -0.0010604000000000, -0.0025947700000000 ] - [ 0.0001941900000000, 0.0000145800000000, -0.0008623700000000 ] - [ -0.0005538000000000, 0.0003052700000000, -0.0007861400000000 ] - [ -0.0006985700000000, -0.0000970200000000, 0.0018953100000000 ] - [ 0.0010867100000000, -0.0000973300000000, 0.0008809200000000 ] - [ -0.0001877400000000, 0.0000162800000000, 0.0008399500000000 ] - [ 0.0004327400000000, -0.0001505200000000, 0.0005765100000000 ] - [ 0.0000983300000000, 0.0029643800000000, 0.0017539300000000 ] - [ -0.0003059000000000, -0.0001247100000000, -0.0000604100000000 ] - [ -0.0006997300000000, -0.0026110900000000, 0.0014131400000000 ] - [ 0.0005251600000000, -0.0001091100000000, 0.0002918000000000 ] - [ -0.0006987000000000, -0.0026353600000000, 0.0014162900000000 ] - [ 0.0005142900000000, -0.0001078200000000, 0.0002893600000000 ] - [ 0.0000981200000000, 0.0029794700000000, 0.0017566500000000 ] - [ -0.0003149800000000, -0.0001332400000000, -0.0000692900000000 ] - [ 0.0075372200000000, -0.0061057600000000, -0.0010602000000000 ] - [ -0.0014038300000000, -0.0011703900000000, -0.0000003000000000 ] - [ 0.0008379000000000, 0.0004468200000000, -0.0009752100000000 ] - [ -0.0010658700000000, 0.0019330300000000, -0.0001379600000000 ] - [ -0.0011281600000000, 0.0001985600000000, 0.0023364300000000 ] - [ 0.0013439600000000, 0.0005128600000000, 0.0009696500000000 ] - [ -0.0004699100000000, -0.0003676200000000, 0.0009661000000000 ] - [ 0.0005170900000000, -0.0007271100000000, 0.0008587100000000 ] - [ 0.0017181500000000, -0.0011920700000000, -0.0061099600000000 ] - [ -0.0179695400000000, 0.0059145900000000, 0.0019947800000000 ] - [ 0.0003574000000000, -0.0006879600000000, -0.0009992700000000 ] - [ -0.0001693200000000, -0.0004904400000000, -0.0010011600000000 ] - [ -0.0003583500000000, 0.0002847500000000, 0.0013582400000000 ] - [ 0.0004813500000000, -0.0004119900000000, 0.0029879400000000 ] - [ -0.0002702500000000, 0.0002649600000000, 0.0007998000000000 ] - [ 0.0002820300000000, 0.0005582000000000, 0.0009001800000000 ] - [ -0.0177629000000000, 0.0058664000000000, 0.0020806500000000 ] - [ 0.0018346300000000, -0.0011501600000000, -0.0060159400000000 ] - [ -0.0001413500000000, -0.0004731000000000, -0.0009243400000000 ] - [ 0.0003873400000000, -0.0006776800000000, -0.0009314800000000 ] - [ 0.0005212700000000, -0.0004039800000000, 0.0030713100000000 ] - [ -0.0003357700000000, 0.0002968300000000, 0.0014258500000000 ] - [ 0.0003123500000000, 0.0005773400000000, 0.0009724000000000 ] - [ -0.0002458900000000, 0.0002806800000000, 0.0008721100000000 ] - [ -0.0014268400000000, -0.0011536000000000, -0.0000640400000000 ] - [ 0.0075308700000000, -0.0061432500000000, -0.0010666000000000 ] - [ -0.0010886900000000, 0.0019403200000000, -0.0002079200000000 ] - [ 0.0008053500000000, 0.0004673900000000, -0.0010423900000000 ] - [ 0.0013284700000000, 0.0005345100000000, 0.0008948200000000 ] - [ -0.0011596300000000, 0.0002173200000000, 0.0022636400000000 ] - [ 0.0004954900000000, -0.0007047900000000, 0.0007730500000000 ] - [ -0.0005015600000000, -0.0003510600000000, 0.0008915800000000 ]- atom: 81 displacement: [ 0.0099999624241954, 0.0000000000000000, -0.0000274137680657 ] forces: - [ 0.0003623100000000, 0.0041266900000000, 0.0010229500000000 ] - [ -0.0013027200000000, -0.0007900600000000, -0.0001147200000000 ] - [ 0.0011222900000000, -0.0032773100000000, 0.0004798800000000 ] - [ -0.0014618100000000, 0.0011520900000000, 0.0000355400000000 ] - [ 0.0003561700000000, -0.0001353400000000, 0.0004135100000000 ] - [ -0.0002033500000000, -0.0000181300000000, -0.0002199500000000 ] - [ 0.0001894400000000, 0.0000137900000000, 0.0003602000000000 ] - [ -0.0001769400000000, -0.0000267000000000, -0.0001803000000000 ] - [ 0.0013102300000000, 0.0004348300000000, 0.0002019400000000 ] - [ -0.0006489500000000, -0.0000012500000000, 0.0000544000000000 ] - [ 0.0038403700000000, 0.0008586000000000, 0.0015561400000000 ] - [ -0.0013061800000000, 0.0001001500000000, 0.0002694000000000 ] - [ -0.0000973500000000, 0.0003669400000000, 0.0002150300000000 ] - [ -0.0000582900000000, -0.0001383900000000, -0.0002923200000000 ] - [ -0.0000234300000000, -0.0007820800000000, 0.0016042400000000 ] - [ -0.0000679300000000, 0.0004210600000000, -0.0014413000000000 ] - [ -0.0046240600000000, 0.0000298000000000, 0.0038896100000000 ] - [ -0.0047956600000000, -0.0004924800000000, -0.0040134400000000 ] - [ -0.0004231700000000, 0.0000170400000000, 0.0001766200000000 ] - [ 0.0000701900000000, 0.0003578200000000, 0.0001055600000000 ] - [ 0.0009040900000000, -0.0002626000000000, -0.0001247000000000 ] - [ -0.0005978700000000, 0.0000985000000000, 0.0003223500000000 ] - [ 0.0000780300000000, 0.0000727300000000, -0.0000854800000000 ] - [ -0.0000398100000000, 0.0000449900000000, -0.0000027600000000 ] - [ -0.0006697700000000, -0.0000719600000000, 0.0005910900000000 ] - [ 0.0006232400000000, -0.0000924100000000, -0.0010896700000000 ] - [ -0.0002588200000000, 0.0000977500000000, 0.0002008400000000 ] - [ 0.0002759500000000, -0.0000111600000000, -0.0001006800000000 ] - [ 0.0091173500000000, 0.0034490800000000, 0.0036630300000000 ] - [ -0.0020837400000000, 0.0012654500000000, 0.0006679700000000 ] - [ 0.0002926300000000, 0.0006382800000000, -0.0007067800000000 ] - [ -0.0003527500000000, -0.0005994700000000, 0.0001783900000000 ] - [ 0.0267035000000000, -0.0024630700000000, -0.0008426700000000 ] - [ -0.0023127300000000, 0.0000374900000000, -0.0000140000000000 ] - [ 0.0030906200000000, 0.0013264300000000, 0.0014264400000000 ] - [ -0.0015454100000000, -0.0003994700000000, -0.0003482100000000 ] - [ -0.0017762400000000, 0.0005738000000000, 0.0026410200000000 ] - [ 0.0000378700000000, -0.0003724600000000, -0.0011462800000000 ] - [ 0.0002060700000000, -0.0001541200000000, 0.0003230300000000 ] - [ -0.0000931100000000, 0.0002202500000000, -0.0004587200000000 ] - [ 0.0007288300000000, -0.0013942600000000, -0.0021676000000000 ] - [ -0.0005096900000000, 0.0006408500000000, 0.0004632200000000 ] - [ 0.0190588600000000, 0.0078100800000000, -0.0057410200000000 ] - [ -0.0079740000000000, -0.0017434500000000, -0.0021671400000000 ] - [ -0.0005353500000000, 0.0001929700000000, 0.0008077300000000 ] - [ 0.0005138500000000, 0.0003192000000000, -0.0008432100000000 ] - [ -0.0006415800000000, -0.0003923000000000, 0.0010836600000000 ] - [ 0.0005023800000000, 0.0001210100000000, -0.0008470900000000 ] - [ 0.0005117800000000, 0.0014612600000000, 0.0025888000000000 ] - [ -0.0005301600000000, -0.0000804800000000, -0.0009844900000000 ] - [ 0.0004676400000000, 0.0000989100000000, 0.0007430400000000 ] - [ -0.0005155600000000, 0.0004754000000000, -0.0004812300000000 ] - [ 0.0262247800000000, -0.0015256100000000, -0.0016858200000000 ] - [ -0.0078777400000000, -0.0025560200000000, -0.0009146100000000 ] - [ 0.0008181200000000, 0.0001939700000000, -0.0003843000000000 ] - [ -0.0008268800000000, 0.0000415000000000, -0.0000226300000000 ] - [ -0.0018246200000000, -0.0016825200000000, 0.0011608100000000 ] - [ -0.0043950900000000, 0.0009426600000000, -0.0006833200000000 ] - [ -0.0013699400000000, 0.0012164000000000, 0.0020726100000000 ] - [ -0.0000079400000000, -0.0010412700000000, -0.0006221600000000 ] - [ 0.0023928100000000, 0.0019459200000000, 0.0006236100000000 ] - [ -0.0010054000000000, -0.0005159900000000, -0.0004923700000000 ] - [ 0.0000331900000000, -0.0002410500000000, 0.0000047100000000 ] - [ -0.0004677400000000, -0.0001822100000000, -0.0000887200000000 ] - [ 0.0045274900000000, -0.0129135900000000, 0.0100886300000000 ] - [ 0.0025583700000000, 0.0005634900000000, -0.0004463800000000 ] - [ -0.0017072600000000, 0.0013174800000000, 0.0001631100000000 ] - [ 0.0018373000000000, -0.0006893200000000, -0.0003838800000000 ] - [ 0.0012759200000000, -0.0005252500000000, -0.0007056800000000 ] - [ -0.0012200200000000, 0.0003638200000000, 0.0009307500000000 ] - [ 0.0003177700000000, 0.0003094600000000, -0.0003934700000000 ] - [ -0.0004359900000000, -0.0000175400000000, 0.0003619400000000 ] - [ -0.0012389300000000, -0.0003675800000000, 0.0000093200000000 ] - [ 0.0007880900000000, 0.0002502500000000, -0.0000460500000000 ] - [ -0.0007583700000000, -0.0003092600000000, -0.0000034900000000 ] - [ 0.0006066800000000, -0.0000902100000000, -0.0000234700000000 ] - [ 0.0217556300000000, 0.0090560000000000, -0.0099854600000000 ] - [ 0.0223575200000000, -0.0067660500000000, 0.0115469900000000 ] - [ -0.0001743200000000, -0.0005858600000000, -0.0002414200000000 ] - [ 0.0006645100000000, 0.0004555000000000, 0.0006907100000000 ] - [ -0.1067699800000000, 0.0008191400000000, 0.0084060300000000 ] - [ 0.0048724000000000, -0.0001557300000000, -0.0001531400000000 ] - [ -0.0015426500000000, -0.0002500000000000, 0.0004919800000000 ] - [ 0.0008247300000000, -0.0000950000000000, -0.0000404800000000 ] - [ 0.0006054400000000, 0.0002204600000000, -0.0022482300000000 ] - [ -0.0000069500000000, -0.0000720600000000, 0.0010513500000000 ] - [ 0.0000784700000000, -0.0000120600000000, -0.0005219300000000 ] - [ -0.0000219200000000, -0.0003056400000000, 0.0006044700000000 ] - [ -0.0012847300000000, 0.0088762800000000, -0.0009170300000000 ] - [ 0.0019498500000000, -0.0005472500000000, -0.0003450600000000 ] - [ -0.0012779700000000, -0.0100357500000000, -0.0022157600000000 ] - [ 0.0019480300000000, 0.0017640900000000, 0.0012225600000000 ] - [ -0.0000350100000000, -0.0012061000000000, -0.0016264700000000 ] - [ 0.0000503300000000, 0.0002621300000000, 0.0006500700000000 ] - [ -0.0000286600000000, 0.0000352100000000, -0.0004964700000000 ] - [ 0.0000488000000000, -0.0000044200000000, 0.0003279000000000 ] - [ -0.0005487800000000, 0.0041764900000000, -0.0087054400000000 ] - [ 0.0019155000000000, 0.0001824400000000, 0.0006998100000000 ] - [ -0.0005131400000000, -0.0008678500000000, -0.0012789900000000 ] - [ 0.0005390400000000, 0.0001544400000000, 0.0002451200000000 ] - [ -0.0004943700000000, -0.0038755900000000, -0.0089923000000000 ] - [ 0.0019174700000000, 0.0015509200000000, 0.0016161300000000 ] - [ -0.0005064300000000, 0.0000709900000000, -0.0000962100000000 ] - [ 0.0005380000000000, -0.0000371700000000, 0.0004762500000000 ] - [ 0.0005070700000000, 0.0009447300000000, -0.0012738000000000 ] - [ 0.0011830100000000, -0.0017393600000000, 0.0015227200000000 ] - [ 0.0005758600000000, -0.0004119800000000, -0.0021856700000000 ] - [ 0.0003484700000000, 0.0005095400000000, 0.0013854000000000 ] - [ -0.0011494100000000, -0.0006086600000000, 0.0007429300000000 ] - [ 0.0006415300000000, -0.0000374500000000, -0.0001055200000000 ] - [ -0.0083122200000000, 0.0009807900000000, -0.0002070100000000 ] - [ 0.0063630600000000, -0.0000569700000000, -0.0002350100000000 ]- atom: 81 displacement: [ -0.0099999624241954, 0.0000000000000000, 0.0000274137680657 ] forces: - [ -0.0004214100000000, -0.0041083500000000, -0.0010096200000000 ] - [ 0.0012737600000000, 0.0007941000000000, 0.0001256500000000 ] - [ -0.0011684100000000, 0.0032970600000000, -0.0004730600000000 ] - [ 0.0014331400000000, -0.0011290800000000, -0.0000248900000000 ] - [ -0.0003905600000000, 0.0001515600000000, -0.0004095300000000 ] - [ 0.0001724000000000, 0.0000303400000000, 0.0002294500000000 ] - [ -0.0002214700000000, -0.0000002600000000, -0.0003523000000000 ] - [ 0.0001477200000000, 0.0000408800000000, 0.0001916200000000 ] - [ -0.0013446600000000, -0.0004445900000000, -0.0001964800000000 ] - [ 0.0006206200000000, -0.0000174300000000, -0.0000434100000000 ] - [ -0.0038534200000000, -0.0008555400000000, -0.0015166800000000 ] - [ 0.0012733300000000, -0.0001151500000000, -0.0002544300000000 ] - [ 0.0000637000000000, -0.0003841300000000, -0.0002066900000000 ] - [ 0.0000291800000000, 0.0001202700000000, 0.0003029400000000 ] - [ -0.0000163800000000, 0.0007643900000000, -0.0016011800000000 ] - [ 0.0000439300000000, -0.0004373300000000, 0.0014459100000000 ] - [ 0.0047658400000000, -0.0000246900000000, -0.0039222500000000 ] - [ 0.0047287700000000, 0.0005039600000000, 0.0039900300000000 ] - [ 0.0004580400000000, 0.0000051500000000, -0.0001864600000000 ] - [ -0.0000407300000000, -0.0003378400000000, -0.0001143800000000 ] - [ -0.0008672300000000, 0.0002806500000000, 0.0001193600000000 ] - [ 0.0006282600000000, -0.0000832400000000, -0.0003398500000000 ] - [ -0.0000453600000000, -0.0000547800000000, 0.0000778700000000 ] - [ 0.0000709900000000, -0.0000273700000000, -0.0000074900000000 ] - [ 0.0007061100000000, 0.0000569700000000, -0.0005986700000000 ] - [ -0.0005969600000000, 0.0000787600000000, 0.0010745300000000 ] - [ 0.0002916000000000, -0.0001096300000000, -0.0002089300000000 ] - [ -0.0002459000000000, -0.0000012800000000, 0.0000899400000000 ] - [ -0.0088762400000000, -0.0032340100000000, -0.0033967400000000 ] - [ 0.0021197700000000, -0.0012884600000000, -0.0006850100000000 ] - [ -0.0002571200000000, -0.0006509700000000, 0.0006982300000000 ] - [ 0.0003831000000000, 0.0005925800000000, -0.0001888900000000 ] - [ -0.0267138800000000, 0.0024355600000000, 0.0009052500000000 ] - [ 0.0022967700000000, -0.0000164700000000, 0.0000301000000000 ] - [ -0.0031127700000000, -0.0012961300000000, -0.0014216600000000 ] - [ 0.0015320800000000, 0.0004367300000000, 0.0003609900000000 ] - [ 0.0017486100000000, -0.0005416500000000, -0.0026219900000000 ] - [ -0.0000483300000000, 0.0004002800000000, 0.0011469400000000 ] - [ -0.0002289400000000, 0.0001883200000000, -0.0003161200000000 ] - [ 0.0000816400000000, -0.0001870300000000, 0.0004669200000000 ] - [ -0.0007135000000000, 0.0014416200000000, 0.0021712700000000 ] - [ 0.0005235200000000, -0.0006107800000000, -0.0004728000000000 ] - [ -0.0185793400000000, -0.0084623200000000, 0.0060843500000000 ] - [ 0.0080107400000000, 0.0017813100000000, 0.0021753900000000 ] - [ 0.0005548200000000, -0.0001584200000000, -0.0008180500000000 ] - [ -0.0004980800000000, -0.0002885200000000, 0.0008319500000000 ] - [ 0.0006582600000000, 0.0004219600000000, -0.0010879600000000 ] - [ -0.0004946100000000, -0.0000934200000000, 0.0008380800000000 ] - [ -0.0005225200000000, -0.0015084200000000, -0.0025896500000000 ] - [ 0.0005170900000000, 0.0000461000000000, 0.0009959500000000 ] - [ -0.0004866700000000, -0.0001273800000000, -0.0007367200000000 ] - [ 0.0004999800000000, -0.0005036100000000, 0.0004897400000000 ] - [ -0.0269063000000000, 0.0012548500000000, 0.0028322500000000 ] - [ 0.0078427500000000, 0.0025064600000000, 0.0009208400000000 ] - [ -0.0008390300000000, -0.0002247300000000, 0.0003914600000000 ] - [ 0.0008172300000000, -0.0000707400000000, 0.0000308300000000 ] - [ 0.0018657300000000, 0.0016448000000000, -0.0011696800000000 ] - [ 0.0043901600000000, -0.0009750200000000, 0.0006754300000000 ] - [ 0.0013941600000000, -0.0012415100000000, -0.0020849600000000 ] - [ 0.0000206300000000, 0.0010178100000000, 0.0006192200000000 ] - [ -0.0023689400000000, -0.0019739800000000, -0.0006233300000000 ] - [ 0.0010162600000000, 0.0004797300000000, 0.0004797500000000 ] - [ -0.0000178900000000, 0.0001858200000000, 0.0000052700000000 ] - [ 0.0004844100000000, 0.0001616100000000, 0.0000715100000000 ] - [ -0.0044899200000000, 0.0129923300000000, -0.0101633400000000 ] - [ -0.0025704700000000, -0.0005487800000000, 0.0004379800000000 ] - [ 0.0017158800000000, -0.0013209000000000, -0.0001660100000000 ] - [ -0.0018455800000000, 0.0006832700000000, 0.0003820700000000 ] - [ -0.0012652800000000, 0.0005263800000000, 0.0007101200000000 ] - [ 0.0012120500000000, -0.0003604900000000, -0.0009301900000000 ] - [ -0.0003133000000000, -0.0003149000000000, 0.0004009400000000 ] - [ 0.0004254600000000, 0.0000217800000000, -0.0003659800000000 ] - [ 0.0012444700000000, 0.0003712500000000, -0.0000005200000000 ] - [ -0.0007910000000000, -0.0002494000000000, 0.0000419500000000 ] - [ 0.0007610700000000, 0.0003074500000000, 0.0000054700000000 ] - [ -0.0006100700000000, 0.0000892000000000, 0.0000208500000000 ] - [ -0.0220136100000000, -0.0091932900000000, 0.0101683900000000 ] - [ -0.0220913400000000, 0.0066339600000000, -0.0113686500000000 ] - [ 0.0001795300000000, 0.0005840100000000, 0.0002419800000000 ] - [ -0.0006745900000000, -0.0004625600000000, -0.0006994200000000 ] - [ 0.1068291900000000, 0.0000598000000000, -0.0103345300000000 ] - [ -0.0048446500000000, 0.0001501800000000, 0.0002170100000000 ] - [ 0.0015740500000000, 0.0002282600000000, -0.0004193800000000 ] - [ -0.0007997400000000, 0.0000761500000000, 0.0001114400000000 ] - [ -0.0005774200000000, -0.0002307000000000, 0.0023208700000000 ] - [ 0.0000345400000000, 0.0000565200000000, -0.0009751100000000 ] - [ -0.0000482000000000, -0.0000075300000000, 0.0005978400000000 ] - [ 0.0000478200000000, 0.0002890500000000, -0.0005321600000000 ] - [ 0.0011935100000000, -0.0089108600000000, 0.0008552500000000 ] - [ -0.0019708700000000, 0.0005359900000000, 0.0002698700000000 ] - [ 0.0012080800000000, 0.0100081500000000, 0.0021467100000000 ] - [ -0.0019805600000000, -0.0017943300000000, -0.0013091300000000 ] - [ 0.0000061000000000, 0.0011871700000000, 0.0015509600000000 ] - [ -0.0000775600000000, -0.0002751000000000, -0.0007184700000000 ] - [ 0.0000056200000000, -0.0000479300000000, 0.0004187100000000 ] - [ -0.0000771900000000, -0.0000126600000000, -0.0003953100000000 ] - [ 0.0005266700000000, -0.0041555200000000, 0.0087711300000000 ] - [ -0.0018841300000000, -0.0001595200000000, -0.0006289900000000 ] - [ 0.0005414300000000, 0.0008819400000000, 0.0013533400000000 ] - [ -0.0005117600000000, -0.0001436500000000, -0.0001774200000000 ] - [ 0.0005827500000000, 0.0038900100000000, 0.0090460100000000 ] - [ -0.0018871900000000, -0.0015205200000000, -0.0015327000000000 ] - [ 0.0005408500000000, -0.0000507900000000, 0.0001681600000000 ] - [ -0.0005140100000000, 0.0000469300000000, -0.0004018200000000 ] - [ -0.0005407600000000, -0.0009367800000000, 0.0012103600000000 ] - [ -0.0012086400000000, 0.0017542500000000, -0.0015947200000000 ] - [ -0.0006082100000000, 0.0004277600000000, 0.0021044700000000 ] - [ -0.0003747800000000, -0.0004960400000000, -0.0014646500000000 ] - [ 0.0011225500000000, 0.0006198800000000, -0.0008204700000000 ] - [ -0.0006688000000000, 0.0000547500000000, 0.0000328500000000 ] - [ 0.0082924300000000, -0.0008804100000000, 0.0000478600000000 ] - [ -0.0063928400000000, 0.0000608900000000, 0.0001772100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0038996200000000, -0.0047389100000000, -0.0027195800000000 ] - [ -0.0013868500000000, 0.0002881500000000, -0.0007726100000000 ] - [ -0.0032718000000000, -0.0045186400000000, 0.0010396100000000 ] - [ 0.0014182800000000, -0.0006616400000000, 0.0003645000000000 ] - [ -0.0000679500000000, -0.0002810000000000, 0.0010087200000000 ] - [ 0.0000158500000000, 0.0000592300000000, 0.0002910400000000 ] - [ -0.0001369300000000, -0.0000108200000000, -0.0003445800000000 ] - [ 0.0002066000000000, -0.0000973300000000, 0.0003343100000000 ] - [ 0.0002396600000000, -0.0027203000000000, 0.0010544000000000 ] - [ -0.0001516700000000, -0.0007004300000000, 0.0000588800000000 ] - [ -0.0001222300000000, 0.0085677100000000, 0.0035118600000000 ] - [ 0.0002653800000000, 0.0006119000000000, -0.0003258000000000 ] - [ 0.0001838600000000, -0.0006565400000000, -0.0001434500000000 ] - [ -0.0002473700000000, -0.0004841800000000, -0.0002603400000000 ] - [ -0.0009728100000000, 0.0006328300000000, 0.0010048200000000 ] - [ 0.0012042100000000, 0.0004371300000000, 0.0011311400000000 ] - [ 0.0000796200000000, 0.0041916700000000, -0.0010691000000000 ] - [ 0.0000549500000000, 0.0041729800000000, -0.0007128800000000 ] - [ -0.0001857000000000, -0.0026093100000000, 0.0000483600000000 ] - [ 0.0001325600000000, -0.0014368800000000, -0.0000740800000000 ] - [ -0.0001355200000000, 0.0019384100000000, 0.0007569800000000 ] - [ 0.0000694200000000, 0.0005785800000000, 0.0004715600000000 ] - [ 0.0000028000000000, -0.0009110500000000, 0.0000271600000000 ] - [ 0.0000052500000000, -0.0004584200000000, 0.0000554500000000 ] - [ -0.0004518300000000, 0.0005332000000000, 0.0003697400000000 ] - [ 0.0005408800000000, 0.0008666100000000, 0.0014831500000000 ] - [ 0.0001201500000000, -0.0005943800000000, -0.0000574900000000 ] - [ -0.0001744600000000, -0.0005569500000000, -0.0003306300000000 ] - [ 0.0040181700000000, 0.0084969200000000, 0.0027667000000000 ] - [ 0.0009657100000000, 0.0010403700000000, -0.0003981600000000 ] - [ 0.0006073500000000, -0.0023738800000000, 0.0007385000000000 ] - [ -0.0002637600000000, -0.0007274300000000, 0.0000160400000000 ] - [ -0.0022661500000000, 0.0255879600000000, -0.0005415600000000 ] - [ -0.0003439300000000, 0.0018160000000000, -0.0010990400000000 ] - [ -0.0028977200000000, -0.0058546000000000, -0.0017000700000000 ] - [ 0.0006855300000000, -0.0013065700000000, 0.0003168100000000 ] - [ 0.0015701200000000, 0.0002243500000000, -0.0013090800000000 ] - [ -0.0005652000000000, 0.0010332700000000, 0.0001909400000000 ] - [ -0.0006455100000000, -0.0011002800000000, 0.0004825400000000 ] - [ 0.0011592500000000, -0.0009775700000000, 0.0005541700000000 ] - [ 0.0006541800000000, -0.0061676800000000, -0.0041611100000000 ] - [ 0.0003683600000000, -0.0011230400000000, -0.0004712000000000 ] - [ 0.0085282200000000, 0.0132192300000000, 0.0039223800000000 ] - [ -0.0017099200000000, -0.0003822200000000, -0.0010647800000000 ] - [ -0.0003804800000000, -0.0011252300000000, 0.0006992200000000 ] - [ -0.0001165800000000, -0.0009480400000000, 0.0011230000000000 ] - [ -0.0000288100000000, 0.0016443500000000, 0.0000328600000000 ] - [ 0.0002209900000000, 0.0007559900000000, -0.0001169800000000 ] - [ -0.0001244000000000, 0.0041252300000000, 0.0011593300000000 ] - [ 0.0000659300000000, 0.0016266700000000, 0.0006352100000000 ] - [ 0.0001482100000000, -0.0025299200000000, -0.0001165800000000 ] - [ 0.0003226500000000, -0.0017621000000000, 0.0002391800000000 ] - [ 0.0002381500000000, 0.0278225800000000, -0.0036320300000000 ] - [ 0.0024249900000000, 0.0022453400000000, 0.0004449400000000 ] - [ 0.0001932300000000, -0.0025087600000000, -0.0003541200000000 ] - [ -0.0007848300000000, -0.0012347500000000, -0.0003293500000000 ] - [ -0.0043693500000000, 0.0001725300000000, 0.0043101700000000 ] - [ 0.0065076200000000, -0.0013845100000000, 0.0008503500000000 ] - [ 0.0033518000000000, -0.0005755400000000, -0.0056167900000000 ] - [ -0.0014281900000000, 0.0000376100000000, -0.0009817300000000 ] - [ -0.0007100900000000, -0.0008469500000000, -0.0014492000000000 ] - [ 0.0003217100000000, 0.0003438000000000, 0.0004041600000000 ] - [ -0.0008092100000000, -0.0060662800000000, 0.0034797400000000 ] - [ -0.0000883300000000, -0.0005954200000000, 0.0003745000000000 ] - [ -0.0146391500000000, 0.0114784400000000, -0.0129711800000000 ] - [ 0.0026101300000000, -0.0012698600000000, -0.0001509600000000 ] - [ 0.0020449000000000, 0.0024859100000000, 0.0013713100000000 ] - [ -0.0024709100000000, 0.0012110300000000, 0.0010438100000000 ] - [ -0.0008618800000000, -0.0002219500000000, -0.0001470100000000 ] - [ 0.0009174000000000, -0.0006746300000000, 0.0009626300000000 ] - [ 0.0003125800000000, 0.0006055700000000, -0.0002596400000000 ] - [ -0.0019728400000000, 0.0026320600000000, -0.0016249900000000 ] - [ -0.0005138900000000, -0.0020539600000000, 0.0002230900000000 ] - [ -0.0003505000000000, -0.0012937100000000, -0.0004682500000000 ] - [ 0.0003111200000000, 0.0016031900000000, -0.0004868300000000 ] - [ 0.0001540400000000, 0.0011223500000000, -0.0002322900000000 ] - [ 0.0082229200000000, -0.0039322300000000, -0.0029112600000000 ] - [ -0.0095563600000000, -0.0045620700000000, -0.0028088100000000 ] - [ -0.0001270600000000, 0.0017291900000000, 0.0004729100000000 ] - [ 0.0017053700000000, 0.0030404700000000, 0.0014765800000000 ] - [ -0.0001983200000000, -0.1299566800000000, 0.0362550900000000 ] - [ -0.0001326500000000, -0.0020228100000000, 0.0015526800000000 ] - [ -0.0002317400000000, 0.0055710400000000, -0.0003950700000000 ] - [ -0.0000707300000000, 0.0014768800000000, -0.0003304900000000 ] - [ 0.0002399000000000, -0.0021131400000000, 0.0001196000000000 ] - [ -0.0000509600000000, -0.0012128200000000, -0.0002824700000000 ] - [ 0.0000108900000000, 0.0017456400000000, -0.0006719100000000 ] - [ -0.0002862100000000, 0.0014877400000000, -0.0008731200000000 ] - [ 0.0100782100000000, 0.0194819600000000, -0.0038762300000000 ] - [ -0.0017917900000000, 0.0004786400000000, 0.0010312000000000 ] - [ -0.0088170600000000, 0.0192446100000000, 0.0058168500000000 ] - [ 0.0005307300000000, 0.0004877000000000, 0.0003483500000000 ] - [ -0.0000540800000000, 0.0007724300000000, 0.0006202500000000 ] - [ -0.0000199500000000, -0.0000573300000000, -0.0007123300000000 ] - [ 0.0011762200000000, 0.0007801300000000, -0.0021658600000000 ] - [ -0.0002833500000000, -0.0000523800000000, -0.0004490600000000 ] - [ 0.0038766200000000, -0.0022640400000000, -0.0080627400000000 ] - [ -0.0015250900000000, -0.0017900000000000, -0.0008091500000000 ] - [ -0.0000392100000000, 0.0032044100000000, 0.0030611900000000 ] - [ 0.0000570300000000, 0.0013514500000000, 0.0006881400000000 ] - [ -0.0041188300000000, -0.0022733100000000, 0.0090810100000000 ] - [ -0.0001592600000000, -0.0017928000000000, -0.0007342900000000 ] - [ 0.0008890400000000, 0.0032120400000000, 0.0000216800000000 ] - [ -0.0001319600000000, 0.0013545500000000, 0.0002618800000000 ] - [ 0.0009231400000000, 0.0023912600000000, -0.0025520600000000 ] - [ -0.0017692700000000, 0.0028939800000000, -0.0020302600000000 ] - [ -0.0004270900000000, -0.0022891600000000, 0.0019609000000000 ] - [ 0.0004911400000000, -0.0010388500000000, 0.0006827900000000 ] - [ -0.0006279900000000, 0.0024511200000000, 0.0013963000000000 ] - [ -0.0000586000000000, 0.0004454300000000, 0.0001673200000000 ] - [ 0.0008547500000000, 0.0138016300000000, -0.0275256200000000 ] - [ -0.0000731200000000, 0.0002878400000000, -0.0006837600000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0039116800000000, 0.0047615400000000, 0.0027107100000000 ] - [ 0.0013473700000000, -0.0002688200000000, 0.0007775300000000 ] - [ 0.0032655900000000, 0.0045431300000000, -0.0010460400000000 ] - [ -0.0014567100000000, 0.0006660700000000, -0.0003595300000000 ] - [ 0.0000353000000000, 0.0002968900000000, -0.0009937000000000 ] - [ -0.0000460400000000, -0.0000441800000000, -0.0002772500000000 ] - [ 0.0001054100000000, 0.0000225600000000, 0.0003596100000000 ] - [ -0.0002394000000000, 0.0001098600000000, -0.0003225000000000 ] - [ -0.0002664000000000, 0.0026968900000000, -0.0010342200000000 ] - [ 0.0001165600000000, 0.0006832000000000, -0.0000469900000000 ] - [ 0.0000500000000000, -0.0087637600000000, -0.0038036700000000 ] - [ -0.0002983900000000, -0.0006313200000000, 0.0003336300000000 ] - [ -0.0002148400000000, 0.0006424300000000, 0.0001538200000000 ] - [ 0.0002143500000000, 0.0004679200000000, 0.0002686500000000 ] - [ 0.0009410500000000, -0.0006554100000000, -0.0009843100000000 ] - [ -0.0012373000000000, -0.0004570300000000, -0.0011132000000000 ] - [ -0.0000341200000000, -0.0041701500000000, 0.0010397100000000 ] - [ -0.0000470400000000, -0.0041545500000000, 0.0006797800000000 ] - [ 0.0002103800000000, 0.0026239000000000, -0.0000564700000000 ] - [ -0.0000967900000000, 0.0014533400000000, 0.0000613800000000 ] - [ 0.0001702900000000, -0.0019221400000000, -0.0007547900000000 ] - [ -0.0000391700000000, -0.0005598300000000, -0.0004779000000000 ] - [ 0.0000290900000000, 0.0009285100000000, -0.0000401900000000 ] - [ 0.0000262600000000, 0.0004761900000000, -0.0000664100000000 ] - [ 0.0004838000000000, -0.0005439800000000, -0.0003777200000000 ] - [ -0.0005091500000000, -0.0008765700000000, -0.0014945600000000 ] - [ -0.0000900000000000, 0.0005800300000000, 0.0000486800000000 ] - [ 0.0002082300000000, 0.0005423500000000, 0.0003228800000000 ] - [ -0.0037839100000000, -0.0083893000000000, -0.0025938200000000 ] - [ -0.0009378900000000, -0.0010418000000000, 0.0003845400000000 ] - [ -0.0005770300000000, 0.0023588300000000, -0.0007588100000000 ] - [ 0.0002963300000000, 0.0007095300000000, -0.0000289100000000 ] - [ 0.0023221500000000, -0.0238403700000000, -0.0010090800000000 ] - [ 0.0003234400000000, -0.0017724600000000, 0.0010989800000000 ] - [ 0.0028959200000000, 0.0058966600000000, 0.0017191800000000 ] - [ -0.0007093300000000, 0.0013321200000000, -0.0003124100000000 ] - [ -0.0015999800000000, -0.0001900500000000, 0.0013417800000000 ] - [ 0.0005495800000000, -0.0009980300000000, -0.0001789200000000 ] - [ 0.0006322200000000, 0.0011286300000000, -0.0004726000000000 ] - [ -0.0011756000000000, 0.0010047500000000, -0.0005453100000000 ] - [ -0.0006342200000000, 0.0061781000000000, 0.0041219700000000 ] - [ -0.0003499900000000, 0.0011554800000000, 0.0004609500000000 ] - [ -0.0075837200000000, -0.0145166300000000, -0.0032732000000000 ] - [ 0.0016941200000000, 0.0004029700000000, 0.0010366800000000 ] - [ 0.0003933600000000, 0.0011605900000000, -0.0007002600000000 ] - [ 0.0001346400000000, 0.0009806500000000, -0.0011268500000000 ] - [ 0.0000453600000000, -0.0016165400000000, -0.0000377200000000 ] - [ -0.0002040500000000, -0.0007255400000000, 0.0001099500000000 ] - [ 0.0001101500000000, -0.0041586100000000, -0.0011479100000000 ] - [ -0.0000834600000000, -0.0016569700000000, -0.0006254700000000 ] - [ -0.0001641100000000, 0.0024999800000000, 0.0001324000000000 ] - [ -0.0003382400000000, 0.0017301300000000, -0.0002298400000000 ] - [ -0.0002637700000000, -0.0278457800000000, 0.0036347900000000 ] - [ -0.0024209400000000, -0.0022545400000000, -0.0004322500000000 ] - [ -0.0002030800000000, 0.0024739000000000, 0.0003528700000000 ] - [ 0.0007604000000000, 0.0011999100000000, 0.0003316900000000 ] - [ 0.0043677400000000, -0.0001831000000000, -0.0042836300000000 ] - [ -0.0064827800000000, 0.0013525800000000, -0.0008620700000000 ] - [ -0.0033496000000000, 0.0005339900000000, 0.0056316000000000 ] - [ 0.0014563200000000, -0.0000762100000000, 0.0009707200000000 ] - [ 0.0007393700000000, 0.0008400800000000, 0.0014392100000000 ] - [ -0.0003083000000000, -0.0003672000000000, -0.0004120500000000 ] - [ 0.0008262000000000, 0.0060205400000000, -0.0034631800000000 ] - [ 0.0001034800000000, 0.0005530100000000, -0.0003755500000000 ] - [ 0.0145213300000000, -0.0114286800000000, 0.0128267600000000 ] - [ -0.0025948700000000, 0.0012578500000000, 0.0001486200000000 ] - [ -0.0020601100000000, -0.0024881000000000, -0.0013799200000000 ] - [ 0.0024890900000000, -0.0012082000000000, -0.0010470300000000 ] - [ 0.0008700300000000, 0.0002145200000000, 0.0001423200000000 ] - [ -0.0009216000000000, 0.0006671500000000, -0.0009645600000000 ] - [ -0.0003147100000000, -0.0005966000000000, 0.0002545100000000 ] - [ 0.0019714600000000, -0.0026261300000000, 0.0016211400000000 ] - [ 0.0005123900000000, 0.0020552600000000, -0.0002258300000000 ] - [ 0.0003510500000000, 0.0012949800000000, 0.0004665900000000 ] - [ -0.0003138800000000, -0.0016044200000000, 0.0004809300000000 ] - [ -0.0001535400000000, -0.0011232300000000, 0.0002291400000000 ] - [ -0.0081461100000000, 0.0040104600000000, 0.0028980700000000 ] - [ 0.0094576600000000, 0.0046194500000000, 0.0027771700000000 ] - [ 0.0001194700000000, -0.0017278500000000, -0.0004701100000000 ] - [ -0.0016907800000000, -0.0030311200000000, -0.0014617100000000 ] - [ -0.0011659500000000, 0.1294117500000000, -0.0350217600000000 ] - [ 0.0001652400000000, 0.0019963500000000, -0.0014665200000000 ] - [ 0.0002485800000000, -0.0055821200000000, 0.0004763300000000 ] - [ 0.0001014800000000, -0.0014899000000000, 0.0004021500000000 ] - [ -0.0002115800000000, 0.0021006100000000, -0.0000591200000000 ] - [ 0.0000805100000000, 0.0011959200000000, 0.0003552400000000 ] - [ 0.0000190800000000, -0.0017607000000000, 0.0007412400000000 ] - [ 0.0003134600000000, -0.0015001700000000, 0.0009420700000000 ] - [ -0.0099473700000000, -0.0192423600000000, 0.0037295500000000 ] - [ 0.0017605000000000, -0.0004964200000000, -0.0010969800000000 ] - [ 0.0089397500000000, -0.0194794900000000, -0.0059448700000000 ] - [ -0.0005562900000000, -0.0004877300000000, -0.0004120100000000 ] - [ 0.0000254200000000, -0.0008014700000000, -0.0007075700000000 ] - [ -0.0000077500000000, 0.0000370300000000, 0.0006334600000000 ] - [ -0.0012062100000000, -0.0007936600000000, 0.0020939900000000 ] - [ 0.0002562400000000, 0.0000416500000000, 0.0003725900000000 ] - [ -0.0038445600000000, 0.0022438100000000, 0.0081197900000000 ] - [ 0.0015499400000000, 0.0017997300000000, 0.0008868500000000 ] - [ 0.0000663700000000, -0.0031928000000000, -0.0030057000000000 ] - [ -0.0000294100000000, -0.0013324200000000, -0.0006139200000000 ] - [ 0.0041641400000000, 0.0022342800000000, -0.0090332100000000 ] - [ 0.0001864200000000, 0.0017973500000000, 0.0008012300000000 ] - [ -0.0008605600000000, -0.0031847800000000, 0.0000570600000000 ] - [ 0.0001648900000000, -0.0013294300000000, -0.0001830400000000 ] - [ -0.0009449300000000, -0.0023769500000000, 0.0024600900000000 ] - [ 0.0017354200000000, -0.0028726300000000, 0.0019498600000000 ] - [ 0.0004022300000000, 0.0023128300000000, -0.0020420500000000 ] - [ -0.0005189400000000, 0.0010589300000000, -0.0007528500000000 ] - [ 0.0005931500000000, -0.0024383700000000, -0.0014530400000000 ] - [ 0.0000329300000000, -0.0004339100000000, -0.0002364100000000 ] - [ -0.0008545700000000, -0.0137844200000000, 0.0277078000000000 ] - [ 0.0000480900000000, -0.0002621800000000, 0.0005992100000000 ]- atom: 81 displacement: [ -0.0039331809669210, 0.0000000000000000, 0.0091940245530154 ] forces: - [ 0.0004200700000000, -0.0031913000000000, 0.0027792000000000 ] - [ 0.0005189100000000, -0.0001033100000000, 0.0009045200000000 ] - [ 0.0003051400000000, 0.0029892000000000, 0.0022676300000000 ] - [ 0.0004822600000000, 0.0001321300000000, 0.0006225800000000 ] - [ -0.0000360100000000, 0.0007466000000000, -0.0019367000000000 ] - [ -0.0002477500000000, -0.0000169200000000, -0.0007080000000000 ] - [ 0.0002666300000000, -0.0004395300000000, -0.0010006000000000 ] - [ -0.0002977100000000, -0.0000056300000000, -0.0006965400000000 ] - [ -0.0004716600000000, 0.0013565500000000, -0.0000909200000000 ] - [ 0.0002872900000000, 0.0002970900000000, 0.0000045800000000 ] - [ -0.0012380100000000, 0.0036391000000000, 0.0082010700000000 ] - [ 0.0006745000000000, -0.0003065300000000, 0.0003333200000000 ] - [ 0.0004656200000000, -0.0005941800000000, -0.0002920600000000 ] - [ -0.0002879600000000, -0.0000869300000000, 0.0000781200000000 ] - [ 0.0017409200000000, 0.0008608000000000, -0.0022801700000000 ] - [ -0.0016127100000000, -0.0000370200000000, -0.0007243600000000 ] - [ 0.0059165000000000, -0.0009378900000000, 0.0004349600000000 ] - [ -0.0019699100000000, -0.0007627500000000, 0.0034868700000000 ] - [ 0.0004622700000000, 0.0003857700000000, 0.0000891900000000 ] - [ -0.0002953600000000, 0.0004734600000000, 0.0002985000000000 ] - [ -0.0010130900000000, -0.0002789400000000, -0.0029748400000000 ] - [ 0.0004236800000000, -0.0000652600000000, -0.0011936100000000 ] - [ -0.0001063000000000, 0.0002331700000000, -0.0003322000000000 ] - [ 0.0001153400000000, 0.0000863700000000, -0.0002745900000000 ] - [ 0.0014347000000000, 0.0000085400000000, -0.0015255600000000 ] - [ -0.0015674500000000, 0.0003367400000000, -0.0018072800000000 ] - [ 0.0003191300000000, 0.0000212300000000, -0.0006177600000000 ] - [ -0.0002444300000000, -0.0001234400000000, -0.0003600500000000 ] - [ 0.0010257900000000, 0.0014388300000000, 0.0067899700000000 ] - [ 0.0017928800000000, -0.0013175000000000, 0.0006501500000000 ] - [ -0.0006538900000000, 0.0009885700000000, 0.0012118200000000 ] - [ 0.0004496800000000, 0.0007197200000000, 0.0002156800000000 ] - [ -0.0113927600000000, 0.0028979800000000, 0.0223857900000000 ] - [ 0.0012823400000000, -0.0011977200000000, 0.0012348000000000 ] - [ -0.0012771300000000, -0.0008867200000000, -0.0002094600000000 ] - [ 0.0008876600000000, 0.0005565000000000, 0.0005503900000000 ] - [ 0.0040484700000000, -0.0005371500000000, -0.0062239100000000 ] - [ -0.0012406500000000, 0.0003039700000000, -0.0008240000000000 ] - [ 0.0007643300000000, 0.0008241100000000, -0.0009656400000000 ] - [ -0.0014845500000000, 0.0003953200000000, -0.0005432300000000 ] - [ -0.0007837400000000, 0.0017425400000000, 0.0035527600000000 ] - [ 0.0003332500000000, 0.0003059300000000, 0.0006620700000000 ] - [ -0.0122075600000000, -0.0005010600000000, 0.0253409200000000 ] - [ 0.0057222700000000, 0.0016123000000000, 0.0026589700000000 ] - [ 0.0007861600000000, -0.0004014700000000, -0.0021191300000000 ] - [ -0.0003967400000000, 0.0002224700000000, -0.0010041300000000 ] - [ 0.0011735400000000, -0.0004773800000000, -0.0027731700000000 ] - [ -0.0018721100000000, -0.0006220700000000, -0.0012510500000000 ] - [ 0.0017342900000000, -0.0043360100000000, -0.0064006600000000 ] - [ -0.0004169500000000, -0.0001916000000000, -0.0008099100000000 ] - [ -0.0000200700000000, 0.0006079200000000, -0.0013095700000000 ] - [ -0.0003113600000000, 0.0005646700000000, -0.0005552200000000 ] - [ -0.0129111900000000, -0.0017446900000000, 0.0289697400000000 ] - [ 0.0010878100000000, -0.0004432900000000, 0.0001955000000000 ] - [ -0.0002795200000000, 0.0004607600000000, 0.0019332700000000 ] - [ 0.0004881900000000, 0.0002525200000000, 0.0005200700000000 ] - [ 0.0042205600000000, 0.0047138100000000, 0.0011944300000000 ] - [ -0.0034270600000000, 0.0005724800000000, -0.0005255600000000 ] - [ 0.0012745900000000, -0.0015410500000000, -0.0002895700000000 ] - [ -0.0010329500000000, 0.0000252600000000, 0.0010797600000000 ] - [ -0.0028740200000000, -0.0047803400000000, -0.0022451600000000 ] - [ 0.0008687400000000, -0.0005841900000000, -0.0000922400000000 ] - [ 0.0005498500000000, 0.0065133800000000, -0.0050157300000000 ] - [ 0.0005234700000000, 0.0004821400000000, -0.0007975300000000 ] - [ 0.0093336500000000, -0.0073641100000000, -0.0002704800000000 ] - [ -0.0033160100000000, -0.0003069900000000, -0.0008414800000000 ] - [ 0.0013954600000000, 0.0005041400000000, -0.0007614400000000 ] - [ -0.0013841400000000, 0.0003022300000000, -0.0002958300000000 ] - [ -0.0025011400000000, 0.0009589700000000, 0.0017234800000000 ] - [ 0.0022827100000000, 0.0009239500000000, 0.0013321100000000 ] - [ -0.0007565700000000, -0.0004906500000000, 0.0008123800000000 ] - [ 0.0026962300000000, -0.0025838300000000, 0.0017511400000000 ] - [ 0.0014944400000000, 0.0016346300000000, 0.0034525200000000 ] - [ -0.0001738300000000, 0.0002887300000000, 0.0014667500000000 ] - [ 0.0003739700000000, -0.0005034300000000, 0.0009712000000000 ] - [ -0.0000131600000000, -0.0000630200000000, 0.0009409900000000 ] - [ -0.0191591300000000, -0.0064111000000000, 0.0014995700000000 ] - [ 0.0005601800000000, 0.0011152700000000, -0.0065830200000000 ] - [ -0.0003141300000000, -0.0001972100000000, -0.0010332300000000 ] - [ -0.0006183200000000, -0.0008061000000000, -0.0013916100000000 ] - [ 0.0515728600000000, 0.0325054100000000, -0.1392120700000000 ] - [ -0.0020803000000000, 0.0014364700000000, -0.0018177100000000 ] - [ 0.0010438500000000, -0.0003103200000000, -0.0016758000000000 ] - [ -0.0003777700000000, -0.0003098700000000, -0.0004080000000000 ] - [ -0.0023034800000000, -0.0000201700000000, 0.0053464500000000 ] - [ 0.0009570900000000, -0.0002762000000000, 0.0013090100000000 ] - [ -0.0005229100000000, -0.0006551400000000, 0.0016710500000000 ] - [ 0.0005533200000000, -0.0007244600000000, 0.0009880600000000 ] - [ -0.0015557400000000, -0.0089287300000000, -0.0045643500000000 ] - [ 0.0003757500000000, -0.0001434100000000, -0.0014490700000000 ] - [ -0.0003780700000000, 0.0074689800000000, -0.0040515300000000 ] - [ -0.0010763700000000, -0.0016866300000000, -0.0020720800000000 ] - [ -0.0004146000000000, 0.0024285800000000, 0.0039221200000000 ] - [ 0.0002958500000000, 0.0002636200000000, 0.0010835800000000 ] - [ -0.0014568500000000, -0.0006372300000000, 0.0034710700000000 ] - [ 0.0005930200000000, 0.0006074600000000, 0.0012095500000000 ] - [ -0.0079682100000000, -0.0098705600000000, 0.0176061900000000 ] - [ 0.0007172400000000, 0.0006468300000000, 0.0004238700000000 ] - [ 0.0000982900000000, 0.0003731900000000, 0.0006320800000000 ] - [ 0.0002103300000000, -0.0002538700000000, -0.0001209800000000 ] - [ -0.0078101800000000, 0.0090191700000000, 0.0179228300000000 ] - [ -0.0001282100000000, 0.0001765700000000, 0.0000541000000000 ] - [ -0.0009907800000000, -0.0028066400000000, 0.0001548400000000 ] - [ 0.0000001000000000, -0.0005723300000000, -0.0002140400000000 ] - [ -0.0013567800000000, -0.0026551100000000, 0.0019033700000000 ] - [ 0.0009549100000000, -0.0011343100000000, 0.0011866700000000 ] - [ -0.0022082700000000, 0.0020004000000000, 0.0025827200000000 ] - [ 0.0011551400000000, 0.0004678600000000, 0.0001810100000000 ] - [ 0.0011511300000000, 0.0015640900000000, -0.0018851500000000 ] - [ -0.0003378300000000, 0.0002127000000000, -0.0004842100000000 ] - [ 0.0032338700000000, -0.0258888900000000, 0.0249080400000000 ] - [ -0.0027228300000000, -0.0005549700000000, 0.0007487900000000 ]- atom: 81 displacement: [ 0.0039331809669210, 0.0000000000000000, -0.0091940245530154 ] forces: - [ -0.0004634100000000, 0.0032091500000000, -0.0027492400000000 ] - [ -0.0005475800000000, 0.0001190400000000, -0.0008933900000000 ] - [ -0.0003493100000000, -0.0029832500000000, -0.0022343400000000 ] - [ -0.0005065200000000, -0.0001268200000000, -0.0006098200000000 ] - [ 0.0000076500000000, -0.0007381900000000, 0.0019476800000000 ] - [ 0.0002119800000000, 0.0000288800000000, 0.0007177400000000 ] - [ -0.0002978900000000, 0.0004567800000000, 0.0010111300000000 ] - [ 0.0002626600000000, 0.0000194600000000, 0.0007057000000000 ] - [ 0.0004399100000000, -0.0013763600000000, 0.0000981600000000 ] - [ -0.0003210500000000, -0.0003156400000000, 0.0000049800000000 ] - [ 0.0011055400000000, -0.0039523600000000, -0.0085151700000000 ] - [ -0.0007085300000000, 0.0002915500000000, -0.0003261400000000 ] - [ -0.0004952300000000, 0.0005711600000000, 0.0003045700000000 ] - [ 0.0002538100000000, 0.0000695500000000, -0.0000649200000000 ] - [ -0.0017630800000000, -0.0008677700000000, 0.0022864000000000 ] - [ 0.0015737700000000, 0.0000184600000000, 0.0007471600000000 ] - [ -0.0058021900000000, 0.0009610900000000, -0.0005228200000000 ] - [ 0.0019807700000000, 0.0007858400000000, -0.0035118200000000 ] - [ -0.0004256900000000, -0.0003721800000000, -0.0001045200000000 ] - [ 0.0003264400000000, -0.0004570100000000, -0.0003107500000000 ] - [ 0.0010354800000000, 0.0002991200000000, 0.0029525000000000 ] - [ -0.0003849400000000, 0.0000840600000000, 0.0011862000000000 ] - [ 0.0001372700000000, -0.0002166800000000, 0.0003204800000000 ] - [ -0.0000815000000000, -0.0000702800000000, 0.0002631100000000 ] - [ -0.0014101500000000, -0.0000206200000000, 0.0015122400000000 ] - [ 0.0016101900000000, -0.0003538700000000, 0.0017962200000000 ] - [ -0.0002866500000000, -0.0000329900000000, 0.0006031000000000 ] - [ 0.0002769900000000, 0.0001121200000000, 0.0003457000000000 ] - [ -0.0009433200000000, -0.0014035400000000, -0.0067864500000000 ] - [ -0.0017495100000000, 0.0013042100000000, -0.0006565700000000 ] - [ 0.0006830900000000, -0.0010050200000000, -0.0012128200000000 ] - [ -0.0004148700000000, -0.0007314100000000, -0.0002258800000000 ] - [ 0.0113406700000000, -0.0017059600000000, -0.0232017400000000 ] - [ -0.0013024100000000, 0.0012340000000000, -0.0012302300000000 ] - [ 0.0012434200000000, 0.0008961100000000, 0.0002038100000000 ] - [ -0.0008998300000000, -0.0005280000000000, -0.0005416900000000 ] - [ -0.0040478900000000, 0.0005672500000000, 0.0062162400000000 ] - [ 0.0012191100000000, -0.0002681900000000, 0.0008374500000000 ] - [ -0.0007764200000000, -0.0007895900000000, 0.0009739500000000 ] - [ 0.0014634600000000, -0.0003632100000000, 0.0005541100000000 ] - [ 0.0007955500000000, -0.0017048200000000, -0.0035424500000000 ] - [ -0.0003155600000000, -0.0002767100000000, -0.0006685300000000 ] - [ 0.0122316000000000, 0.0004494400000000, -0.0252424600000000 ] - [ -0.0056951300000000, -0.0015785400000000, -0.0026668800000000 ] - [ -0.0007711200000000, 0.0004248500000000, 0.0021057000000000 ] - [ 0.0004142900000000, -0.0001915000000000, 0.0009913700000000 ] - [ -0.0011633400000000, 0.0005127100000000, 0.0027609500000000 ] - [ 0.0018980000000000, 0.0006574300000000, 0.0012430300000000 ] - [ -0.0017521200000000, 0.0043283500000000, 0.0064294000000000 ] - [ 0.0003959300000000, 0.0001584600000000, 0.0008138400000000 ] - [ 0.0000078300000000, -0.0006462500000000, 0.0013127200000000 ] - [ 0.0002916100000000, -0.0005957400000000, 0.0005593600000000 ] - [ 0.0106137900000000, 0.0010719300000000, -0.0257919100000000 ] - [ -0.0010590200000000, 0.0004360700000000, -0.0001800500000000 ] - [ 0.0002607200000000, -0.0004932800000000, -0.0019144300000000 ] - [ -0.0004997000000000, -0.0002860300000000, -0.0005108400000000 ] - [ -0.0042105900000000, -0.0047765500000000, -0.0012376700000000 ] - [ 0.0034252800000000, -0.0006010000000000, 0.0005192900000000 ] - [ -0.0012429100000000, 0.0015232600000000, 0.0002418900000000 ] - [ 0.0010423200000000, -0.0000540100000000, -0.0010921400000000 ] - [ 0.0028635700000000, 0.0047226300000000, 0.0022315800000000 ] - [ -0.0008412200000000, 0.0005539300000000, 0.0000903600000000 ] - [ -0.0005315300000000, -0.0065460300000000, 0.0050089600000000 ] - [ -0.0005036100000000, -0.0005173100000000, 0.0007963300000000 ] - [ -0.0093313800000000, 0.0073518800000000, 0.0003178300000000 ] - [ 0.0033239300000000, 0.0003122100000000, 0.0008534100000000 ] - [ -0.0013845300000000, -0.0004974400000000, 0.0007700100000000 ] - [ 0.0013715400000000, -0.0003006400000000, 0.0003071000000000 ] - [ 0.0024795700000000, -0.0009534800000000, -0.0017243800000000 ] - [ -0.0022655900000000, -0.0009229700000000, -0.0013344000000000 ] - [ 0.0007503900000000, 0.0004922100000000, -0.0008156200000000 ] - [ -0.0026830000000000, 0.0025748600000000, -0.0017486100000000 ] - [ -0.0015078600000000, -0.0016461300000000, -0.0034625800000000 ] - [ 0.0001818200000000, -0.0002893600000000, -0.0014617200000000 ] - [ -0.0003763000000000, 0.0005072900000000, -0.0009676800000000 ] - [ 0.0000185500000000, 0.0000666000000000, -0.0009374900000000 ] - [ 0.0190414700000000, 0.0063604400000000, -0.0015200500000000 ] - [ -0.0007154700000000, -0.0010851100000000, 0.0065169000000000 ] - [ 0.0003128400000000, 0.0001993000000000, 0.0010272100000000 ] - [ 0.0006154800000000, 0.0008050700000000, 0.0013845500000000 ] - [ -0.0489573100000000, -0.0326445300000000, 0.1369069100000000 ] - [ 0.0020937600000000, -0.0014565100000000, 0.0018973100000000 ] - [ -0.0010088100000000, 0.0003014400000000, 0.0017393000000000 ] - [ 0.0004026400000000, 0.0002964700000000, 0.0004768200000000 ] - [ 0.0023319500000000, -0.0000060200000000, -0.0052742800000000 ] - [ -0.0009280700000000, 0.0002596600000000, -0.0012348700000000 ] - [ 0.0005484000000000, 0.0006414700000000, -0.0015928200000000 ] - [ -0.0005241100000000, 0.0007084500000000, -0.0009143000000000 ] - [ 0.0015009700000000, 0.0088699300000000, 0.0045375400000000 ] - [ -0.0004014800000000, 0.0001285600000000, 0.0013771600000000 ] - [ 0.0002989700000000, -0.0073985100000000, 0.0040318900000000 ] - [ 0.0010433600000000, 0.0016674400000000, 0.0019930700000000 ] - [ 0.0003913700000000, -0.0024248300000000, -0.0039777700000000 ] - [ -0.0003263300000000, -0.0002785200000000, -0.0011576200000000 ] - [ 0.0014281600000000, 0.0006158700000000, -0.0035393900000000 ] - [ -0.0006224500000000, -0.0006242400000000, -0.0012860900000000 ] - [ 0.0080978100000000, 0.0100435200000000, -0.0177498600000000 ] - [ -0.0006832200000000, -0.0006290000000000, -0.0003436300000000 ] - [ -0.0000727800000000, -0.0003478600000000, -0.0005383100000000 ] - [ -0.0001806900000000, 0.0002708600000000, 0.0001970400000000 ] - [ 0.0077401200000000, -0.0088976400000000, -0.0176538800000000 ] - [ 0.0001457400000000, -0.0001742800000000, 0.0000039900000000 ] - [ 0.0010149200000000, 0.0028128100000000, -0.0000847200000000 ] - [ 0.0000274200000000, 0.0005902500000000, 0.0002838100000000 ] - [ 0.0013278800000000, 0.0026866200000000, -0.0019646100000000 ] - [ -0.0009782900000000, 0.0011456300000000, -0.0012560100000000 ] - [ 0.0021872900000000, -0.0020053400000000, -0.0026508300000000 ] - [ -0.0011822600000000, -0.0004552300000000, -0.0002454500000000 ] - [ -0.0011710100000000, -0.0015370600000000, 0.0017981200000000 ] - [ 0.0003061000000000, -0.0001948100000000, 0.0004078000000000 ] - [ -0.0031987100000000, 0.0255646000000000, -0.0247083100000000 ] - [ 0.0026683100000000, 0.0005758700000000, -0.0008302200000000 ]