# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b47302c8-8691-461e-bc53-e31d0d24f31c/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 BaCdO2 / Pnma (62) / materials id 7899](https://mdr.nims.go.jp/datasets/895da056-3525-44a4-96b2-f575db982d4e) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 4, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.142946570000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.665144340000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.962585450000001 ] # c points: - symbol: O # 1 coordinates: [ 0.278788710000000, 0.250000000000000, 0.982653460000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.721211290000000, 0.750000000000000, 0.017346540000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.778788710000000, 0.250000000000000, 0.517346540000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.221211290000000, 0.750000000000000, 0.482653460000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.855424940000000, 0.250000000000000, 0.251138820000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.644575060000000, 0.750000000000000, 0.751138820000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.355424940000000, 0.250000000000000, 0.248861180000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.144575060000000, 0.750000000000000, 0.748861180000000 ] mass: 15.999400 - symbol: Cd # 9 coordinates: [ 0.906185760000000, 0.750000000000000, 0.606593100000000 ] mass: 112.411000 - symbol: Cd # 10 coordinates: [ 0.406185760000000, 0.750000000000000, 0.893406900000000 ] mass: 112.411000 - symbol: Cd # 11 coordinates: [ 0.093814240000000, 0.250000000000000, 0.393406900000000 ] mass: 112.411000 - symbol: Cd # 12 coordinates: [ 0.593814240000000, 0.250000000000000, 0.106593100000000 ] mass: 112.411000 - symbol: Ba # 13 coordinates: [ 0.396220870000000, 0.250000000000000, 0.642586750000000 ] mass: 137.327000 - symbol: Ba # 14 coordinates: [ 0.603779130000000, 0.750000000000000, 0.357413250000000 ] mass: 137.327000 - symbol: Ba # 15 coordinates: [ 0.896220870000000, 0.250000000000000, 0.857413250000000 ] mass: 137.327000 - symbol: Ba # 16 coordinates: [ 0.103779130000000, 0.750000000000000, 0.142586750000000 ] mass: 137.327000 reciprocal_lattice: # without 2pi - [ 0.162788327817085, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.272840550667099, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.083593969228450 ] # c*unit_cell: lattice: - [ 6.142946570000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.665144340000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.962585450000001 ] # c points: - symbol: O # 1 coordinates: [ 0.278788710000000, 0.250000000000000, 0.982653460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.721211290000000, 0.750000000000000, 0.017346540000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.778788710000000, 0.250000000000000, 0.517346540000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.221211290000000, 0.750000000000000, 0.482653460000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.855424940000000, 0.250000000000000, 0.251138820000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.644575060000000, 0.750000000000000, 0.751138820000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.355424940000000, 0.250000000000000, 0.248861180000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.144575060000000, 0.750000000000000, 0.748861180000000 ] mass: 15.999400 reduced_to: 8 - symbol: Cd # 9 coordinates: [ 0.906185760000000, 0.750000000000000, 0.606593100000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.406185760000000, 0.750000000000000, 0.893406900000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 11 coordinates: [ 0.093814240000000, 0.250000000000000, 0.393406900000000 ] mass: 112.411000 reduced_to: 11 - symbol: Cd # 12 coordinates: [ 0.593814240000000, 0.250000000000000, 0.106593100000000 ] mass: 112.411000 reduced_to: 12 - symbol: Ba # 13 coordinates: [ 0.396220870000000, 0.250000000000000, 0.642586750000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.603779130000000, 0.750000000000000, 0.357413250000000 ] mass: 137.327000 reduced_to: 14 - symbol: Ba # 15 coordinates: [ 0.896220870000000, 0.250000000000000, 0.857413250000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 16 coordinates: [ 0.103779130000000, 0.750000000000000, 0.142586750000000 ] mass: 137.327000 reduced_to: 16supercell: lattice: - [ 12.285893140000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.660577360000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.962585450000001 ] # c points: - symbol: O # 1 coordinates: [ 0.139394355000000, 0.062500000000000, 0.982653460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.639394355000000, 0.062500000000000, 0.982653460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.139394355000000, 0.312500000000000, 0.982653460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.639394355000000, 0.312500000000000, 0.982653460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.139394355000000, 0.562500000000000, 0.982653460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.639394355000000, 0.562500000000000, 0.982653460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.139394355000000, 0.812500000000000, 0.982653460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.639394355000000, 0.812500000000000, 0.982653460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 9 coordinates: [ 0.360605645000000, 0.187500000000000, 0.017346540000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.860605645000000, 0.187500000000000, 0.017346540000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.360605645000000, 0.437500000000000, 0.017346540000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.860605645000000, 0.437500000000000, 0.017346540000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.360605645000000, 0.687500000000000, 0.017346540000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 14 coordinates: [ 0.860605645000000, 0.687500000000000, 0.017346540000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 15 coordinates: [ 0.360605645000000, 0.937500000000000, 0.017346540000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 16 coordinates: [ 0.860605645000000, 0.937500000000000, 0.017346540000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 17 coordinates: [ 0.389394355000000, 0.062500000000000, 0.517346540000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.889394355000000, 0.062500000000000, 0.517346540000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.389394355000000, 0.312500000000000, 0.517346540000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.889394355000000, 0.312500000000000, 0.517346540000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.389394355000000, 0.562500000000000, 0.517346540000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 22 coordinates: [ 0.889394355000000, 0.562500000000000, 0.517346540000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 23 coordinates: [ 0.389394355000000, 0.812500000000000, 0.517346540000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 24 coordinates: [ 0.889394355000000, 0.812500000000000, 0.517346540000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 25 coordinates: [ 0.110605645000000, 0.187500000000000, 0.482653460000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.610605645000000, 0.187500000000000, 0.482653460000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.110605645000000, 0.437500000000000, 0.482653460000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.610605645000000, 0.437500000000000, 0.482653460000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.110605645000000, 0.687500000000000, 0.482653460000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 30 coordinates: [ 0.610605645000000, 0.687500000000000, 0.482653460000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 31 coordinates: [ 0.110605645000000, 0.937500000000000, 0.482653460000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 32 coordinates: [ 0.610605645000000, 0.937500000000000, 0.482653460000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 33 coordinates: [ 0.427712470000000, 0.062500000000000, 0.251138820000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.927712470000000, 0.062500000000000, 0.251138820000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.427712470000000, 0.312500000000000, 0.251138820000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.927712470000000, 0.312500000000000, 0.251138820000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.427712470000000, 0.562500000000000, 0.251138820000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 38 coordinates: [ 0.927712470000000, 0.562500000000000, 0.251138820000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 39 coordinates: [ 0.427712470000000, 0.812500000000000, 0.251138820000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 40 coordinates: [ 0.927712470000000, 0.812500000000000, 0.251138820000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 41 coordinates: [ 0.322287530000000, 0.187500000000000, 0.751138820000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.822287530000000, 0.187500000000000, 0.751138820000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.322287530000000, 0.437500000000000, 0.751138820000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.822287530000000, 0.437500000000000, 0.751138820000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.322287530000000, 0.687500000000000, 0.751138820000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 46 coordinates: [ 0.822287530000000, 0.687500000000000, 0.751138820000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 47 coordinates: [ 0.322287530000000, 0.937500000000000, 0.751138820000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 48 coordinates: [ 0.822287530000000, 0.937500000000000, 0.751138820000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 49 coordinates: [ 0.177712470000000, 0.062500000000000, 0.248861180000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.677712470000000, 0.062500000000000, 0.248861180000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.177712470000000, 0.312500000000000, 0.248861180000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.677712470000000, 0.312500000000000, 0.248861180000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.177712470000000, 0.562500000000000, 0.248861180000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.677712470000000, 0.562500000000000, 0.248861180000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.177712470000000, 0.812500000000000, 0.248861180000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 56 coordinates: [ 0.677712470000000, 0.812500000000000, 0.248861180000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 57 coordinates: [ 0.072287530000000, 0.187500000000000, 0.748861180000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.572287530000000, 0.187500000000000, 0.748861180000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.072287530000000, 0.437500000000000, 0.748861180000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.572287530000000, 0.437500000000000, 0.748861180000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.072287530000000, 0.687500000000000, 0.748861180000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 62 coordinates: [ 0.572287530000000, 0.687500000000000, 0.748861180000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 63 coordinates: [ 0.072287530000000, 0.937500000000000, 0.748861180000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 64 coordinates: [ 0.572287530000000, 0.937500000000000, 0.748861180000000 ] mass: 15.999400 reduced_to: 57 - symbol: Cd # 65 coordinates: [ 0.453092880000000, 0.187500000000000, 0.606593100000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 66 coordinates: [ 0.953092880000000, 0.187500000000000, 0.606593100000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 67 coordinates: [ 0.453092880000000, 0.437500000000000, 0.606593100000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 68 coordinates: [ 0.953092880000000, 0.437500000000000, 0.606593100000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 69 coordinates: [ 0.453092880000000, 0.687500000000000, 0.606593100000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 70 coordinates: [ 0.953092880000000, 0.687500000000000, 0.606593100000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 71 coordinates: [ 0.453092880000000, 0.937500000000000, 0.606593100000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 72 coordinates: [ 0.953092880000000, 0.937500000000000, 0.606593100000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 73 coordinates: [ 0.203092880000000, 0.187500000000000, 0.893406900000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 74 coordinates: [ 0.703092880000000, 0.187500000000000, 0.893406900000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 75 coordinates: [ 0.203092880000000, 0.437500000000000, 0.893406900000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 76 coordinates: [ 0.703092880000000, 0.437500000000000, 0.893406900000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 77 coordinates: [ 0.203092880000000, 0.687500000000000, 0.893406900000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 78 coordinates: [ 0.703092880000000, 0.687500000000000, 0.893406900000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 79 coordinates: [ 0.203092880000000, 0.937500000000000, 0.893406900000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 80 coordinates: [ 0.703092880000000, 0.937500000000000, 0.893406900000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 81 coordinates: [ 0.046907120000000, 0.062500000000000, 0.393406900000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 82 coordinates: [ 0.546907120000000, 0.062500000000000, 0.393406900000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 83 coordinates: [ 0.046907120000000, 0.312500000000000, 0.393406900000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 84 coordinates: [ 0.546907120000000, 0.312500000000000, 0.393406900000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 85 coordinates: [ 0.046907120000000, 0.562500000000000, 0.393406900000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 86 coordinates: [ 0.546907120000000, 0.562500000000000, 0.393406900000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 87 coordinates: [ 0.046907120000000, 0.812500000000000, 0.393406900000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 88 coordinates: [ 0.546907120000000, 0.812500000000000, 0.393406900000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 89 coordinates: [ 0.296907120000000, 0.062500000000000, 0.106593100000000 ] mass: 112.411000 reduced_to: 89 - symbol: Cd # 90 coordinates: [ 0.796907120000000, 0.062500000000000, 0.106593100000000 ] mass: 112.411000 reduced_to: 89 - symbol: Cd # 91 coordinates: [ 0.296907120000000, 0.312500000000000, 0.106593100000000 ] mass: 112.411000 reduced_to: 89 - symbol: Cd # 92 coordinates: [ 0.796907120000000, 0.312500000000000, 0.106593100000000 ] mass: 112.411000 reduced_to: 89 - symbol: Cd # 93 coordinates: [ 0.296907120000000, 0.562500000000000, 0.106593100000000 ] mass: 112.411000 reduced_to: 89 - symbol: Cd # 94 coordinates: [ 0.796907120000000, 0.562500000000000, 0.106593100000000 ] mass: 112.411000 reduced_to: 89 - symbol: Cd # 95 coordinates: [ 0.296907120000000, 0.812500000000000, 0.106593100000000 ] mass: 112.411000 reduced_to: 89 - symbol: Cd # 96 coordinates: [ 0.796907120000000, 0.812500000000000, 0.106593100000000 ] mass: 112.411000 reduced_to: 89 - symbol: Ba # 97 coordinates: [ 0.198110435000000, 0.062500000000000, 0.642586750000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 98 coordinates: [ 0.698110435000000, 0.062500000000000, 0.642586750000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 99 coordinates: [ 0.198110435000000, 0.312500000000000, 0.642586750000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 100 coordinates: [ 0.698110435000000, 0.312500000000000, 0.642586750000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 101 coordinates: [ 0.198110435000000, 0.562500000000000, 0.642586750000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 102 coordinates: [ 0.698110435000000, 0.562500000000000, 0.642586750000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 103 coordinates: [ 0.198110435000000, 0.812500000000000, 0.642586750000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 104 coordinates: [ 0.698110435000000, 0.812500000000000, 0.642586750000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 105 coordinates: [ 0.301889565000000, 0.187500000000000, 0.357413250000000 ] mass: 137.327000 reduced_to: 105 - symbol: Ba # 106 coordinates: [ 0.801889565000000, 0.187500000000000, 0.357413250000000 ] mass: 137.327000 reduced_to: 105 - symbol: Ba # 107 coordinates: [ 0.301889565000000, 0.437500000000000, 0.357413250000000 ] mass: 137.327000 reduced_to: 105 - symbol: Ba # 108 coordinates: [ 0.801889565000000, 0.437500000000000, 0.357413250000000 ] mass: 137.327000 reduced_to: 105 - symbol: Ba # 109 coordinates: [ 0.301889565000000, 0.687500000000000, 0.357413250000000 ] mass: 137.327000 reduced_to: 105 - symbol: Ba # 110 coordinates: [ 0.801889565000000, 0.687500000000000, 0.357413250000000 ] mass: 137.327000 reduced_to: 105 - symbol: Ba # 111 coordinates: [ 0.301889565000000, 0.937500000000000, 0.357413250000000 ] mass: 137.327000 reduced_to: 105 - symbol: Ba # 112 coordinates: [ 0.801889565000000, 0.937500000000000, 0.357413250000000 ] mass: 137.327000 reduced_to: 105 - symbol: Ba # 113 coordinates: [ 0.448110435000000, 0.062500000000000, 0.857413250000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 114 coordinates: [ 0.948110435000000, 0.062500000000000, 0.857413250000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 115 coordinates: [ 0.448110435000000, 0.312500000000000, 0.857413250000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 116 coordinates: [ 0.948110435000000, 0.312500000000000, 0.857413250000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 117 coordinates: [ 0.448110435000000, 0.562500000000000, 0.857413250000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 118 coordinates: [ 0.948110435000000, 0.562500000000000, 0.857413250000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 119 coordinates: [ 0.448110435000000, 0.812500000000000, 0.857413250000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 120 coordinates: [ 0.948110435000000, 0.812500000000000, 0.857413250000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 121 coordinates: [ 0.051889565000000, 0.187500000000000, 0.142586750000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 122 coordinates: [ 0.551889565000000, 0.187500000000000, 0.142586750000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 123 coordinates: [ 0.051889565000000, 0.437500000000000, 0.142586750000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 124 coordinates: [ 0.551889565000000, 0.437500000000000, 0.142586750000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 125 coordinates: [ 0.051889565000000, 0.687500000000000, 0.142586750000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 126 coordinates: [ 0.551889565000000, 0.687500000000000, 0.142586750000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 127 coordinates: [ 0.051889565000000, 0.937500000000000, 0.142586750000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 128 coordinates: [ 0.551889565000000, 0.937500000000000, 0.142586750000000 ] mass: 137.327000 reduced_to: 121born_effective_charge:- # 1 (O) - [ -2.228789320000000, 0.000000000000000, -0.014317990000000 ] - [ 0.000000000000000, -2.712801100000000, 0.000000000000000 ] - [ -0.135424780000000, 0.000000000000000, -2.461454940000000 ]- # 2 (O) - [ -2.228789320000000, 0.000000000000000, -0.014317990000000 ] - [ 0.000000000000000, -2.712801100000000, 0.000000000000000 ] - [ -0.135424780000000, 0.000000000000000, -2.461454940000000 ]- # 3 (O) - [ -2.228789320000000, 0.000000000000000, 0.014317990000000 ] - [ 0.000000000000000, -2.712801100000000, 0.000000000000000 ] - [ 0.135424780000000, 0.000000000000000, -2.461454940000000 ]- # 4 (O) - [ -2.228789320000000, 0.000000000000000, 0.014317990000000 ] - [ 0.000000000000000, -2.712801100000000, 0.000000000000000 ] - [ 0.135424780000000, 0.000000000000000, -2.461454940000000 ]- # 5 (O) - [ -2.769302460000000, 0.000000000000000, -0.304315780000000 ] - [ 0.000000000000000, -2.315235180000000, 0.000000000000000 ] - [ -0.024895630000000, 0.000000000000000, -2.447953570000000 ]- # 6 (O) - [ -2.769302460000000, 0.000000000000000, 0.304315780000000 ] - [ 0.000000000000000, -2.315235180000000, 0.000000000000000 ] - [ 0.024895630000000, 0.000000000000000, -2.447953570000000 ]- # 7 (O) - [ -2.769302460000000, 0.000000000000000, 0.304315780000000 ] - [ 0.000000000000000, -2.315235180000000, 0.000000000000000 ] - [ 0.024895630000000, 0.000000000000000, -2.447953570000000 ]- # 8 (O) - [ -2.769302460000000, 0.000000000000000, -0.304315780000000 ] - [ 0.000000000000000, -2.315235180000000, 0.000000000000000 ] - [ -0.024895630000000, 0.000000000000000, -2.447953570000000 ]- # 9 (Cd) - [ 2.268008460000000, 0.000000000000000, -0.137770770000000 ] - [ 0.000000000000000, 2.139045230000000, 0.000000000000000 ] - [ -0.251684050000000, 0.000000000000000, 2.466675120000000 ]- # 10 (Cd) - [ 2.268008460000000, 0.000000000000000, 0.137770770000000 ] - [ 0.000000000000000, 2.139045230000000, 0.000000000000000 ] - [ 0.251684050000000, 0.000000000000000, 2.466675120000000 ]- # 11 (Cd) - [ 2.268008460000000, 0.000000000000000, -0.137770770000000 ] - [ 0.000000000000000, 2.139045230000000, 0.000000000000000 ] - [ -0.251684050000000, 0.000000000000000, 2.466675120000000 ]- # 12 (Cd) - [ 2.268008460000000, 0.000000000000000, 0.137770770000000 ] - [ 0.000000000000000, 2.139045230000000, 0.000000000000000 ] - [ 0.251684050000000, 0.000000000000000, 2.466675120000000 ]- # 13 (Ba) - [ 2.730083330000000, 0.000000000000000, 0.033322400000000 ] - [ 0.000000000000000, 2.888991040000000, 0.000000000000000 ] - [ 0.169241080000000, 0.000000000000000, 2.442733390000000 ]- # 14 (Ba) - [ 2.730083330000000, 0.000000000000000, 0.033322400000000 ] - [ 0.000000000000000, 2.888991040000000, 0.000000000000000 ] - [ 0.169241080000000, 0.000000000000000, 2.442733390000000 ]- # 15 (Ba) - [ 2.730083330000000, 0.000000000000000, -0.033322400000000 ] - [ 0.000000000000000, 2.888991040000000, 0.000000000000000 ] - [ -0.169241080000000, 0.000000000000000, 2.442733390000000 ]- # 16 (Ba) - [ 2.730083330000000, 0.000000000000000, -0.033322400000000 ] - [ 0.000000000000000, 2.888991040000000, 0.000000000000000 ] - [ -0.169241080000000, 0.000000000000000, 2.442733390000000 ]dielectric_constant: - [ 5.750930480000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.585449850000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.430159010000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0462560900000000, 0.0000000000000000, 0.0073362300000000 ] - [ -0.0001626700000000, 0.0000000000000000, 0.0040371300000000 ] - [ -0.0043258700000000, 0.0003081800000000, 0.0044691200000000 ] - [ -0.0008462400000000, -0.0002097500000000, 0.0040890700000000 ] - [ -0.0024193400000000, 0.0000000000000000, 0.0042193600000000 ] - [ -0.0017284200000000, 0.0000000000000000, 0.0041277100000000 ] - [ -0.0043258700000000, -0.0003081800000000, 0.0044691200000000 ] - [ -0.0008462400000000, 0.0002097500000000, 0.0040890700000000 ] - [ 0.0081185800000000, 0.0075591100000000, -0.0032803500000000 ] - [ 0.0048635300000000, -0.0018623000000000, -0.0051731300000000 ] - [ 0.0018520800000000, 0.0007239900000000, -0.0040600300000000 ] - [ 0.0021658000000000, -0.0003850500000000, -0.0041013600000000 ] - [ 0.0018520800000000, -0.0007239900000000, -0.0040600300000000 ] - [ 0.0021658000000000, 0.0003850500000000, -0.0041013600000000 ] - [ 0.0081185800000000, -0.0075591100000000, -0.0032803500000000 ] - [ 0.0048635300000000, 0.0018623000000000, -0.0051731300000000 ] - [ -0.0020652300000000, 0.0000000000000000, -0.0041913900000000 ] - [ -0.0020587600000000, 0.0000000000000000, -0.0038841300000000 ] - [ -0.0020223400000000, 0.0004763300000000, -0.0042850500000000 ] - [ -0.0020179700000000, -0.0003297700000000, -0.0039994300000000 ] - [ -0.0020518300000000, 0.0000000000000000, -0.0041985400000000 ] - [ -0.0020526200000000, 0.0000000000000000, -0.0041551600000000 ] - [ -0.0020223400000000, -0.0004763300000000, -0.0042850500000000 ] - [ -0.0020179700000000, 0.0003297700000000, -0.0039994300000000 ] - [ 0.0013873100000000, 0.0003894500000000, 0.0046082500000000 ] - [ 0.0026036700000000, 0.0000580700000000, 0.0042178400000000 ] - [ 0.0017801800000000, -0.0000497000000000, 0.0040195300000000 ] - [ 0.0023744700000000, 0.0000063100000000, 0.0041617400000000 ] - [ 0.0017801800000000, 0.0000497000000000, 0.0040195300000000 ] - [ 0.0023744700000000, -0.0000063100000000, 0.0041617400000000 ] - [ 0.0013873100000000, -0.0003894500000000, 0.0046082500000000 ] - [ 0.0026036700000000, -0.0000580700000000, 0.0042178400000000 ] - [ -0.0027168000000000, 0.0000000000000000, 0.0004347400000000 ] - [ -0.0030418500000000, 0.0000000000000000, -0.0027419700000000 ] - [ -0.0029557700000000, 0.0005584400000000, 0.0000398400000000 ] - [ -0.0023719900000000, -0.0014592700000000, -0.0017985900000000 ] - [ -0.0032327100000000, 0.0000000000000000, -0.0006078800000000 ] - [ -0.0034632800000000, 0.0000000000000000, -0.0008288600000000 ] - [ -0.0029557700000000, -0.0005584400000000, 0.0000398400000000 ] - [ -0.0023719900000000, 0.0014592700000000, -0.0017985900000000 ] - [ 0.0041449600000000, 0.0012386800000000, -0.0036276700000000 ] - [ 0.0054461800000000, -0.0032036500000000, 0.0009311500000000 ] - [ 0.0030254200000000, 0.0003142800000000, -0.0009695800000000 ] - [ 0.0035900200000000, -0.0002961200000000, -0.0006801100000000 ] - [ 0.0030254200000000, -0.0003142800000000, -0.0009695800000000 ] - [ 0.0035900200000000, 0.0002961200000000, -0.0006801100000000 ] - [ 0.0041449600000000, -0.0012386800000000, -0.0036276700000000 ] - [ 0.0054461800000000, 0.0032036500000000, 0.0009311500000000 ] - [ -0.0084567000000000, 0.0000000000000000, 0.0049674000000000 ] - [ -0.0021338200000000, 0.0000000000000000, 0.0006754600000000 ] - [ -0.0051511400000000, -0.0007942000000000, 0.0004751900000000 ] - [ -0.0025328300000000, 0.0001355100000000, 0.0006890700000000 ] - [ -0.0036130100000000, 0.0000000000000000, 0.0007870100000000 ] - [ -0.0030674700000000, 0.0000000000000000, 0.0008610300000000 ] - [ -0.0051511400000000, 0.0007942000000000, 0.0004751900000000 ] - [ -0.0025328300000000, -0.0001355100000000, 0.0006890700000000 ] - [ 0.0009276800000000, -0.0022106800000000, 0.0027856300000000 ] - [ 0.0048219200000000, 0.0001771700000000, 0.0007055300000000 ] - [ 0.0029466500000000, -0.0001709600000000, 0.0008353400000000 ] - [ 0.0038865000000000, 0.0002541900000000, 0.0005343100000000 ] - [ 0.0029466500000000, 0.0001709600000000, 0.0008353400000000 ] - [ 0.0038865000000000, -0.0002541900000000, 0.0005343100000000 ] - [ 0.0009276800000000, 0.0022106800000000, 0.0027856300000000 ] - [ 0.0048219200000000, -0.0001771700000000, 0.0007055300000000 ] - [ -0.0004632400000000, -0.0000801100000000, 0.0015283800000000 ] - [ 0.0007252100000000, 0.0002057600000000, -0.0001956700000000 ] - [ 0.0002145900000000, -0.0001901600000000, 0.0010018100000000 ] - [ 0.0005217300000000, 0.0001722700000000, 0.0009409100000000 ] - [ 0.0002145900000000, 0.0001901600000000, 0.0010018100000000 ] - [ 0.0005217300000000, -0.0001722700000000, 0.0009409100000000 ] - [ -0.0004632400000000, 0.0000801100000000, 0.0015283800000000 ] - [ 0.0007252100000000, -0.0002057600000000, -0.0001956700000000 ] - [ 0.0099744900000000, 0.0097624000000000, -0.0063331300000000 ] - [ -0.0015052200000000, 0.0002294800000000, -0.0008983600000000 ] - [ 0.0007367800000000, -0.0001119200000000, -0.0008010800000000 ] - [ 0.0000467300000000, 0.0000739300000000, -0.0010013100000000 ] - [ 0.0007367800000000, 0.0001119200000000, -0.0008010800000000 ] - [ 0.0000467300000000, -0.0000739300000000, -0.0010013100000000 ] - [ 0.0099744900000000, -0.0097624000000000, -0.0063331300000000 ] - [ -0.0015052200000000, -0.0002294800000000, -0.0008983600000000 ] - [ 0.0012411700000000, 0.0000000000000000, -0.0011684700000000 ] - [ -0.0010367200000000, 0.0000000000000000, -0.0011709000000000 ] - [ 0.0000787900000000, 0.0000425500000000, -0.0004554100000000 ] - [ -0.0008588500000000, -0.0000476900000000, -0.0010287600000000 ] - [ -0.0002206900000000, 0.0000000000000000, -0.0009107800000000 ] - [ -0.0005381200000000, 0.0000000000000000, -0.0009072100000000 ] - [ 0.0000787900000000, -0.0000425500000000, -0.0004554100000000 ] - [ -0.0008588500000000, 0.0000476900000000, -0.0010287600000000 ] - [ 0.0080544400000000, 0.0000000000000000, 0.0024370300000000 ] - [ -0.0023767300000000, 0.0000000000000000, 0.0020708400000000 ] - [ 0.0012203900000000, -0.0023308200000000, -0.0006240200000000 ] - [ -0.0011545600000000, 0.0009081600000000, 0.0012226700000000 ] - [ -0.0001300300000000, 0.0000000000000000, 0.0006336300000000 ] - [ -0.0005722200000000, 0.0000000000000000, 0.0009851500000000 ] - [ 0.0012203900000000, 0.0023308200000000, -0.0006240200000000 ] - [ -0.0011545600000000, -0.0009081600000000, 0.0012226700000000 ] - [ -0.0001705600000000, 0.0000000000000000, -0.0045189700000000 ] - [ -0.0037573200000000, 0.0000000000000000, -0.0056167400000000 ] - [ -0.0011639700000000, -0.0002847900000000, -0.0046037700000000 ] - [ -0.0029489400000000, 0.0003366600000000, -0.0051176000000000 ] - [ -0.0019173100000000, 0.0000000000000000, -0.0048725300000000 ] - [ -0.0024668300000000, 0.0000000000000000, -0.0049552900000000 ] - [ -0.0011639700000000, 0.0002847900000000, -0.0046037700000000 ] - [ -0.0029489400000000, -0.0003366600000000, -0.0051176000000000 ] - [ 0.0025999600000000, -0.0007077100000000, 0.0043138500000000 ] - [ 0.0014465900000000, 0.0000645300000000, 0.0052257700000000 ] - [ 0.0024912900000000, -0.0001434900000000, 0.0049204100000000 ] - [ 0.0018888800000000, 0.0002071500000000, 0.0050572400000000 ] - [ 0.0024912900000000, 0.0001434900000000, 0.0049204100000000 ] - [ 0.0018888800000000, -0.0002071500000000, 0.0050572400000000 ] - [ 0.0025999600000000, 0.0007077100000000, 0.0043138500000000 ] - [ 0.0014465900000000, -0.0000645300000000, 0.0052257700000000 ] - [ -0.0060214000000000, 0.0000000000000000, 0.0071976100000000 ] - [ 0.0021974100000000, 0.0000000000000000, 0.0046888200000000 ] - [ -0.0032090800000000, -0.0013915700000000, 0.0056421000000000 ] - [ -0.0018911600000000, 0.0020228400000000, 0.0046997500000000 ] - [ -0.0023613700000000, 0.0000000000000000, 0.0050088200000000 ] - [ -0.0020149000000000, 0.0000000000000000, 0.0049625300000000 ] - [ -0.0032090800000000, 0.0013915700000000, 0.0056421000000000 ] - [ -0.0018911600000000, -0.0020228400000000, 0.0046997500000000 ] - [ 0.0054907000000000, 0.0013020600000000, -0.0035530800000000 ] - [ 0.0000269300000000, -0.0001925700000000, -0.0056567900000000 ] - [ 0.0026437600000000, 0.0005417100000000, -0.0051880200000000 ] - [ 0.0016832900000000, -0.0002611900000000, -0.0050330500000000 ] - [ 0.0026437600000000, -0.0005417100000000, -0.0051880200000000 ] - [ 0.0016832900000000, 0.0002611900000000, -0.0050330500000000 ] - [ 0.0054907000000000, -0.0013020600000000, -0.0035530800000000 ] - [ 0.0000269300000000, 0.0001925700000000, -0.0056567900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0421115900000000, 0.0000000000000000, 0.0008851100000000 ] - [ -0.0039407000000000, 0.0000000000000000, 0.0041956700000000 ] - [ 0.0002333200000000, -0.0003394000000000, 0.0037540200000000 ] - [ -0.0032538700000000, 0.0002136500000000, 0.0041425600000000 ] - [ -0.0016764300000000, 0.0000000000000000, 0.0040107900000000 ] - [ -0.0023694300000000, 0.0000000000000000, 0.0041043400000000 ] - [ 0.0002333200000000, 0.0003394000000000, 0.0037540200000000 ] - [ -0.0032538700000000, -0.0002136500000000, 0.0041425600000000 ] - [ -0.0039803400000000, -0.0074728800000000, -0.0049538000000000 ] - [ -0.0007826000000000, 0.0018824300000000, -0.0030449600000000 ] - [ 0.0022412000000000, -0.0007229000000000, -0.0041738600000000 ] - [ 0.0019336900000000, 0.0003881900000000, -0.0041305500000000 ] - [ 0.0022412000000000, 0.0007229000000000, -0.0041738600000000 ] - [ 0.0019336900000000, -0.0003881900000000, -0.0041305500000000 ] - [ -0.0039803400000000, 0.0074728800000000, -0.0049538000000000 ] - [ -0.0007826000000000, -0.0018824300000000, -0.0030449600000000 ] - [ -0.0020376800000000, 0.0000000000000000, -0.0040434100000000 ] - [ -0.0020333900000000, 0.0000000000000000, -0.0043498800000000 ] - [ -0.0020792600000000, -0.0004790500000000, -0.0039471700000000 ] - [ -0.0020758000000000, 0.0003306200000000, -0.0042333800000000 ] - [ -0.0020465500000000, 0.0000000000000000, -0.0040326000000000 ] - [ -0.0020443300000000, 0.0000000000000000, -0.0040783100000000 ] - [ -0.0020792600000000, 0.0004790500000000, -0.0039471700000000 ] - [ -0.0020758000000000, -0.0003306200000000, -0.0042333800000000 ] - [ 0.0027123300000000, -0.0003918100000000, 0.0036272400000000 ] - [ 0.0014923100000000, -0.0000582400000000, 0.0040140200000000 ] - [ 0.0023182200000000, 0.0000492700000000, 0.0042135700000000 ] - [ 0.0017220000000000, -0.0000062600000000, 0.0040688600000000 ] - [ 0.0023182200000000, -0.0000492700000000, 0.0042135700000000 ] - [ 0.0017220000000000, 0.0000062600000000, 0.0040688600000000 ] - [ 0.0027123300000000, 0.0003918100000000, 0.0036272400000000 ] - [ 0.0014923100000000, 0.0000582400000000, 0.0040140200000000 ] - [ -0.0040004200000000, 0.0000000000000000, -0.0019923500000000 ] - [ -0.0036452300000000, 0.0000000000000000, 0.0012136700000000 ] - [ -0.0037408200000000, -0.0005584100000000, -0.0015744000000000 ] - [ -0.0043174500000000, 0.0014575800000000, 0.0002607300000000 ] - [ -0.0034642100000000, 0.0000000000000000, -0.0009299200000000 ] - [ -0.0032286400000000, 0.0000000000000000, -0.0007103600000000 ] - [ -0.0037408200000000, 0.0005584100000000, -0.0015744000000000 ] - [ -0.0043174500000000, -0.0014575800000000, 0.0002607300000000 ] - [ 0.0025450800000000, -0.0012386900000000, 0.0020832400000000 ] - [ 0.0012365200000000, 0.0032407000000000, -0.0024899900000000 ] - [ 0.0036662700000000, -0.0003154300000000, -0.0005678000000000 ] - [ 0.0031067000000000, 0.0002981800000000, -0.0008593700000000 ] - [ 0.0036662700000000, 0.0003154300000000, -0.0005678000000000 ] - [ 0.0031067000000000, -0.0002981800000000, -0.0008593700000000 ] - [ 0.0025450800000000, 0.0012386900000000, 0.0020832400000000 ] - [ 0.0012365200000000, -0.0032407000000000, -0.0024899900000000 ] - [ 0.0017474000000000, 0.0000000000000000, -0.0034530800000000 ] - [ -0.0045649300000000, 0.0000000000000000, 0.0008686800000000 ] - [ -0.0015401100000000, 0.0007970600000000, 0.0010628000000000 ] - [ -0.0041626500000000, -0.0001340300000000, 0.0008505800000000 ] - [ -0.0030842800000000, 0.0000000000000000, 0.0007513900000000 ] - [ -0.0036249400000000, 0.0000000000000000, 0.0006747600000000 ] - [ -0.0015401100000000, -0.0007970600000000, 0.0010628000000000 ] - [ -0.0041626500000000, 0.0001340300000000, 0.0008505800000000 ] - [ 0.0058171600000000, 0.0022119100000000, -0.0012241900000000 ] - [ 0.0018676800000000, -0.0001754300000000, 0.0008284700000000 ] - [ 0.0037512700000000, 0.0001702900000000, 0.0007027600000000 ] - [ 0.0028075900000000, -0.0002524500000000, 0.0010030800000000 ] - [ 0.0037512700000000, -0.0001702900000000, 0.0007027600000000 ] - [ 0.0028075900000000, 0.0002524500000000, 0.0010030800000000 ] - [ 0.0058171600000000, -0.0022119100000000, -0.0012241900000000 ] - [ 0.0018676800000000, 0.0001754300000000, 0.0008284700000000 ] - [ 0.0012187900000000, 0.0000814000000000, 0.0003034900000000 ] - [ 0.0000110300000000, -0.0002099800000000, 0.0020299700000000 ] - [ 0.0005389100000000, 0.0001916000000000, 0.0008301900000000 ] - [ 0.0002270700000000, -0.0001725100000000, 0.0008906500000000 ] - [ 0.0005389100000000, -0.0001916000000000, 0.0008301900000000 ] - [ 0.0002270700000000, 0.0001725100000000, 0.0008906500000000 ] - [ 0.0012187900000000, -0.0000814000000000, 0.0003034900000000 ] - [ 0.0000110300000000, 0.0002099800000000, 0.0020299700000000 ] - [ -0.0092757300000000, -0.0095727600000000, 0.0044038200000000 ] - [ 0.0022674600000000, -0.0002336300000000, -0.0009336800000000 ] - [ 0.0000191100000000, 0.0001184500000000, -0.0010344600000000 ] - [ 0.0007041100000000, -0.0000759800000000, -0.0008301300000000 ] - [ 0.0000191100000000, -0.0001184500000000, -0.0010344600000000 ] - [ 0.0007041100000000, 0.0000759800000000, -0.0008301300000000 ] - [ -0.0092757300000000, 0.0095727600000000, 0.0044038200000000 ] - [ 0.0022674600000000, 0.0002336300000000, -0.0009336800000000 ] - [ -0.0020043600000000, 0.0000000000000000, -0.0006624300000000 ] - [ 0.0002911800000000, 0.0000000000000000, -0.0006597100000000 ] - [ -0.0008324300000000, -0.0000413900000000, -0.0013785400000000 ] - [ 0.0001086900000000, 0.0000484700000000, -0.0008047600000000 ] - [ -0.0005318800000000, 0.0000000000000000, -0.0009210500000000 ] - [ -0.0002146400000000, 0.0000000000000000, -0.0009247600000000 ] - [ -0.0008324300000000, 0.0000413900000000, -0.0013785400000000 ] - [ 0.0001086900000000, -0.0000484700000000, -0.0008047600000000 ] - [ -0.0082822200000000, 0.0000000000000000, -0.0001612200000000 ] - [ 0.0016378100000000, 0.0000000000000000, -0.0002530000000000 ] - [ -0.0019604100000000, 0.0023275900000000, 0.0024569300000000 ] - [ 0.0004026600000000, -0.0009156700000000, 0.0006035700000000 ] - [ -0.0006189300000000, 0.0000000000000000, 0.0011982000000000 ] - [ -0.0001793800000000, 0.0000000000000000, 0.0008446300000000 ] - [ -0.0019604100000000, -0.0023275900000000, 0.0024569300000000 ] - [ 0.0004026600000000, 0.0009156700000000, 0.0006035700000000 ] - [ -0.0042047800000000, 0.0000000000000000, -0.0054488900000000 ] - [ -0.0006126400000000, 0.0000000000000000, -0.0043228100000000 ] - [ -0.0032143200000000, 0.0002919600000000, -0.0053521500000000 ] - [ -0.0014296100000000, -0.0003411800000000, -0.0048293000000000 ] - [ -0.0024633800000000, 0.0000000000000000, -0.0050777700000000 ] - [ -0.0019119700000000, 0.0000000000000000, -0.0049949600000000 ] - [ -0.0032143200000000, -0.0002919600000000, -0.0053521500000000 ] - [ -0.0014296100000000, 0.0003411800000000, -0.0048293000000000 ] - [ 0.0017831200000000, 0.0007112800000000, 0.0056344400000000 ] - [ 0.0029315700000000, -0.0000640600000000, 0.0047218200000000 ] - [ 0.0018875100000000, 0.0001419700000000, 0.0050289200000000 ] - [ 0.0024883100000000, -0.0002054100000000, 0.0048906100000000 ] - [ 0.0018875100000000, -0.0001419700000000, 0.0050289200000000 ] - [ 0.0024883100000000, 0.0002054100000000, 0.0048906100000000 ] - [ 0.0017831200000000, -0.0007112800000000, 0.0056344400000000 ] - [ 0.0029315700000000, 0.0000640600000000, 0.0047218200000000 ] - [ 0.0016319100000000, 0.0000000000000000, 0.0027666800000000 ] - [ -0.0069791800000000, 0.0000000000000000, 0.0050178700000000 ] - [ -0.0011618000000000, 0.0013914300000000, 0.0043075500000000 ] - [ -0.0024993000000000, -0.0020359200000000, 0.0052528800000000 ] - [ -0.0020162700000000, 0.0000000000000000, 0.0049391100000000 ] - [ -0.0023678200000000, 0.0000000000000000, 0.0049855900000000 ] - [ -0.0011618000000000, -0.0013914300000000, 0.0043075500000000 ] - [ -0.0024993000000000, 0.0020359200000000, 0.0052528800000000 ] - [ -0.0011565600000000, -0.0012610900000000, -0.0063527100000000 ] - [ 0.0043544900000000, 0.0001937100000000, -0.0042977100000000 ] - [ 0.0017330400000000, -0.0005408500000000, -0.0047574000000000 ] - [ 0.0027002200000000, 0.0002590700000000, -0.0049164400000000 ] - [ 0.0017330400000000, 0.0005408500000000, -0.0047574000000000 ] - [ 0.0027002200000000, -0.0002590700000000, -0.0049164400000000 ] - [ -0.0011565600000000, 0.0012610900000000, -0.0063527100000000 ] - [ 0.0043544900000000, -0.0001937100000000, -0.0042977100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0026615400000000, -0.0788807300000000, 0.0049065800000000 ] - [ -0.0020628600000000, -0.0013410200000000, 0.0041208600000000 ] - [ -0.0023863400000000, 0.0088296800000000, 0.0047318700000000 ] - [ -0.0018505200000000, 0.0002754200000000, 0.0041347000000000 ] - [ -0.0020615700000000, 0.0027895600000000, 0.0041223800000000 ] - [ -0.0020623200000000, 0.0007988000000000, 0.0041222900000000 ] - [ -0.0017397800000000, 0.0087212300000000, 0.0035243400000000 ] - [ -0.0022743700000000, 0.0002781300000000, 0.0041088800000000 ] - [ 0.0095962500000000, 0.0012332900000000, -0.0015729300000000 ] - [ 0.0001874500000000, -0.0007250200000000, -0.0043858300000000 ] - [ 0.0027888200000000, 0.0017226400000000, -0.0039625700000000 ] - [ 0.0016736400000000, 0.0009274700000000, -0.0041264900000000 ] - [ 0.0013424300000000, 0.0017246500000000, -0.0042822400000000 ] - [ 0.0024475300000000, 0.0009279600000000, -0.0041190100000000 ] - [ -0.0054336800000000, 0.0012657100000000, -0.0066454700000000 ] - [ 0.0039316800000000, -0.0007165400000000, -0.0038658500000000 ] - [ -0.0020623200000000, -0.0012475000000000, -0.0041220300000000 ] - [ -0.0020628800000000, -0.0012471700000000, -0.0041220300000000 ] - [ -0.0017320100000000, 0.0002656600000000, -0.0044933200000000 ] - [ -0.0025403100000000, 0.0002667100000000, -0.0043060900000000 ] - [ -0.0020622000000000, 0.0008596900000000, -0.0041226000000000 ] - [ -0.0020623100000000, 0.0008592700000000, -0.0041220700000000 ] - [ -0.0023925800000000, 0.0002699100000000, -0.0037518200000000 ] - [ -0.0015849800000000, 0.0002690200000000, -0.0039377400000000 ] - [ 0.0024546300000000, -0.0009732600000000, 0.0031975700000000 ] - [ 0.0021190800000000, -0.0004866600000000, 0.0041180000000000 ] - [ 0.0020130800000000, 0.0009002600000000, 0.0040855900000000 ] - [ 0.0020683400000000, 0.0004764200000000, 0.0042057400000000 ] - [ 0.0021121500000000, 0.0009012100000000, 0.0041593400000000 ] - [ 0.0020557700000000, 0.0004786400000000, 0.0040395400000000 ] - [ 0.0016734300000000, -0.0009654700000000, 0.0050433900000000 ] - [ 0.0020031900000000, -0.0004842900000000, 0.0041272500000000 ] - [ -0.0033503500000000, -0.0012305300000000, -0.0007699500000000 ] - [ -0.0033488700000000, -0.0029726100000000, -0.0007658400000000 ] - [ -0.0028545800000000, 0.0002884500000000, -0.0000458300000000 ] - [ -0.0053280500000000, 0.0021350000000000, 0.0004778700000000 ] - [ -0.0033486900000000, 0.0007822300000000, -0.0007693600000000 ] - [ -0.0033502000000000, 0.0013634700000000, -0.0007682900000000 ] - [ -0.0038437600000000, 0.0002923300000000, -0.0014931600000000 ] - [ -0.0013795500000000, 0.0021224000000000, -0.0020124300000000 ] - [ 0.0055058800000000, 0.0000837000000000, -0.0036676900000000 ] - [ 0.0027098300000000, -0.0012298800000000, -0.0003551300000000 ] - [ 0.0036850400000000, 0.0011342700000000, -0.0012287800000000 ] - [ 0.0030565900000000, 0.0006932700000000, -0.0009508600000000 ] - [ 0.0030145000000000, 0.0011357100000000, -0.0003130300000000 ] - [ 0.0036392400000000, 0.0006942000000000, -0.0005896400000000 ] - [ 0.0011846600000000, 0.0000728300000000, 0.0021351600000000 ] - [ 0.0039906500000000, -0.0012151800000000, -0.0011790400000000 ] - [ -0.0033362300000000, -0.0042945500000000, 0.0007351200000000 ] - [ -0.0033503000000000, -0.0012016300000000, 0.0007697600000000 ] - [ -0.0025480400000000, 0.0011524400000000, 0.0023626800000000 ] - [ -0.0034644800000000, 0.0002093300000000, 0.0011024900000000 ] - [ -0.0033482600000000, 0.0011895700000000, 0.0007715300000000 ] - [ -0.0033485200000000, 0.0007344200000000, 0.0007686700000000 ] - [ -0.0041452600000000, 0.0011526700000000, -0.0008182900000000 ] - [ -0.0032350600000000, 0.0002109000000000, 0.0004370200000000 ] - [ -0.0009263200000000, 0.0005559900000000, -0.0062648400000000 ] - [ 0.0038065400000000, -0.0006784700000000, 0.0008275900000000 ] - [ 0.0029681000000000, 0.0011695800000000, 0.0001717100000000 ] - [ 0.0036096900000000, 0.0006870600000000, 0.0006279000000000 ] - [ 0.0037266800000000, 0.0011702200000000, 0.0013611700000000 ] - [ 0.0030881100000000, 0.0006892500000000, 0.0009114300000000 ] - [ 0.0076016800000000, 0.0005707400000000, 0.0077753900000000 ] - [ 0.0028892000000000, -0.0006765000000000, 0.0007103300000000 ] - [ -0.0003195500000000, 0.0005499600000000, 0.0017556000000000 ] - [ 0.0020011000000000, 0.0007617800000000, 0.0024514900000000 ] - [ 0.0001904500000000, -0.0005165400000000, 0.0011474300000000 ] - [ 0.0006612800000000, -0.0005920600000000, 0.0011640800000000 ] - [ 0.0005613100000000, -0.0005191500000000, 0.0006876200000000 ] - [ 0.0000923500000000, -0.0005932000000000, 0.0006716300000000 ] - [ 0.0010736300000000, 0.0005475100000000, 0.0000768400000000 ] - [ -0.0012490600000000, 0.0007612400000000, -0.0006207500000000 ] - [ 0.0093329600000000, 0.0225411800000000, -0.0129444600000000 ] - [ 0.0006714400000000, 0.0005153700000000, -0.0009010300000000 ] - [ -0.0002628800000000, -0.0026776900000000, 0.0000673000000000 ] - [ 0.0004903700000000, -0.0005161900000000, -0.0009274100000000 ] - [ 0.0010083100000000, -0.0026696800000000, -0.0018917300000000 ] - [ 0.0002631700000000, -0.0005174700000000, -0.0009067300000000 ] - [ -0.0079070000000000, 0.0213365900000000, 0.0102038200000000 ] - [ 0.0000800300000000, 0.0005133300000000, -0.0009302600000000 ] - [ -0.0003837100000000, 0.0012149600000000, -0.0009149500000000 ] - [ -0.0003744800000000, 0.0004609500000000, -0.0009173300000000 ] - [ -0.0003498100000000, -0.0002328500000000, -0.0017627000000000 ] - [ -0.0006668700000000, 0.0000226400000000, -0.0012300900000000 ] - [ -0.0003762000000000, -0.0008099300000000, -0.0009182700000000 ] - [ -0.0003773100000000, -0.0004909700000000, -0.0009175500000000 ] - [ -0.0004039200000000, -0.0002344900000000, -0.0000783900000000 ] - [ -0.0000843400000000, 0.0000206000000000, -0.0006053000000000 ] - [ -0.0003809600000000, 0.0065221900000000, 0.0009137800000000 ] - [ -0.0003770600000000, 0.0014839300000000, 0.0009188900000000 ] - [ -0.0014768300000000, -0.0018421300000000, -0.0008742700000000 ] - [ 0.0000862600000000, -0.0003199400000000, 0.0011019300000000 ] - [ -0.0003772500000000, -0.0013618100000000, 0.0009160900000000 ] - [ -0.0003753800000000, -0.0008007500000000, 0.0009166600000000 ] - [ 0.0007100600000000, -0.0018475800000000, 0.0027029400000000 ] - [ -0.0008353000000000, -0.0003218600000000, 0.0007344700000000 ] - [ -0.0021883500000000, 0.0037368800000000, -0.0049834900000000 ] - [ -0.0021930500000000, 0.0009556300000000, -0.0049814200000000 ] - [ -0.0025311700000000, -0.0012521300000000, -0.0035677500000000 ] - [ -0.0020318900000000, -0.0000976300000000, -0.0048527400000000 ] - [ -0.0021920600000000, -0.0013652000000000, -0.0049793200000000 ] - [ -0.0021900900000000, -0.0007529200000000, -0.0049803500000000 ] - [ -0.0018506500000000, -0.0012588700000000, -0.0063934700000000 ] - [ -0.0023498200000000, -0.0000998500000000, -0.0051082500000000 ] - [ 0.0018156300000000, 0.0009841800000000, 0.0045392300000000 ] - [ 0.0025889800000000, 0.0008061500000000, 0.0047141300000000 ] - [ 0.0019754400000000, -0.0009625100000000, 0.0047647600000000 ] - [ 0.0024543900000000, -0.0007758600000000, 0.0048449200000000 ] - [ 0.0024025900000000, -0.0009620900000000, 0.0051931000000000 ] - [ 0.0019285100000000, -0.0007788700000000, 0.0051125500000000 ] - [ 0.0025682800000000, 0.0009766400000000, 0.0054209700000000 ] - [ 0.0017958000000000, 0.0008029100000000, 0.0052436100000000 ] - [ -0.0021870100000000, 0.0037712800000000, 0.0049761600000000 ] - [ -0.0021882900000000, 0.0066559000000000, 0.0049847100000000 ] - [ -0.0037394200000000, -0.0012110700000000, 0.0057246500000000 ] - [ 0.0001270400000000, -0.0013800900000000, 0.0056953500000000 ] - [ -0.0021919300000000, -0.0013357000000000, 0.0049803300000000 ] - [ -0.0021891000000000, -0.0013949900000000, 0.0049804500000000 ] - [ -0.0006416700000000, -0.0012156400000000, 0.0042344500000000 ] - [ -0.0044973700000000, -0.0013829100000000, 0.0042746800000000 ] - [ 0.0032043300000000, 0.0035065600000000, -0.0059211600000000 ] - [ 0.0013066200000000, 0.0009079100000000, -0.0056795400000000 ] - [ 0.0026476300000000, -0.0023292800000000, -0.0056048700000000 ] - [ 0.0019228600000000, -0.0008305700000000, -0.0051279400000000 ] - [ 0.0017375300000000, -0.0023247000000000, -0.0043588500000000 ] - [ 0.0024606300000000, -0.0008320700000000, -0.0048313000000000 ] - [ 0.0010967700000000, 0.0033806000000000, -0.0038892900000000 ] - [ 0.0030792500000000, 0.0009060200000000, -0.0042775600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0010175800000000, 0.0000000000000000, -0.0492206400000000 ] - [ -0.0021350400000000, 0.0000000000000000, 0.0034078900000000 ] - [ -0.0016905900000000, -0.0006181500000000, 0.0018506100000000 ] - [ -0.0020813300000000, -0.0000137100000000, 0.0037101800000000 ] - [ -0.0019487800000000, 0.0000000000000000, 0.0036697200000000 ] - [ -0.0020421800000000, 0.0000000000000000, 0.0039586600000000 ] - [ -0.0016905900000000, 0.0006181500000000, 0.0018506100000000 ] - [ -0.0020813300000000, 0.0000137100000000, 0.0037101800000000 ] - [ 0.0028804900000000, 0.0025275400000000, -0.0077080100000000 ] - [ 0.0009910100000000, -0.0002608700000000, -0.0063000300000000 ] - [ 0.0021093300000000, 0.0001576600000000, -0.0044376600000000 ] - [ 0.0020688300000000, -0.0000031700000000, -0.0046100800000000 ] - [ 0.0021093300000000, -0.0001576600000000, -0.0044376600000000 ] - [ 0.0020688300000000, 0.0000031700000000, -0.0046100800000000 ] - [ 0.0028804900000000, -0.0025275400000000, -0.0077080100000000 ] - [ 0.0009910100000000, 0.0002608700000000, -0.0063000300000000 ] - [ -0.0022843000000000, 0.0000000000000000, -0.0027295800000000 ] - [ -0.0019817300000000, 0.0000000000000000, -0.0027285600000000 ] - [ -0.0021704200000000, -0.0001840900000000, -0.0031360100000000 ] - [ -0.0018864400000000, -0.0003690200000000, -0.0031359300000000 ] - [ -0.0020166400000000, 0.0000000000000000, -0.0038509400000000 ] - [ -0.0019698100000000, 0.0000000000000000, -0.0038503400000000 ] - [ -0.0021704200000000, 0.0001840900000000, -0.0031360100000000 ] - [ -0.0018864400000000, 0.0003690200000000, -0.0031359300000000 ] - [ 0.0015631200000000, 0.0009269900000000, 0.0068459500000000 ] - [ 0.0019518000000000, 0.0000041700000000, 0.0046791300000000 ] - [ 0.0021511800000000, 0.0000382100000000, 0.0046642200000000 ] - [ 0.0020075500000000, -0.0000834400000000, 0.0043886900000000 ] - [ 0.0021511800000000, -0.0000382100000000, 0.0046642200000000 ] - [ 0.0020075500000000, 0.0000834400000000, 0.0043886900000000 ] - [ 0.0015631200000000, -0.0009269900000000, 0.0068459500000000 ] - [ 0.0019518000000000, -0.0000041700000000, 0.0046791300000000 ] - [ -0.0022768700000000, 0.0000000000000000, -0.0001869800000000 ] - [ -0.0061223300000000, 0.0000000000000000, 0.0003914000000000 ] - [ -0.0029072100000000, 0.0003228700000000, -0.0006887900000000 ] - [ -0.0054314700000000, 0.0023774900000000, 0.0008276900000000 ] - [ -0.0032631900000000, 0.0000000000000000, -0.0007872700000000 ] - [ -0.0033955200000000, 0.0000000000000000, -0.0007316200000000 ] - [ -0.0029072100000000, -0.0003228700000000, -0.0006887900000000 ] - [ -0.0054314700000000, -0.0023774900000000, 0.0008276900000000 ] - [ 0.0008638000000000, -0.0014863800000000, 0.0011324300000000 ] - [ 0.0049379100000000, -0.0015291900000000, -0.0004767900000000 ] - [ 0.0031819000000000, -0.0002847000000000, -0.0009174600000000 ] - [ 0.0035015000000000, -0.0002493900000000, -0.0007471300000000 ] - [ 0.0031819000000000, 0.0002847000000000, -0.0009174600000000 ] - [ 0.0035015000000000, 0.0002493900000000, -0.0007471300000000 ] - [ 0.0008638000000000, 0.0014863800000000, 0.0011324300000000 ] - [ 0.0049379100000000, 0.0015291900000000, -0.0004767900000000 ] - [ -0.0041090400000000, 0.0000000000000000, 0.0135910000000000 ] - [ -0.0036256000000000, 0.0000000000000000, 0.0007922700000000 ] - [ -0.0021327200000000, 0.0017169500000000, 0.0014513300000000 ] - [ -0.0035520800000000, 0.0001014600000000, 0.0007685200000000 ] - [ -0.0032807900000000, 0.0000000000000000, 0.0008248200000000 ] - [ -0.0034024600000000, 0.0000000000000000, 0.0007024000000000 ] - [ -0.0021327200000000, -0.0017169500000000, 0.0014513300000000 ] - [ -0.0035520800000000, -0.0001014600000000, 0.0007685200000000 ] - [ 0.0066059000000000, -0.0039887700000000, 0.0071043400000000 ] - [ 0.0031368400000000, -0.0000955400000000, 0.0006349800000000 ] - [ 0.0033564800000000, -0.0004443800000000, 0.0007224400000000 ] - [ 0.0034190800000000, -0.0000762300000000, 0.0007405000000000 ] - [ 0.0033564800000000, 0.0004443800000000, 0.0007224400000000 ] - [ 0.0034190800000000, 0.0000762300000000, 0.0007405000000000 ] - [ 0.0066059000000000, 0.0039887700000000, 0.0071043400000000 ] - [ 0.0031368400000000, 0.0000955400000000, 0.0006349800000000 ] - [ 0.0010981900000000, 0.0000205900000000, -0.0001352200000000 ] - [ -0.0007003800000000, -0.0001371000000000, -0.0014887100000000 ] - [ 0.0004857600000000, 0.0001397900000000, 0.0007895100000000 ] - [ 0.0003588200000000, 0.0002225300000000, 0.0006502800000000 ] - [ 0.0004857600000000, -0.0001397900000000, 0.0007895100000000 ] - [ 0.0003588200000000, -0.0002225300000000, 0.0006502800000000 ] - [ 0.0010981900000000, -0.0000205900000000, -0.0001352200000000 ] - [ -0.0007003800000000, 0.0001371000000000, -0.0014887100000000 ] - [ -0.0041080600000000, -0.0107020500000000, 0.0104996500000000 ] - [ 0.0000843300000000, 0.0001921600000000, 0.0000939400000000 ] - [ 0.0004749500000000, 0.0001736000000000, -0.0006272000000000 ] - [ 0.0003436500000000, 0.0000534600000000, -0.0007194100000000 ] - [ 0.0004749500000000, -0.0001736000000000, -0.0006272000000000 ] - [ 0.0003436500000000, -0.0000534600000000, -0.0007194100000000 ] - [ -0.0041080600000000, 0.0107020500000000, 0.0104996500000000 ] - [ 0.0000843300000000, -0.0001921600000000, 0.0000939400000000 ] - [ 0.0017264500000000, 0.0000000000000000, -0.0044110700000000 ] - [ -0.0004566100000000, 0.0000000000000000, -0.0016622800000000 ] - [ -0.0003179900000000, -0.0002621600000000, -0.0021533000000000 ] - [ -0.0003654200000000, -0.0000255700000000, -0.0013354700000000 ] - [ -0.0003598000000000, 0.0000000000000000, -0.0011221500000000 ] - [ -0.0003760000000000, 0.0000000000000000, -0.0010611700000000 ] - [ -0.0003179900000000, 0.0002621600000000, -0.0021533000000000 ] - [ -0.0003654200000000, 0.0000255700000000, -0.0013354700000000 ] - [ 0.0002506400000000, 0.0000000000000000, 0.0061440400000000 ] - [ 0.0007080800000000, 0.0000000000000000, 0.0019519700000000 ] - [ -0.0005457900000000, -0.0006804800000000, 0.0015021800000000 ] - [ 0.0001388500000000, -0.0001728000000000, 0.0015006500000000 ] - [ -0.0003690100000000, 0.0000000000000000, 0.0010660600000000 ] - [ -0.0003137100000000, 0.0000000000000000, 0.0010637200000000 ] - [ -0.0005457900000000, 0.0006804800000000, 0.0015021800000000 ] - [ 0.0001388500000000, 0.0001728000000000, 0.0015006500000000 ] - [ -0.0010170800000000, 0.0000000000000000, -0.0096502100000000 ] - [ -0.0027584400000000, 0.0000000000000000, -0.0057323200000000 ] - [ -0.0018569600000000, 0.0013876000000000, -0.0061910300000000 ] - [ -0.0024409600000000, 0.0004082300000000, -0.0053081400000000 ] - [ -0.0021670300000000, 0.0000000000000000, -0.0051788800000000 ] - [ -0.0022350500000000, 0.0000000000000000, -0.0051188000000000 ] - [ -0.0018569600000000, -0.0013876000000000, -0.0061910300000000 ] - [ -0.0024409600000000, -0.0004082300000000, -0.0053081400000000 ] - [ 0.0007178200000000, -0.0013757600000000, 0.0033395900000000 ] - [ 0.0028660100000000, -0.0002180400000000, 0.0040646300000000 ] - [ 0.0019940600000000, -0.0002996900000000, 0.0046160500000000 ] - [ 0.0024035600000000, -0.0002053200000000, 0.0046603600000000 ] - [ 0.0019940600000000, 0.0002996900000000, 0.0046160500000000 ] - [ 0.0024035600000000, 0.0002053200000000, 0.0046603600000000 ] - [ 0.0007178200000000, 0.0013757600000000, 0.0033395900000000 ] - [ 0.0028660100000000, 0.0002180400000000, 0.0040646300000000 ] - [ -0.0005585900000000, 0.0000000000000000, 0.0062173400000000 ] - [ -0.0010529300000000, 0.0000000000000000, 0.0095689600000000 ] - [ -0.0016479500000000, 0.0005505100000000, 0.0056501200000000 ] - [ -0.0028793100000000, 0.0013880500000000, 0.0061313500000000 ] - [ -0.0021455300000000, 0.0000000000000000, 0.0051306300000000 ] - [ -0.0022600300000000, 0.0000000000000000, 0.0051879300000000 ] - [ -0.0016479500000000, -0.0005505100000000, 0.0056501200000000 ] - [ -0.0028793100000000, -0.0013880500000000, 0.0061313500000000 ] - [ 0.0033589200000000, -0.0013552900000000, -0.0015936600000000 ] - [ 0.0015458100000000, -0.0002775600000000, -0.0048342000000000 ] - [ 0.0020994700000000, -0.0009082800000000, -0.0044632100000000 ] - [ 0.0021288100000000, -0.0001251600000000, -0.0048348600000000 ] - [ 0.0020994700000000, 0.0009082800000000, -0.0044632100000000 ] - [ 0.0021288100000000, 0.0001251600000000, -0.0048348600000000 ] - [ 0.0033589200000000, 0.0013552900000000, -0.0015936600000000 ] - [ 0.0015458100000000, 0.0002775600000000, -0.0048342000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0054356600000000, 0.0000000000000000, 0.0572271300000000 ] - [ -0.0019611900000000, 0.0000000000000000, 0.0048235800000000 ] - [ -0.0023914600000000, 0.0005905900000000, 0.0063663200000000 ] - [ -0.0020132800000000, 0.0000128600000000, 0.0045202500000000 ] - [ -0.0021404200000000, 0.0000000000000000, 0.0045573900000000 ] - [ -0.0020512800000000, 0.0000000000000000, 0.0042708900000000 ] - [ -0.0023914600000000, -0.0005905900000000, 0.0063663200000000 ] - [ -0.0020132800000000, -0.0000128600000000, 0.0045202500000000 ] - [ 0.0011909100000000, -0.0025443400000000, -0.0005373300000000 ] - [ 0.0031037100000000, 0.0002587200000000, -0.0019369500000000 ] - [ 0.0019790800000000, -0.0001621900000000, -0.0037939700000000 ] - [ 0.0020235000000000, 0.0000042000000000, -0.0036221100000000 ] - [ 0.0019790800000000, 0.0001621900000000, -0.0037939700000000 ] - [ 0.0020235000000000, -0.0000042000000000, -0.0036221100000000 ] - [ 0.0011909100000000, 0.0025443400000000, -0.0005373300000000 ] - [ 0.0031037100000000, -0.0002587200000000, -0.0019369500000000 ] - [ -0.0018039800000000, 0.0000000000000000, -0.0055036200000000 ] - [ -0.0021136800000000, 0.0000000000000000, -0.0055019000000000 ] - [ -0.0019224500000000, 0.0001851900000000, -0.0050963100000000 ] - [ -0.0022103900000000, 0.0003723200000000, -0.0050960500000000 ] - [ -0.0020745400000000, 0.0000000000000000, -0.0043787100000000 ] - [ -0.0021235500000000, 0.0000000000000000, -0.0043807500000000 ] - [ -0.0019224500000000, -0.0001851900000000, -0.0050963100000000 ] - [ -0.0022103900000000, -0.0003723200000000, -0.0050960500000000 ] - [ 0.0025291300000000, -0.0009183200000000, 0.0013885600000000 ] - [ 0.0021399200000000, -0.0000039400000000, 0.0035514600000000 ] - [ 0.0019415500000000, -0.0000360700000000, 0.0035666900000000 ] - [ 0.0020845900000000, 0.0000828700000000, 0.0038410900000000 ] - [ 0.0019415500000000, 0.0000360700000000, 0.0035666900000000 ] - [ 0.0020845900000000, -0.0000828700000000, 0.0038410900000000 ] - [ 0.0025291300000000, 0.0009183200000000, 0.0013885600000000 ] - [ 0.0021399200000000, 0.0000039400000000, 0.0035514600000000 ] - [ -0.0044246200000000, 0.0000000000000000, -0.0013710000000000 ] - [ -0.0005821100000000, 0.0000000000000000, -0.0019289300000000 ] - [ -0.0037867800000000, -0.0003234200000000, -0.0008550200000000 ] - [ -0.0012766700000000, -0.0023619700000000, -0.0023551400000000 ] - [ -0.0034322200000000, 0.0000000000000000, -0.0007521200000000 ] - [ -0.0032971500000000, 0.0000000000000000, -0.0008086300000000 ] - [ -0.0037867800000000, 0.0003234200000000, -0.0008550200000000 ] - [ -0.0012766700000000, 0.0023619700000000, -0.0023551400000000 ] - [ 0.0058496000000000, 0.0014976700000000, -0.0026807400000000 ] - [ 0.0017598000000000, 0.0015298500000000, -0.0010628500000000 ] - [ 0.0035120800000000, 0.0002842500000000, -0.0006164600000000 ] - [ 0.0031940800000000, 0.0002495000000000, -0.0007910600000000 ] - [ 0.0035120800000000, -0.0002842500000000, -0.0006164600000000 ] - [ 0.0031940800000000, -0.0002495000000000, -0.0007910600000000 ] - [ 0.0058496000000000, -0.0014976700000000, -0.0026807400000000 ] - [ 0.0017598000000000, -0.0015298500000000, -0.0010628500000000 ] - [ -0.0025814300000000, 0.0000000000000000, -0.0119252400000000 ] - [ -0.0030760600000000, 0.0000000000000000, 0.0007446200000000 ] - [ -0.0045534300000000, -0.0017102200000000, 0.0000843600000000 ] - [ -0.0031453900000000, -0.0001024400000000, 0.0007667100000000 ] - [ -0.0034147500000000, 0.0000000000000000, 0.0007116800000000 ] - [ -0.0032921100000000, 0.0000000000000000, 0.0008318300000000 ] - [ -0.0045534300000000, 0.0017102200000000, 0.0000843600000000 ] - [ -0.0031453900000000, 0.0001024400000000, 0.0007667100000000 ] - [ 0.0000702200000000, 0.0040206800000000, -0.0055864500000000 ] - [ 0.0035576100000000, 0.0000954900000000, 0.0009039500000000 ] - [ 0.0033391000000000, 0.0004449900000000, 0.0008165400000000 ] - [ 0.0032747000000000, 0.0000753800000000, 0.0007972800000000 ] - [ 0.0033391000000000, -0.0004449900000000, 0.0008165400000000 ] - [ 0.0032747000000000, -0.0000753800000000, 0.0007972800000000 ] - [ 0.0000702200000000, -0.0040206800000000, -0.0055864500000000 ] - [ 0.0035576100000000, -0.0000954900000000, 0.0009039500000000 ] - [ -0.0003492900000000, -0.0000205700000000, 0.0019674800000000 ] - [ 0.0014552000000000, 0.0001381300000000, 0.0033203500000000 ] - [ 0.0002661200000000, -0.0001388700000000, 0.0010409900000000 ] - [ 0.0003924400000000, -0.0002243400000000, 0.0011794700000000 ] - [ 0.0002661200000000, 0.0001388700000000, 0.0010409900000000 ] - [ 0.0003924400000000, 0.0002243400000000, 0.0011794700000000 ] - [ -0.0003492900000000, 0.0000205700000000, 0.0019674800000000 ] - [ 0.0014552000000000, -0.0001381300000000, 0.0033203500000000 ] - [ 0.0050417800000000, 0.0111278000000000, -0.0124096500000000 ] - [ 0.0006698700000000, -0.0001940500000000, -0.0019282000000000 ] - [ 0.0002794800000000, -0.0001669300000000, -0.0012110400000000 ] - [ 0.0004089000000000, -0.0000532200000000, -0.0011136800000000 ] - [ 0.0002794800000000, 0.0001669300000000, -0.0012110400000000 ] - [ 0.0004089000000000, 0.0000532200000000, -0.0011136800000000 ] - [ 0.0050417800000000, -0.0111278000000000, -0.0124096500000000 ] - [ 0.0006698700000000, 0.0001940500000000, -0.0019282000000000 ] - [ -0.0024664500000000, 0.0000000000000000, 0.0025681200000000 ] - [ -0.0002926200000000, 0.0000000000000000, -0.0001682200000000 ] - [ -0.0004341300000000, 0.0002582700000000, 0.0003179000000000 ] - [ -0.0003849400000000, 0.0000259300000000, -0.0004967800000000 ] - [ -0.0003915900000000, 0.0000000000000000, -0.0007088600000000 ] - [ -0.0003766400000000, 0.0000000000000000, -0.0007705400000000 ] - [ -0.0004341300000000, -0.0002582700000000, 0.0003179000000000 ] - [ -0.0003849400000000, -0.0000259300000000, -0.0004967800000000 ] - [ -0.0006587200000000, 0.0000000000000000, -0.0040839900000000 ] - [ -0.0014565300000000, 0.0000000000000000, -0.0001168000000000 ] - [ -0.0002078200000000, 0.0006874000000000, 0.0003405800000000 ] - [ -0.0008858900000000, 0.0001726000000000, 0.0003330300000000 ] - [ -0.0003813000000000, 0.0000000000000000, 0.0007671600000000 ] - [ -0.0004359400000000, 0.0000000000000000, 0.0007665600000000 ] - [ -0.0002078200000000, -0.0006874000000000, 0.0003405800000000 ] - [ -0.0008858900000000, -0.0001726000000000, 0.0003330300000000 ] - [ -0.0033731400000000, 0.0000000000000000, -0.0002731900000000 ] - [ -0.0016202500000000, 0.0000000000000000, -0.0042178400000000 ] - [ -0.0025241000000000, -0.0013874700000000, -0.0037663400000000 ] - [ -0.0019375400000000, -0.0004092600000000, -0.0046431400000000 ] - [ -0.0022146500000000, 0.0000000000000000, -0.0047721200000000 ] - [ -0.0021438600000000, 0.0000000000000000, -0.0048329100000000 ] - [ -0.0025241000000000, 0.0013874700000000, -0.0037663400000000 ] - [ -0.0019375400000000, 0.0004092600000000, -0.0046431400000000 ] - [ 0.0036518600000000, 0.0013685600000000, 0.0066095400000000 ] - [ 0.0015185200000000, 0.0002187900000000, 0.0058834900000000 ] - [ 0.0023823300000000, 0.0002965700000000, 0.0053332300000000 ] - [ 0.0019759500000000, 0.0002056400000000, 0.0052875800000000 ] - [ 0.0023823300000000, -0.0002965700000000, 0.0053332300000000 ] - [ 0.0019759500000000, -0.0002056400000000, 0.0052875800000000 ] - [ 0.0036518600000000, -0.0013685600000000, 0.0066095400000000 ] - [ 0.0015185200000000, -0.0002187900000000, 0.0058834900000000 ] - [ -0.0038155100000000, 0.0000000000000000, 0.0037199600000000 ] - [ -0.0035054400000000, 0.0000000000000000, 0.0003075500000000 ] - [ -0.0027269500000000, -0.0005473100000000, 0.0042920600000000 ] - [ -0.0015060600000000, -0.0013865200000000, 0.0038120700000000 ] - [ -0.0022331100000000, 0.0000000000000000, 0.0048157500000000 ] - [ -0.0021209600000000, 0.0000000000000000, 0.0047583800000000 ] - [ -0.0027269500000000, 0.0005473100000000, 0.0042920600000000 ] - [ -0.0015060600000000, 0.0013865200000000, 0.0038120700000000 ] - [ 0.0009385500000000, 0.0015157300000000, -0.0082036900000000 ] - [ 0.0028389600000000, 0.0002774900000000, -0.0051121200000000 ] - [ 0.0022778300000000, 0.0009044700000000, -0.0054803900000000 ] - [ 0.0022549200000000, 0.0001257800000000, -0.0051131300000000 ] - [ 0.0022778300000000, -0.0009044700000000, -0.0054803900000000 ] - [ 0.0022549200000000, -0.0001257800000000, -0.0051131300000000 ] - [ 0.0009385500000000, -0.0015157300000000, -0.0082036900000000 ] - [ 0.0028389600000000, -0.0002774900000000, -0.0051121200000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013820900000000, 0.0000000000000000, 0.0051877300000000 ] - [ -0.0017388500000000, 0.0000000000000000, 0.0013410600000000 ] - [ -0.0016402200000000, -0.0004953800000000, 0.0045492200000000 ] - [ -0.0010597400000000, 0.0019743900000000, 0.0020318900000000 ] - [ -0.0019175700000000, 0.0000000000000000, 0.0041947500000000 ] - [ -0.0021520000000000, 0.0000000000000000, 0.0040612600000000 ] - [ -0.0016402200000000, 0.0004953800000000, 0.0045492200000000 ] - [ -0.0010597400000000, -0.0019743900000000, 0.0020318900000000 ] - [ -0.0004001300000000, -0.0042592800000000, -0.0008490200000000 ] - [ 0.0035124400000000, 0.0004598600000000, -0.0043232000000000 ] - [ 0.0016312400000000, -0.0003801300000000, -0.0041002400000000 ] - [ 0.0025743500000000, 0.0002612900000000, -0.0040383300000000 ] - [ 0.0016312400000000, 0.0003801300000000, -0.0041002400000000 ] - [ 0.0025743500000000, -0.0002612900000000, -0.0040383300000000 ] - [ -0.0004001300000000, 0.0042592800000000, -0.0008490200000000 ] - [ 0.0035124400000000, -0.0004598600000000, -0.0043232000000000 ] - [ -0.0071343000000000, 0.0000000000000000, -0.0033727700000000 ] - [ -0.0008192700000000, 0.0000000000000000, -0.0038344800000000 ] - [ -0.0038368100000000, -0.0007984200000000, -0.0053184700000000 ] - [ -0.0012195500000000, 0.0001160400000000, -0.0039061000000000 ] - [ -0.0022969400000000, 0.0000000000000000, -0.0041761600000000 ] - [ -0.0017562000000000, 0.0000000000000000, -0.0040556600000000 ] - [ -0.0038368100000000, 0.0007984200000000, -0.0053184700000000 ] - [ -0.0012195500000000, -0.0001160400000000, -0.0039061000000000 ] - [ 0.0041430400000000, -0.0006366700000000, 0.0025224400000000 ] - [ 0.0028376900000000, 0.0021605100000000, 0.0066131800000000 ] - [ 0.0022762500000000, -0.0002905200000000, 0.0039564500000000 ] - [ 0.0017140500000000, 0.0003342700000000, 0.0042739100000000 ] - [ 0.0022762500000000, 0.0002905200000000, 0.0039564500000000 ] - [ 0.0017140500000000, -0.0003342700000000, 0.0042739100000000 ] - [ 0.0041430400000000, 0.0006366700000000, 0.0025224400000000 ] - [ 0.0028376900000000, -0.0021605100000000, 0.0066131800000000 ] - [ -0.0744416400000000, 0.0000000000000000, -0.0166372200000000 ] - [ 0.0023959300000000, 0.0000000000000000, 0.0011467900000000 ] - [ -0.0064217200000000, -0.0000391900000000, 0.0003157500000000 ] - [ -0.0021047900000000, 0.0000279900000000, -0.0009074200000000 ] - [ -0.0038577600000000, 0.0000000000000000, -0.0005913900000000 ] - [ -0.0029040500000000, 0.0000000000000000, -0.0008636900000000 ] - [ -0.0064217200000000, 0.0000391900000000, 0.0003157500000000 ] - [ -0.0021047900000000, -0.0000279900000000, -0.0009074200000000 ] - [ 0.0029281800000000, 0.0000666900000000, -0.0002168300000000 ] - [ 0.0039114100000000, 0.0001292300000000, -0.0009506600000000 ] - [ 0.0032658100000000, -0.0001707600000000, -0.0008469300000000 ] - [ 0.0036404500000000, 0.0002239700000000, -0.0008350700000000 ] - [ 0.0032658100000000, 0.0001707600000000, -0.0008469300000000 ] - [ 0.0036404500000000, -0.0002239700000000, -0.0008350700000000 ] - [ 0.0029281800000000, -0.0000666900000000, -0.0002168300000000 ] - [ 0.0039114100000000, -0.0001292300000000, -0.0009506600000000 ] - [ 0.0122067000000000, 0.0000000000000000, -0.0024800400000000 ] - [ 0.0123870600000000, 0.0000000000000000, -0.0038100900000000 ] - [ -0.0022741900000000, -0.0018347700000000, 0.0019227600000000 ] - [ -0.0022787700000000, 0.0018025700000000, 0.0017836100000000 ] - [ -0.0033106900000000, 0.0000000000000000, 0.0007999500000000 ] - [ -0.0033110300000000, 0.0000000000000000, 0.0008389400000000 ] - [ -0.0022741900000000, 0.0018347700000000, 0.0019227600000000 ] - [ -0.0022787700000000, -0.0018025700000000, 0.0017836100000000 ] - [ 0.0037717600000000, 0.0000304900000000, 0.0006696700000000 ] - [ 0.0025933700000000, 0.0001501900000000, 0.0008592600000000 ] - [ 0.0037137200000000, -0.0000694000000000, 0.0007699600000000 ] - [ 0.0027251100000000, 0.0000104900000000, 0.0005818700000000 ] - [ 0.0037137200000000, 0.0000694000000000, 0.0007699600000000 ] - [ 0.0027251100000000, -0.0000104900000000, 0.0005818700000000 ] - [ 0.0037717600000000, -0.0000304900000000, 0.0006696700000000 ] - [ 0.0025933700000000, -0.0001501900000000, 0.0008592600000000 ] - [ 0.0016350500000000, -0.0006051900000000, 0.0004086100000000 ] - [ -0.0005792700000000, -0.0000028400000000, 0.0013379800000000 ] - [ 0.0007679100000000, 0.0002810000000000, 0.0009886400000000 ] - [ 0.0000415700000000, -0.0000214800000000, 0.0010120900000000 ] - [ 0.0007679100000000, -0.0002810000000000, 0.0009886400000000 ] - [ 0.0000415700000000, 0.0000214800000000, 0.0010120900000000 ] - [ 0.0016350500000000, 0.0006051900000000, 0.0004086100000000 ] - [ -0.0005792700000000, 0.0000028400000000, 0.0013379800000000 ] - [ -0.0001732600000000, 0.0003182400000000, -0.0018517000000000 ] - [ -0.0000710900000000, -0.0003924400000000, -0.0000570500000000 ] - [ 0.0003606800000000, 0.0002269400000000, -0.0010859600000000 ] - [ 0.0002424500000000, -0.0006190800000000, -0.0005772900000000 ] - [ 0.0003606800000000, -0.0002269400000000, -0.0010859600000000 ] - [ 0.0002424500000000, 0.0006190800000000, -0.0005772900000000 ] - [ -0.0001732600000000, -0.0003182400000000, -0.0018517000000000 ] - [ -0.0000710900000000, 0.0003924400000000, -0.0000570500000000 ] - [ -0.0039858100000000, 0.0000000000000000, 0.0010962000000000 ] - [ 0.0164121900000000, 0.0000000000000000, 0.0137468900000000 ] - [ -0.0015150500000000, 0.0006991500000000, -0.0008362700000000 ] - [ 0.0009763400000000, -0.0012123400000000, -0.0011114900000000 ] - [ -0.0006709000000000, 0.0000000000000000, -0.0009392300000000 ] - [ -0.0000729600000000, 0.0000000000000000, -0.0009263700000000 ] - [ -0.0015150500000000, -0.0006991500000000, -0.0008362700000000 ] - [ 0.0009763400000000, 0.0012123400000000, -0.0011114900000000 ] - [ 0.0065909200000000, 0.0000000000000000, 0.0047770200000000 ] - [ -0.0038652500000000, 0.0000000000000000, 0.0033720700000000 ] - [ 0.0000021400000000, 0.0012814900000000, 0.0009616500000000 ] - [ -0.0014174200000000, -0.0004118100000000, 0.0009163000000000 ] - [ -0.0002700100000000, 0.0000000000000000, 0.0009827900000000 ] - [ -0.0005160200000000, 0.0000000000000000, 0.0007895100000000 ] - [ 0.0000021400000000, -0.0012814900000000, 0.0009616500000000 ] - [ -0.0014174200000000, 0.0004118100000000, 0.0009163000000000 ] - [ -0.0019853200000000, 0.0000000000000000, -0.0042364100000000 ] - [ -0.0028835000000000, 0.0000000000000000, -0.0060319400000000 ] - [ -0.0023179200000000, 0.0004011800000000, -0.0044041900000000 ] - [ -0.0023396900000000, -0.0005742500000000, -0.0051858400000000 ] - [ -0.0022446000000000, 0.0000000000000000, -0.0049374500000000 ] - [ -0.0021289900000000, 0.0000000000000000, -0.0049054500000000 ] - [ -0.0023179200000000, -0.0004011800000000, -0.0044041900000000 ] - [ -0.0023396900000000, 0.0005742500000000, -0.0051858400000000 ] - [ 0.0087502200000000, -0.0013169400000000, 0.0033181700000000 ] - [ -0.0005458900000000, -0.0014526000000000, 0.0040289100000000 ] - [ 0.0026545800000000, 0.0010429400000000, 0.0049808700000000 ] - [ 0.0017400900000000, -0.0003657400000000, 0.0048049400000000 ] - [ 0.0026545800000000, -0.0010429400000000, 0.0049808700000000 ] - [ 0.0017400900000000, 0.0003657400000000, 0.0048049400000000 ] - [ 0.0087502200000000, 0.0013169400000000, 0.0033181700000000 ] - [ -0.0005458900000000, 0.0014526000000000, 0.0040289100000000 ] - [ -0.0003731500000000, 0.0000000000000000, 0.0045789400000000 ] - [ -0.0032283700000000, 0.0000000000000000, 0.0050329100000000 ] - [ -0.0010966700000000, 0.0002309900000000, 0.0049885000000000 ] - [ -0.0029004600000000, -0.0000367100000000, 0.0049871200000000 ] - [ -0.0018164100000000, 0.0000000000000000, 0.0050024300000000 ] - [ -0.0025636800000000, 0.0000000000000000, 0.0049807200000000 ] - [ -0.0010966700000000, -0.0002309900000000, 0.0049885000000000 ] - [ -0.0029004600000000, 0.0000367100000000, 0.0049871200000000 ] - [ -0.0004557700000000, 0.0013496000000000, -0.0060676600000000 ] - [ 0.0095988200000000, 0.0012401600000000, -0.0060539600000000 ] - [ 0.0015853600000000, 0.0003928000000000, -0.0050896500000000 ] - [ 0.0028716100000000, -0.0009536700000000, -0.0050362000000000 ] - [ 0.0015853600000000, -0.0003928000000000, -0.0050896500000000 ] - [ 0.0028716100000000, 0.0009536700000000, -0.0050362000000000 ] - [ -0.0004557700000000, -0.0013496000000000, -0.0060676600000000 ] - [ 0.0095988200000000, -0.0012401600000000, -0.0060539600000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0026673800000000, 0.0000000000000000, 0.0030410400000000 ] - [ -0.0023405300000000, 0.0000000000000000, 0.0068794900000000 ] - [ -0.0024263300000000, 0.0004944300000000, 0.0036691800000000 ] - [ -0.0030046300000000, -0.0019735400000000, 0.0061849100000000 ] - [ -0.0021488100000000, 0.0000000000000000, 0.0040243000000000 ] - [ -0.0019176800000000, 0.0000000000000000, 0.0041591500000000 ] - [ -0.0024263300000000, -0.0004944300000000, 0.0036691800000000 ] - [ -0.0030046300000000, 0.0019735400000000, 0.0061849100000000 ] - [ 0.0044894800000000, 0.0042679900000000, -0.0073830000000000 ] - [ 0.0005582600000000, -0.0004572200000000, -0.0039015800000000 ] - [ 0.0024366400000000, 0.0003777600000000, -0.0041166100000000 ] - [ 0.0014943000000000, -0.0002601600000000, -0.0041810000000000 ] - [ 0.0024366400000000, -0.0003777600000000, -0.0041166100000000 ] - [ 0.0014943000000000, 0.0002601600000000, -0.0041810000000000 ] - [ 0.0044894800000000, -0.0042679900000000, -0.0073830000000000 ] - [ 0.0005582600000000, 0.0004572200000000, -0.0039015800000000 ] - [ 0.0030681400000000, 0.0000000000000000, -0.0049001400000000 ] - [ -0.0032499800000000, 0.0000000000000000, -0.0043825800000000 ] - [ -0.0002249700000000, 0.0007980100000000, -0.0028965600000000 ] - [ -0.0028497500000000, -0.0001142400000000, -0.0043119700000000 ] - [ -0.0017688800000000, 0.0000000000000000, -0.0040413200000000 ] - [ -0.0023139800000000, 0.0000000000000000, -0.0041656000000000 ] - [ -0.0002249700000000, -0.0007980100000000, -0.0028965600000000 ] - [ -0.0028497500000000, 0.0001142400000000, -0.0043119700000000 ] - [ -0.0000654000000000, 0.0006443400000000, 0.0057002700000000 ] - [ 0.0012374400000000, -0.0021613500000000, 0.0016265400000000 ] - [ 0.0017936800000000, 0.0002914800000000, 0.0042631900000000 ] - [ 0.0023544600000000, -0.0003359400000000, 0.0039427700000000 ] - [ 0.0017936800000000, -0.0002914800000000, 0.0042631900000000 ] - [ 0.0023544600000000, 0.0003359400000000, 0.0039427700000000 ] - [ -0.0000654000000000, -0.0006443400000000, 0.0057002700000000 ] - [ 0.0012374400000000, 0.0021613500000000, 0.0016265400000000 ] - [ 0.0675066200000000, 0.0000000000000000, 0.0147523700000000 ] - [ -0.0090922400000000, 0.0000000000000000, -0.0026829000000000 ] - [ -0.0002698900000000, 0.0000249100000000, -0.0018535600000000 ] - [ -0.0045885900000000, -0.0000252800000000, -0.0006288800000000 ] - [ -0.0028336700000000, 0.0000000000000000, -0.0009430200000000 ] - [ -0.0037888200000000, 0.0000000000000000, -0.0006738500000000 ] - [ -0.0002698900000000, -0.0000249100000000, -0.0018535600000000 ] - [ -0.0045885900000000, 0.0000252800000000, -0.0006288800000000 ] - [ 0.0037673400000000, -0.0000705500000000, -0.0013234800000000 ] - [ 0.0027819500000000, -0.0001297900000000, -0.0005858200000000 ] - [ 0.0034273200000000, 0.0001705800000000, -0.0006882700000000 ] - [ 0.0030533800000000, -0.0002233200000000, -0.0007023100000000 ] - [ 0.0034273200000000, -0.0001705800000000, -0.0006882700000000 ] - [ 0.0030533800000000, 0.0002233200000000, -0.0007023100000000 ] - [ 0.0037673400000000, 0.0000705500000000, -0.0013234800000000 ] - [ 0.0027819500000000, 0.0001297900000000, -0.0005858200000000 ] - [ -0.0190873000000000, 0.0000000000000000, 0.0040597300000000 ] - [ -0.0189064700000000, 0.0000000000000000, 0.0053168100000000 ] - [ -0.0044159900000000, 0.0018338000000000, -0.0003839900000000 ] - [ -0.0044203700000000, -0.0018069300000000, -0.0002509100000000 ] - [ -0.0033813000000000, 0.0000000000000000, 0.0007379300000000 ] - [ -0.0033814600000000, 0.0000000000000000, 0.0006964200000000 ] - [ -0.0044159900000000, -0.0018338000000000, -0.0003839900000000 ] - [ -0.0044203700000000, 0.0018069300000000, -0.0002509100000000 ] - [ 0.0029234400000000, -0.0000323500000000, 0.0008662700000000 ] - [ 0.0040978000000000, -0.0001523500000000, 0.0006759900000000 ] - [ 0.0029800400000000, 0.0000696600000000, 0.0007663900000000 ] - [ 0.0039686800000000, -0.0000104300000000, 0.0009548500000000 ] - [ 0.0029800400000000, -0.0000696600000000, 0.0007663900000000 ] - [ 0.0039686800000000, 0.0000104300000000, 0.0009548500000000 ] - [ 0.0029234400000000, 0.0000323500000000, 0.0008662700000000 ] - [ 0.0040978000000000, 0.0001523500000000, 0.0006759900000000 ] - [ -0.0008780100000000, 0.0006195200000000, 0.0014280600000000 ] - [ 0.0013284600000000, 0.0000019600000000, 0.0004933700000000 ] - [ -0.0000171100000000, -0.0002801400000000, 0.0008444900000000 ] - [ 0.0007094500000000, 0.0000206800000000, 0.0008195600000000 ] - [ -0.0000171100000000, 0.0002801400000000, 0.0008444900000000 ] - [ 0.0007094500000000, -0.0000206800000000, 0.0008195600000000 ] - [ -0.0008780100000000, -0.0006195200000000, 0.0014280600000000 ] - [ 0.0013284600000000, -0.0000019600000000, 0.0004933700000000 ] - [ 0.0009236500000000, -0.0003160000000000, 0.0000179500000000 ] - [ 0.0008232800000000, 0.0003935500000000, -0.0017750100000000 ] - [ 0.0003904200000000, -0.0002253300000000, -0.0007467700000000 ] - [ 0.0005100700000000, 0.0006187100000000, -0.0012547500000000 ] - [ 0.0003904200000000, 0.0002253300000000, -0.0007467700000000 ] - [ 0.0005100700000000, -0.0006187100000000, -0.0012547500000000 ] - [ 0.0009236500000000, 0.0003160000000000, 0.0000179500000000 ] - [ 0.0008232800000000, -0.0003935500000000, -0.0017750100000000 ] - [ 0.0032444400000000, 0.0000000000000000, -0.0029471400000000 ] - [ -0.0165954600000000, 0.0000000000000000, -0.0146645500000000 ] - [ 0.0007643200000000, -0.0007009100000000, -0.0009961100000000 ] - [ -0.0017238000000000, 0.0012129100000000, -0.0007174600000000 ] - [ -0.0000798800000000, 0.0000000000000000, -0.0008914000000000 ] - [ -0.0006789100000000, 0.0000000000000000, -0.0009049300000000 ] - [ 0.0007643200000000, 0.0007009100000000, -0.0009961100000000 ] - [ -0.0017238000000000, -0.0012129100000000, -0.0007174600000000 ] - [ -0.0077566100000000, 0.0000000000000000, -0.0034908200000000 ] - [ 0.0031123600000000, 0.0000000000000000, -0.0015229100000000 ] - [ -0.0007554500000000, -0.0012806300000000, 0.0008691900000000 ] - [ 0.0006699000000000, 0.0004101200000000, 0.0009147600000000 ] - [ -0.0004814000000000, 0.0000000000000000, 0.0008480500000000 ] - [ -0.0002317100000000, 0.0000000000000000, 0.0010408200000000 ] - [ -0.0007554500000000, 0.0012806300000000, 0.0008691900000000 ] - [ 0.0006699000000000, -0.0004101200000000, 0.0009147600000000 ] - [ -0.0024010400000000, 0.0000000000000000, -0.0057019000000000 ] - [ -0.0014901500000000, 0.0000000000000000, -0.0039048500000000 ] - [ -0.0020600500000000, -0.0003993300000000, -0.0055368400000000 ] - [ -0.0020359200000000, 0.0005753300000000, -0.0047516700000000 ] - [ -0.0021336200000000, 0.0000000000000000, -0.0049987000000000 ] - [ -0.0022475200000000, 0.0000000000000000, -0.0050321400000000 ] - [ -0.0020600500000000, 0.0003993300000000, -0.0055368400000000 ] - [ -0.0020359200000000, -0.0005753300000000, -0.0047516700000000 ] - [ -0.0045240600000000, 0.0015130100000000, 0.0067519100000000 ] - [ 0.0049255300000000, 0.0014481600000000, 0.0059043900000000 ] - [ 0.0017195400000000, -0.0010467300000000, 0.0049576600000000 ] - [ 0.0026380400000000, 0.0003678300000000, 0.0051318300000000 ] - [ 0.0017195400000000, 0.0010467300000000, 0.0049576600000000 ] - [ 0.0026380400000000, -0.0003678300000000, 0.0051318300000000 ] - [ -0.0045240600000000, -0.0015130100000000, 0.0067519100000000 ] - [ 0.0049255300000000, -0.0014481600000000, 0.0059043900000000 ] - [ -0.0040016200000000, 0.0000000000000000, 0.0053576400000000 ] - [ -0.0011499300000000, 0.0000000000000000, 0.0049073400000000 ] - [ -0.0032793700000000, -0.0002286000000000, 0.0049474700000000 ] - [ -0.0014770400000000, 0.0000371000000000, 0.0049511100000000 ] - [ -0.0025608900000000, 0.0000000000000000, 0.0049329800000000 ] - [ -0.0018131000000000, 0.0000000000000000, 0.0049556500000000 ] - [ -0.0032793700000000, 0.0002286000000000, 0.0049474700000000 ] - [ -0.0014770400000000, -0.0000371000000000, 0.0049511100000000 ] - [ 0.0048329200000000, -0.0013555600000000, -0.0038635800000000 ] - [ -0.0051008600000000, -0.0010344500000000, -0.0040144200000000 ] - [ 0.0027932200000000, -0.0003936000000000, -0.0048467100000000 ] - [ 0.0015090000000000, 0.0009544600000000, -0.0049013400000000 ] - [ 0.0027932200000000, 0.0003936000000000, -0.0048467100000000 ] - [ 0.0015090000000000, -0.0009544600000000, -0.0049013400000000 ] - [ 0.0048329200000000, 0.0013555600000000, -0.0038635800000000 ] - [ -0.0051008600000000, 0.0010344500000000, -0.0040144200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020573900000000, -0.0012296800000000, 0.0041254800000000 ] - [ -0.0020566400000000, -0.0029719200000000, 0.0041203500000000 ] - [ -0.0026173500000000, 0.0002875900000000, 0.0037978000000000 ] - [ -0.0005992700000000, 0.0021334400000000, 0.0017467000000000 ] - [ -0.0020604600000000, 0.0007818000000000, 0.0041216500000000 ] - [ -0.0020595300000000, 0.0013632500000000, 0.0041209300000000 ] - [ -0.0015014700000000, 0.0002932100000000, 0.0044455900000000 ] - [ -0.0035167200000000, 0.0021239400000000, 0.0064868400000000 ] - [ -0.0001580900000000, 0.0005461800000000, -0.0081241500000000 ] - [ 0.0022377700000000, -0.0006793800000000, -0.0042158900000000 ] - [ 0.0018886300000000, 0.0011683900000000, -0.0045689500000000 ] - [ 0.0023147500000000, 0.0006877500000000, -0.0041979400000000 ] - [ 0.0022305200000000, 0.0011710600000000, -0.0036794800000000 ] - [ 0.0018082500000000, 0.0006878900000000, -0.0040460900000000 ] - [ 0.0042646200000000, 0.0005809800000000, -0.0001155000000000 ] - [ 0.0018857800000000, -0.0006749800000000, -0.0040252000000000 ] - [ -0.0020454900000000, -0.0042945700000000, -0.0041401700000000 ] - [ -0.0020629900000000, -0.0012011200000000, -0.0041232200000000 ] - [ -0.0012619400000000, 0.0011514500000000, -0.0024044000000000 ] - [ -0.0021961200000000, 0.0002090800000000, -0.0040200200000000 ] - [ -0.0020603000000000, 0.0011893100000000, -0.0041211000000000 ] - [ -0.0020602000000000, 0.0007339600000000, -0.0041216500000000 ] - [ -0.0028533000000000, 0.0011537600000000, -0.0058314500000000 ] - [ -0.0019268200000000, 0.0002109000000000, -0.0042246000000000 ] - [ -0.0011728100000000, -0.0012276300000000, 0.0056549900000000 ] - [ 0.0032949600000000, 0.0000657600000000, 0.0056084600000000 ] - [ 0.0017618400000000, 0.0006933400000000, 0.0043719100000000 ] - [ 0.0023766400000000, 0.0011340900000000, 0.0044075200000000 ] - [ 0.0023567000000000, 0.0006937900000000, 0.0038736900000000 ] - [ 0.0017472300000000, 0.0011360200000000, 0.0038386500000000 ] - [ 0.0052712400000000, -0.0012168000000000, 0.0025955500000000 ] - [ 0.0008183700000000, 0.0000906600000000, 0.0026252400000000 ] - [ -0.0033184200000000, -0.0404163800000000, -0.0007033300000000 ] - [ -0.0033481100000000, -0.0007644400000000, -0.0007694100000000 ] - [ -0.0033181800000000, 0.0051328400000000, -0.0007400400000000 ] - [ -0.0033750700000000, 0.0000149800000000, -0.0008576700000000 ] - [ -0.0033489000000000, 0.0015198900000000, -0.0007698200000000 ] - [ -0.0033479800000000, 0.0007281600000000, -0.0007689500000000 ] - [ -0.0033817300000000, 0.0050871600000000, -0.0008002800000000 ] - [ -0.0033219300000000, 0.0000194200000000, -0.0006811200000000 ] - [ 0.0034177200000000, -0.0006236500000000, -0.0013215200000000 ] - [ 0.0034777300000000, -0.0004678600000000, -0.0008963800000000 ] - [ 0.0031773600000000, 0.0006029900000000, -0.0007218500000000 ] - [ 0.0035727800000000, 0.0005195700000000, -0.0009162800000000 ] - [ 0.0035191900000000, 0.0006045000000000, -0.0008154100000000 ] - [ 0.0031252500000000, 0.0005210300000000, -0.0006246400000000 ] - [ 0.0032800700000000, -0.0006193500000000, -0.0002172800000000 ] - [ 0.0032190800000000, -0.0004664200000000, -0.0006430400000000 ] - [ -0.0033163200000000, -0.0050429000000000, 0.0007503600000000 ] - [ -0.0033778300000000, -0.0050427600000000, 0.0007903000000000 ] - [ -0.0051566200000000, 0.0015423500000000, -0.0004334800000000 ] - [ -0.0015101700000000, 0.0015425100000000, 0.0018517800000000 ] - [ -0.0033500000000000, 0.0010691700000000, 0.0007689600000000 ] - [ -0.0033464800000000, 0.0010690600000000, 0.0007692100000000 ] - [ -0.0015476700000000, 0.0015419000000000, 0.0019662400000000 ] - [ -0.0051792600000000, 0.0015417100000000, -0.0003081100000000 ] - [ 0.0033806700000000, -0.0003963500000000, 0.0010915300000000 ] - [ 0.0034984900000000, -0.0006741400000000, 0.0010173600000000 ] - [ 0.0032785400000000, 0.0004148400000000, 0.0008325000000000 ] - [ 0.0033588400000000, 0.0007456900000000, 0.0006366900000000 ] - [ 0.0034179600000000, 0.0004157900000000, 0.0007061400000000 ] - [ 0.0033378900000000, 0.0007476800000000, 0.0009013400000000 ] - [ 0.0033188200000000, -0.0003937500000000, 0.0004492700000000 ] - [ 0.0031954000000000, -0.0006712700000000, 0.0005154000000000 ] - [ 0.0005117200000000, 0.0009457800000000, 0.0002583600000000 ] - [ 0.0008744500000000, 0.0003597200000000, 0.0005664800000000 ] - [ 0.0003975300000000, -0.0009373700000000, 0.0007014300000000 ] - [ 0.0004358100000000, -0.0003712500000000, 0.0008897800000000 ] - [ 0.0003545600000000, -0.0009386700000000, 0.0011307100000000 ] - [ 0.0003162400000000, -0.0003722500000000, 0.0009432900000000 ] - [ 0.0002387700000000, 0.0009325600000000, 0.0015785800000000 ] - [ -0.0001210900000000, 0.0003587100000000, 0.0012658600000000 ] - [ 0.0012682600000000, 0.0005238000000000, -0.0003891600000000 ] - [ 0.0000081000000000, 0.0009360600000000, -0.0004081600000000 ] - [ 0.0005796600000000, -0.0004861200000000, -0.0008084100000000 ] - [ 0.0001218400000000, -0.0010565900000000, -0.0006784100000000 ] - [ 0.0001745300000000, -0.0004888300000000, -0.0010244700000000 ] - [ 0.0006283700000000, -0.0010558600000000, -0.0011525500000000 ] - [ -0.0005200200000000, 0.0005201100000000, -0.0014491800000000 ] - [ 0.0007416500000000, 0.0009335500000000, -0.0014185100000000 ] - [ -0.0003787800000000, 0.0015776000000000, -0.0009076500000000 ] - [ -0.0004180000000000, 0.0044540300000000, -0.0009637200000000 ] - [ 0.0003930300000000, -0.0005342900000000, -0.0012535900000000 ] - [ -0.0015553600000000, -0.0011323600000000, -0.0024580600000000 ] - [ -0.0003755000000000, -0.0006625800000000, -0.0009170100000000 ] - [ -0.0003776500000000, -0.0009916900000000, -0.0009176300000000 ] - [ -0.0011402700000000, -0.0005340100000000, -0.0005809500000000 ] - [ 0.0007913200000000, -0.0011338600000000, 0.0006091400000000 ] - [ -0.0003664700000000, 0.0048826200000000, 0.0009232700000000 ] - [ -0.0003745000000000, 0.0007274900000000, 0.0009082800000000 ] - [ 0.0009142600000000, -0.0013973800000000, 0.0022531300000000 ] - [ -0.0014729900000000, -0.0001188700000000, 0.0012737900000000 ] - [ -0.0003747900000000, -0.0009823500000000, 0.0009178700000000 ] - [ -0.0003766100000000, -0.0006880000000000, 0.0009161400000000 ] - [ -0.0016583500000000, -0.0014018500000000, -0.0004041100000000 ] - [ 0.0007149600000000, -0.0001197100000000, 0.0005594800000000 ] - [ -0.0021925900000000, 0.0013939800000000, -0.0049807700000000 ] - [ -0.0021886500000000, 0.0012336300000000, -0.0049748600000000 ] - [ -0.0018079300000000, -0.0003467200000000, -0.0057147300000000 ] - [ -0.0025348200000000, -0.0001576900000000, -0.0052307300000000 ] - [ -0.0021914400000000, -0.0007908500000000, -0.0049800200000000 ] - [ -0.0021906800000000, -0.0008937200000000, -0.0049803400000000 ] - [ -0.0025729100000000, -0.0003485200000000, -0.0042505400000000 ] - [ -0.0018453500000000, -0.0001614100000000, -0.0047274000000000 ] - [ 0.0015759800000000, 0.0089041200000000, 0.0075305500000000 ] - [ 0.0014106700000000, 0.0009126400000000, 0.0048867400000000 ] - [ 0.0026118700000000, -0.0023203300000000, 0.0046589000000000 ] - [ 0.0018570200000000, -0.0008672900000000, 0.0048300300000000 ] - [ 0.0017723100000000, -0.0023131700000000, 0.0052977200000000 ] - [ 0.0025217300000000, -0.0008703200000000, 0.0051266900000000 ] - [ 0.0025845800000000, 0.0086292600000000, 0.0026288900000000 ] - [ 0.0029751100000000, 0.0008990400000000, 0.0050740900000000 ] - [ -0.0021870700000000, 0.0019417300000000, 0.0049776800000000 ] - [ -0.0021915300000000, 0.0006932400000000, 0.0049790400000000 ] - [ -0.0021194600000000, -0.0004693500000000, 0.0057880100000000 ] - [ -0.0022178600000000, -0.0000007700000000, 0.0051122200000000 ] - [ -0.0021903500000000, -0.0010300400000000, 0.0049801700000000 ] - [ -0.0021906200000000, -0.0006807600000000, 0.0049795400000000 ] - [ -0.0022584900000000, -0.0004728000000000, 0.0041733100000000 ] - [ -0.0021640100000000, -0.0000037000000000, 0.0048469500000000 ] - [ 0.0027267000000000, 0.0008813600000000, -0.0046702100000000 ] - [ 0.0034267800000000, 0.0068050300000000, -0.0071419900000000 ] - [ 0.0024596500000000, -0.0008473400000000, -0.0048429700000000 ] - [ 0.0018174400000000, -0.0023227300000000, -0.0046758800000000 ] - [ 0.0019233300000000, -0.0008499500000000, -0.0051141400000000 ] - [ 0.0025631500000000, -0.0023157300000000, -0.0052792500000000 ] - [ 0.0016524500000000, 0.0008700100000000, -0.0052908100000000 ] - [ 0.0011887900000000, 0.0065575200000000, -0.0030199100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008399100000000, 0.0000000000000000, 0.0047263800000000 ] - [ -0.0040366800000000, 0.0000000000000000, 0.0052872500000000 ] - [ -0.0012592500000000, -0.0007225000000000, 0.0042074900000000 ] - [ -0.0030944800000000, -0.0012495900000000, 0.0057183800000000 ] - [ -0.0019023600000000, 0.0000000000000000, 0.0041062600000000 ] - [ -0.0021214500000000, 0.0000000000000000, 0.0041617900000000 ] - [ -0.0012592500000000, 0.0007225000000000, 0.0042074900000000 ] - [ -0.0030944800000000, 0.0012495900000000, 0.0057183800000000 ] - [ 0.0040626500000000, -0.0069813200000000, 0.0021974000000000 ] - [ 0.0020015500000000, 0.0000575700000000, -0.0042553300000000 ] - [ 0.0021291900000000, -0.0005930000000000, -0.0041692700000000 ] - [ 0.0018282400000000, -0.0001420500000000, -0.0041508200000000 ] - [ 0.0021291900000000, 0.0005930000000000, -0.0041692700000000 ] - [ 0.0018282400000000, 0.0001420500000000, -0.0041508200000000 ] - [ 0.0040626500000000, 0.0069813200000000, 0.0021974000000000 ] - [ 0.0020015500000000, -0.0000575700000000, -0.0042553300000000 ] - [ -0.0062959000000000, 0.0000000000000000, 0.0086957700000000 ] - [ -0.0019648500000000, 0.0000000000000000, -0.0041014000000000 ] - [ -0.0017715300000000, 0.0015890100000000, -0.0034426100000000 ] - [ -0.0019814100000000, 0.0003320500000000, -0.0041230800000000 ] - [ -0.0020807100000000, 0.0000000000000000, -0.0040669400000000 ] - [ -0.0021552500000000, 0.0000000000000000, -0.0041870000000000 ] - [ -0.0017715300000000, -0.0015890100000000, -0.0034426100000000 ] - [ -0.0019814100000000, -0.0003320500000000, -0.0041230800000000 ] - [ 0.0003567800000000, -0.0004105600000000, 0.0044132400000000 ] - [ 0.0049320000000000, 0.0029078000000000, 0.0060380800000000 ] - [ 0.0019728600000000, 0.0001808600000000, 0.0041447400000000 ] - [ 0.0022636100000000, 0.0004575700000000, 0.0039728400000000 ] - [ 0.0019728600000000, -0.0001808600000000, 0.0041447400000000 ] - [ 0.0022636100000000, -0.0004575700000000, 0.0039728400000000 ] - [ 0.0003567800000000, 0.0004105600000000, 0.0044132400000000 ] - [ 0.0049320000000000, -0.0029078000000000, 0.0060380800000000 ] - [ -0.0193166100000000, 0.0000000000000000, -0.0658651100000000 ] - [ -0.0014370200000000, 0.0000000000000000, -0.0001910200000000 ] - [ -0.0022641000000000, -0.0000371100000000, -0.0035057900000000 ] - [ -0.0034876700000000, 0.0000871700000000, -0.0012104600000000 ] - [ -0.0031731100000000, 0.0000000000000000, -0.0011931700000000 ] - [ -0.0034431700000000, 0.0000000000000000, -0.0008002700000000 ] - [ -0.0022641000000000, 0.0000371100000000, -0.0035057900000000 ] - [ -0.0034876700000000, -0.0000871700000000, -0.0012104600000000 ] - [ 0.0027942700000000, 0.0005535400000000, 0.0019551300000000 ] - [ 0.0035316500000000, 0.0001265700000000, -0.0001502200000000 ] - [ 0.0034277700000000, -0.0000461100000000, -0.0002598900000000 ] - [ 0.0034155200000000, 0.0001461100000000, -0.0004286700000000 ] - [ 0.0034277700000000, 0.0000461100000000, -0.0002598900000000 ] - [ 0.0034155200000000, -0.0001461100000000, -0.0004286700000000 ] - [ 0.0027942700000000, -0.0005535400000000, 0.0019551300000000 ] - [ 0.0035316500000000, -0.0001265700000000, -0.0001502200000000 ] - [ 0.0012355800000000, 0.0000000000000000, -0.0068622400000000 ] - [ -0.0001143600000000, 0.0000000000000000, -0.0068884700000000 ] - [ -0.0043679100000000, 0.0010800600000000, -0.0014227300000000 ] - [ -0.0044986700000000, -0.0011980000000000, -0.0014173600000000 ] - [ -0.0034208100000000, 0.0000000000000000, 0.0005300000000000 ] - [ -0.0033788800000000, 0.0000000000000000, 0.0005276300000000 ] - [ -0.0043679100000000, -0.0010800600000000, -0.0014227300000000 ] - [ -0.0044986700000000, 0.0011980000000000, -0.0014173600000000 ] - [ 0.0032495600000000, 0.0003222800000000, 0.0015058200000000 ] - [ 0.0034422900000000, 0.0002514800000000, 0.0025882700000000 ] - [ 0.0033498300000000, 0.0000632500000000, 0.0010189200000000 ] - [ 0.0031639200000000, -0.0001312300000000, 0.0014440800000000 ] - [ 0.0033498300000000, -0.0000632500000000, 0.0010189200000000 ] - [ 0.0031639200000000, 0.0001312300000000, 0.0014440800000000 ] - [ 0.0032495600000000, -0.0003222800000000, 0.0015058200000000 ] - [ 0.0034422900000000, -0.0002514800000000, 0.0025882700000000 ] - [ 0.0000070900000000, -0.0027101900000000, -0.0017861700000000 ] - [ 0.0005089400000000, -0.0001835100000000, 0.0005825400000000 ] - [ 0.0002029900000000, -0.0005035500000000, 0.0003756800000000 ] - [ 0.0003754600000000, -0.0001530700000000, 0.0007766500000000 ] - [ 0.0002029900000000, 0.0005035500000000, 0.0003756800000000 ] - [ 0.0003754600000000, 0.0001530700000000, 0.0007766500000000 ] - [ 0.0000070900000000, 0.0027101900000000, -0.0017861700000000 ] - [ 0.0005089400000000, 0.0001835100000000, 0.0005825400000000 ] - [ -0.0010205000000000, 0.0003065600000000, -0.0029989000000000 ] - [ 0.0006384500000000, 0.0000730300000000, -0.0019110200000000 ] - [ 0.0003410100000000, 0.0002671900000000, -0.0012730400000000 ] - [ 0.0005821300000000, 0.0003892200000000, -0.0012601500000000 ] - [ 0.0003410100000000, -0.0002671900000000, -0.0012730400000000 ] - [ 0.0005821300000000, -0.0003892200000000, -0.0012601500000000 ] - [ -0.0010205000000000, -0.0003065600000000, -0.0029989000000000 ] - [ 0.0006384500000000, -0.0000730300000000, -0.0019110200000000 ] - [ -0.0011093000000000, 0.0000000000000000, 0.0005827000000000 ] - [ 0.0135088100000000, 0.0000000000000000, 0.0212200600000000 ] - [ 0.0000380100000000, -0.0003510200000000, -0.0007651500000000 ] - [ -0.0005690000000000, -0.0015926900000000, 0.0005617000000000 ] - [ -0.0002723100000000, 0.0000000000000000, -0.0008087700000000 ] - [ -0.0003891000000000, 0.0000000000000000, -0.0006018100000000 ] - [ 0.0000380100000000, 0.0003510200000000, -0.0007651500000000 ] - [ -0.0005690000000000, 0.0015926900000000, 0.0005617000000000 ] - [ 0.0016633100000000, 0.0000000000000000, 0.0090570100000000 ] - [ -0.0006342800000000, 0.0000000000000000, 0.0021877800000000 ] - [ -0.0015182600000000, 0.0022140900000000, 0.0027055100000000 ] - [ 0.0002947800000000, 0.0001271200000000, 0.0010396900000000 ] - [ -0.0005415500000000, 0.0000000000000000, 0.0012552200000000 ] - [ -0.0003163400000000, 0.0000000000000000, 0.0010321100000000 ] - [ -0.0015182600000000, -0.0022140900000000, 0.0027055100000000 ] - [ 0.0002947800000000, -0.0001271200000000, 0.0010396900000000 ] - [ -0.0005724900000000, 0.0000000000000000, -0.0067900800000000 ] - [ -0.0033930800000000, 0.0000000000000000, -0.0069369700000000 ] - [ -0.0018839100000000, -0.0004407800000000, -0.0057083500000000 ] - [ -0.0025873400000000, -0.0007839900000000, -0.0057428200000000 ] - [ -0.0021493000000000, 0.0000000000000000, -0.0051650400000000 ] - [ -0.0022126900000000, 0.0000000000000000, -0.0051478100000000 ] - [ -0.0018839100000000, 0.0004407800000000, -0.0057083500000000 ] - [ -0.0025873400000000, 0.0007839900000000, -0.0057428200000000 ] - [ 0.0019870700000000, 0.0015814000000000, 0.0126369900000000 ] - [ 0.0012438000000000, -0.0007643800000000, 0.0058973100000000 ] - [ 0.0020991900000000, -0.0008431900000000, 0.0053567500000000 ] - [ 0.0022673300000000, -0.0000351800000000, 0.0052667500000000 ] - [ 0.0020991900000000, 0.0008431900000000, 0.0053567500000000 ] - [ 0.0022673300000000, 0.0000351800000000, 0.0052667500000000 ] - [ 0.0019870700000000, -0.0015814000000000, 0.0126369900000000 ] - [ 0.0012438000000000, 0.0007643800000000, 0.0058973100000000 ] - [ -0.0014607500000000, 0.0000000000000000, 0.0010994700000000 ] - [ -0.0023488500000000, 0.0000000000000000, 0.0044200600000000 ] - [ -0.0018363800000000, 0.0007271200000000, 0.0035022400000000 ] - [ -0.0022573900000000, -0.0000463100000000, 0.0046361100000000 ] - [ -0.0022184100000000, 0.0000000000000000, 0.0047352000000000 ] - [ -0.0021852700000000, 0.0000000000000000, 0.0048553500000000 ] - [ -0.0018363800000000, -0.0007271200000000, 0.0035022400000000 ] - [ -0.0022573900000000, 0.0000463100000000, 0.0046361100000000 ] - [ 0.0014493400000000, 0.0007514700000000, -0.0044927000000000 ] - [ 0.0016266100000000, -0.0020584700000000, 0.0018555500000000 ] - [ 0.0022612000000000, 0.0000365400000000, -0.0046954300000000 ] - [ 0.0020912500000000, 0.0008136600000000, -0.0046649000000000 ] - [ 0.0022612000000000, -0.0000365400000000, -0.0046954300000000 ] - [ 0.0020912500000000, -0.0008136600000000, -0.0046649000000000 ] - [ 0.0014493400000000, -0.0007514700000000, -0.0044927000000000 ] - [ 0.0016266100000000, 0.0020584700000000, 0.0018555500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0032409300000000, 0.0000000000000000, 0.0035297400000000 ] - [ -0.0000502300000000, 0.0000000000000000, 0.0029532300000000 ] - [ -0.0028446400000000, 0.0007248400000000, 0.0040268400000000 ] - [ -0.0010042800000000, 0.0012405900000000, 0.0025212400000000 ] - [ -0.0021929000000000, 0.0000000000000000, 0.0041255400000000 ] - [ -0.0019735000000000, 0.0000000000000000, 0.0040713900000000 ] - [ -0.0028446400000000, -0.0007248400000000, 0.0040268400000000 ] - [ -0.0010042800000000, -0.0012405900000000, 0.0025212400000000 ] - [ 0.0000245300000000, 0.0070589800000000, -0.0104815800000000 ] - [ 0.0020940000000000, -0.0000598500000000, -0.0039726700000000 ] - [ 0.0019667000000000, 0.0005956200000000, -0.0040603400000000 ] - [ 0.0022650500000000, 0.0001417700000000, -0.0040798600000000 ] - [ 0.0019667000000000, -0.0005956200000000, -0.0040603400000000 ] - [ 0.0022650500000000, -0.0001417700000000, -0.0040798600000000 ] - [ 0.0000245300000000, -0.0070589800000000, -0.0104815800000000 ] - [ 0.0020940000000000, 0.0000598500000000, -0.0039726700000000 ] - [ 0.0021516800000000, 0.0000000000000000, -0.0168076400000000 ] - [ -0.0021275000000000, 0.0000000000000000, -0.0041342800000000 ] - [ -0.0023283800000000, -0.0015921000000000, -0.0047955900000000 ] - [ -0.0021134600000000, -0.0003340400000000, -0.0041104400000000 ] - [ -0.0020132800000000, 0.0000000000000000, -0.0041647500000000 ] - [ -0.0019398400000000, 0.0000000000000000, -0.0040446800000000 ] - [ -0.0023283800000000, 0.0015921000000000, -0.0047955900000000 ] - [ -0.0021134600000000, 0.0003340400000000, -0.0041104400000000 ] - [ 0.0037487400000000, 0.0004134400000000, 0.0038134300000000 ] - [ -0.0008070600000000, -0.0028953300000000, 0.0022103900000000 ] - [ 0.0021228200000000, -0.0001809600000000, 0.0040861900000000 ] - [ 0.0018312400000000, -0.0004579800000000, 0.0042571800000000 ] - [ 0.0021228200000000, 0.0001809600000000, 0.0040861900000000 ] - [ 0.0018312400000000, 0.0004579800000000, 0.0042571800000000 ] - [ 0.0037487400000000, -0.0004134400000000, 0.0038134300000000 ] - [ -0.0008070600000000, 0.0028953300000000, 0.0022103900000000 ] - [ 0.0120893300000000, 0.0000000000000000, 0.0637152800000000 ] - [ -0.0052647600000000, 0.0000000000000000, -0.0013511300000000 ] - [ -0.0044309100000000, 0.0000234200000000, 0.0019736500000000 ] - [ -0.0032073200000000, -0.0000898100000000, -0.0003264100000000 ] - [ -0.0035211600000000, 0.0000000000000000, -0.0003424300000000 ] - [ -0.0032521200000000, 0.0000000000000000, -0.0007372600000000 ] - [ -0.0044309100000000, -0.0000234200000000, 0.0019736500000000 ] - [ -0.0032073200000000, 0.0000898100000000, -0.0003264100000000 ] - [ 0.0038982400000000, -0.0005508700000000, -0.0034946300000000 ] - [ 0.0031648700000000, -0.0001269400000000, -0.0013860100000000 ] - [ 0.0032663900000000, 0.0000469800000000, -0.0012783900000000 ] - [ 0.0032806800000000, -0.0001456500000000, -0.0011085000000000 ] - [ 0.0032663900000000, -0.0000469800000000, -0.0012783900000000 ] - [ 0.0032806800000000, 0.0001456500000000, -0.0011085000000000 ] - [ 0.0038982400000000, 0.0005508700000000, -0.0034946300000000 ] - [ 0.0031648700000000, 0.0001269400000000, -0.0013860100000000 ] - [ -0.0078895700000000, 0.0000000000000000, 0.0084522300000000 ] - [ -0.0066488200000000, 0.0000000000000000, 0.0084243500000000 ] - [ -0.0023304400000000, -0.0010805100000000, 0.0029579800000000 ] - [ -0.0021895800000000, 0.0012012800000000, 0.0029645000000000 ] - [ -0.0032746700000000, 0.0000000000000000, 0.0010099200000000 ] - [ -0.0033145200000000, 0.0000000000000000, 0.0010083900000000 ] - [ -0.0023304400000000, 0.0010805100000000, 0.0029579800000000 ] - [ -0.0021895800000000, -0.0012012800000000, 0.0029645000000000 ] - [ 0.0034434900000000, -0.0003213300000000, 0.0000314300000000 ] - [ 0.0032581700000000, -0.0002495200000000, -0.0010485500000000 ] - [ 0.0033442200000000, -0.0000630400000000, 0.0005176000000000 ] - [ 0.0035345800000000, 0.0001333700000000, 0.0000939900000000 ] - [ 0.0033442200000000, 0.0000630400000000, 0.0005176000000000 ] - [ 0.0035345800000000, -0.0001333700000000, 0.0000939900000000 ] - [ 0.0034434900000000, 0.0003213300000000, 0.0000314300000000 ] - [ 0.0032581700000000, 0.0002495200000000, -0.0010485500000000 ] - [ 0.0007405800000000, 0.0026988500000000, 0.0036187600000000 ] - [ 0.0002419100000000, 0.0001840900000000, 0.0012548700000000 ] - [ 0.0005481400000000, 0.0005049300000000, 0.0014590000000000 ] - [ 0.0003761700000000, 0.0001534900000000, 0.0010570900000000 ] - [ 0.0005481400000000, -0.0005049300000000, 0.0014590000000000 ] - [ 0.0003761700000000, -0.0001534900000000, 0.0010570900000000 ] - [ 0.0007405800000000, -0.0026988500000000, 0.0036187600000000 ] - [ 0.0002419100000000, -0.0001840900000000, 0.0012548700000000 ] - [ 0.0017839900000000, -0.0003010300000000, 0.0011678000000000 ] - [ 0.0001117400000000, -0.0000731300000000, 0.0000737400000000 ] - [ 0.0004116500000000, -0.0002684100000000, -0.0005581000000000 ] - [ 0.0001703400000000, -0.0003877800000000, -0.0005751300000000 ] - [ 0.0004116500000000, 0.0002684100000000, -0.0005581000000000 ] - [ 0.0001703400000000, 0.0003877800000000, -0.0005751300000000 ] - [ 0.0017839900000000, 0.0003010300000000, 0.0011678000000000 ] - [ 0.0001117400000000, 0.0000731300000000, 0.0000737400000000 ] - [ 0.0003577700000000, 0.0000000000000000, -0.0024064700000000 ] - [ -0.0131652300000000, 0.0000000000000000, -0.0220144200000000 ] - [ -0.0007889600000000, 0.0003525900000000, -0.0010676300000000 ] - [ -0.0001786300000000, 0.0015912100000000, -0.0023896000000000 ] - [ -0.0004795600000000, 0.0000000000000000, -0.0010233100000000 ] - [ -0.0003639200000000, 0.0000000000000000, -0.0012300200000000 ] - [ -0.0007889600000000, -0.0003525900000000, -0.0010676300000000 ] - [ -0.0001786300000000, -0.0015912100000000, -0.0023896000000000 ] - [ -0.0030099400000000, 0.0000000000000000, -0.0077871300000000 ] - [ -0.0001105800000000, 0.0000000000000000, -0.0003718700000000 ] - [ 0.0007687800000000, -0.0022229400000000, -0.0008856000000000 ] - [ -0.0010472200000000, -0.0001260000000000, 0.0007941300000000 ] - [ -0.0002090000000000, 0.0000000000000000, 0.0005749400000000 ] - [ -0.0004333100000000, 0.0000000000000000, 0.0008009200000000 ] - [ 0.0007687800000000, 0.0022229400000000, -0.0008856000000000 ] - [ -0.0010472200000000, 0.0001260000000000, 0.0007941300000000 ] - [ -0.0037987100000000, 0.0000000000000000, -0.0031591100000000 ] - [ -0.0009920800000000, 0.0000000000000000, -0.0030127800000000 ] - [ -0.0024944200000000, 0.0004411500000000, -0.0042373900000000 ] - [ -0.0017944500000000, 0.0007812000000000, -0.0042067200000000 ] - [ -0.0022311800000000, 0.0000000000000000, -0.0047820300000000 ] - [ -0.0021673100000000, 0.0000000000000000, -0.0048016500000000 ] - [ -0.0024944200000000, -0.0004411500000000, -0.0042373900000000 ] - [ -0.0017944500000000, -0.0007812000000000, -0.0042067200000000 ] - [ 0.0022839800000000, -0.0014447200000000, -0.0026172600000000 ] - [ 0.0031357100000000, 0.0007766600000000, 0.0040620400000000 ] - [ 0.0022783500000000, 0.0008426700000000, 0.0045929100000000 ] - [ 0.0021111900000000, 0.0000378600000000, 0.0046820400000000 ] - [ 0.0022783500000000, -0.0008426700000000, 0.0045929100000000 ] - [ 0.0021111900000000, -0.0000378600000000, 0.0046820400000000 ] - [ 0.0022839800000000, 0.0014447200000000, -0.0026172600000000 ] - [ 0.0031357100000000, -0.0007766600000000, 0.0040620400000000 ] - [ -0.0029212800000000, 0.0000000000000000, 0.0088619100000000 ] - [ -0.0020282600000000, 0.0000000000000000, 0.0055278100000000 ] - [ -0.0025465200000000, -0.0007328500000000, 0.0064475900000000 ] - [ -0.0021197800000000, 0.0000473600000000, 0.0053127300000000 ] - [ -0.0021615300000000, 0.0000000000000000, 0.0052135000000000 ] - [ -0.0021923800000000, 0.0000000000000000, 0.0050928800000000 ] - [ -0.0025465200000000, 0.0007328500000000, 0.0064475900000000 ] - [ -0.0021197800000000, -0.0000473600000000, 0.0053127300000000 ] - [ 0.0029322200000000, -0.0007434300000000, -0.0054634400000000 ] - [ 0.0028618000000000, 0.0022129600000000, -0.0118909800000000 ] - [ 0.0021203000000000, -0.0000353300000000, -0.0052538400000000 ] - [ 0.0022901600000000, -0.0008141100000000, -0.0052840100000000 ] - [ 0.0021203000000000, 0.0000353300000000, -0.0052538400000000 ] - [ 0.0022901600000000, 0.0008141100000000, -0.0052840100000000 ] - [ 0.0029322200000000, 0.0007434300000000, -0.0054634400000000 ] - [ 0.0028618000000000, -0.0022129600000000, -0.0118909800000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0028979100000000, -0.0006968800000000, 0.0048436300000000 ] - [ -0.0016983300000000, 0.0016195800000000, 0.0030450300000000 ] - [ -0.0028979100000000, 0.0006968800000000, 0.0048436300000000 ] - [ -0.0016983300000000, -0.0016195800000000, 0.0030450300000000 ] - [ -0.0022186400000000, 0.0001855200000000, 0.0042282400000000 ] - [ -0.0019078700000000, -0.0002839000000000, 0.0041019000000000 ] - [ -0.0022186400000000, -0.0001855200000000, 0.0042282400000000 ] - [ -0.0019078700000000, 0.0002839000000000, 0.0041019000000000 ] - [ 0.0036791400000000, 0.0000000000000000, -0.0020220500000000 ] - [ 0.0013928100000000, 0.0000000000000000, -0.0042013900000000 ] - [ 0.0025124300000000, 0.0000276800000000, -0.0040607500000000 ] - [ 0.0015721000000000, -0.0002902300000000, -0.0041093700000000 ] - [ 0.0022107800000000, 0.0000000000000000, -0.0041035200000000 ] - [ 0.0018928900000000, 0.0000000000000000, -0.0041190500000000 ] - [ 0.0025124300000000, -0.0000276800000000, -0.0040607500000000 ] - [ 0.0015721000000000, 0.0002902300000000, -0.0041093700000000 ] - [ 0.0076035000000000, 0.0085393500000000, 0.0004135400000000 ] - [ -0.0039448000000000, 0.0002957000000000, -0.0038244300000000 ] - [ 0.0076035000000000, -0.0085393500000000, 0.0004135400000000 ] - [ -0.0039448000000000, -0.0002957000000000, -0.0038244300000000 ] - [ -0.0016962200000000, 0.0006378500000000, -0.0042161100000000 ] - [ -0.0023844900000000, -0.0001142600000000, -0.0040865000000000 ] - [ -0.0016962200000000, -0.0006378500000000, -0.0042161100000000 ] - [ -0.0023844900000000, 0.0001142600000000, -0.0040865000000000 ] - [ 0.0000530700000000, 0.0000000000000000, 0.0030407300000000 ] - [ 0.0104874100000000, 0.0000000000000000, 0.0034312300000000 ] - [ 0.0012761700000000, 0.0004589200000000, 0.0036085700000000 ] - [ 0.0036505100000000, -0.0010959500000000, 0.0042885600000000 ] - [ 0.0018586400000000, 0.0000000000000000, 0.0040575800000000 ] - [ 0.0023018200000000, 0.0000000000000000, 0.0041136000000000 ] - [ 0.0012761700000000, -0.0004589200000000, 0.0036085700000000 ] - [ 0.0036505100000000, 0.0010959500000000, 0.0042885600000000 ] - [ -0.0020908900000000, 0.0001375400000000, -0.0011387500000000 ] - [ -0.0043026400000000, 0.0004977900000000, -0.0006357800000000 ] - [ -0.0020908900000000, -0.0001375400000000, -0.0011387500000000 ] - [ -0.0043026400000000, -0.0004977900000000, -0.0006357800000000 ] - [ -0.0029548100000000, -0.0000211100000000, -0.0009428900000000 ] - [ -0.0036828800000000, -0.0000600400000000, -0.0007702800000000 ] - [ -0.0029548100000000, 0.0000211100000000, -0.0009428900000000 ] - [ -0.0036828800000000, 0.0000600400000000, -0.0007702800000000 ] - [ 0.0103250900000000, 0.0000000000000000, -0.0028419200000000 ] - [ -0.0001376100000000, 0.0000000000000000, -0.0005195200000000 ] - [ 0.0037244400000000, 0.0012833700000000, 0.0003734700000000 ] - [ 0.0023019900000000, -0.0010987200000000, -0.0014450100000000 ] - [ 0.0034532700000000, 0.0000000000000000, -0.0006028400000000 ] - [ 0.0032061900000000, 0.0000000000000000, -0.0008295200000000 ] - [ 0.0037244400000000, -0.0012833700000000, 0.0003734700000000 ] - [ 0.0023019900000000, 0.0010987200000000, -0.0014450100000000 ] - [ -0.0037966500000000, -0.0003664200000000, 0.0005072200000000 ] - [ -0.0038979300000000, 0.0008948300000000, 0.0021750700000000 ] - [ -0.0037966500000000, 0.0003664200000000, 0.0005072200000000 ] - [ -0.0038979300000000, -0.0008948300000000, 0.0021750700000000 ] - [ -0.0034831600000000, 0.0002545700000000, 0.0005630000000000 ] - [ -0.0033635300000000, -0.0002025700000000, 0.0008061400000000 ] - [ -0.0034831600000000, -0.0002545700000000, 0.0005630000000000 ] - [ -0.0033635300000000, 0.0002025700000000, 0.0008061400000000 ] - [ -0.0002673800000000, 0.0000000000000000, 0.0000331900000000 ] - [ 0.0201268600000000, 0.0000000000000000, 0.0145696900000000 ] - [ 0.0022094100000000, 0.0007648200000000, 0.0011804900000000 ] - [ 0.0047021100000000, -0.0011742600000000, 0.0005738500000000 ] - [ 0.0030524100000000, 0.0000000000000000, 0.0008730300000000 ] - [ 0.0036519000000000, 0.0000000000000000, 0.0007571800000000 ] - [ 0.0022094100000000, -0.0007648200000000, 0.0011804900000000 ] - [ 0.0047021100000000, 0.0011742600000000, 0.0005738500000000 ] - [ -0.0708512100000000, 0.0000000000000000, -0.0189517600000000 ] - [ 0.0024840700000000, 0.0000000000000000, 0.0010190300000000 ] - [ -0.0017900500000000, -0.0018228800000000, -0.0000971900000000 ] - [ 0.0013183500000000, 0.0002772200000000, 0.0009728600000000 ] - [ 0.0000159100000000, 0.0000000000000000, 0.0007700700000000 ] - [ 0.0006178200000000, 0.0000000000000000, 0.0009081600000000 ] - [ -0.0017900500000000, 0.0018228800000000, -0.0000971900000000 ] - [ 0.0013183500000000, -0.0002772200000000, 0.0009728600000000 ] - [ 0.0039177000000000, 0.0000000000000000, -0.0048024700000000 ] - [ 0.0039096500000000, 0.0000000000000000, 0.0026011200000000 ] - [ 0.0004691600000000, -0.0004556400000000, -0.0013079900000000 ] - [ 0.0004668600000000, 0.0006613700000000, -0.0007940400000000 ] - [ 0.0003921400000000, 0.0000000000000000, -0.0009448000000000 ] - [ 0.0003914500000000, 0.0000000000000000, -0.0009764500000000 ] - [ 0.0004691600000000, 0.0004556400000000, -0.0013079900000000 ] - [ 0.0004668600000000, -0.0006613700000000, -0.0007940400000000 ] - [ 0.0006352500000000, 0.0002584400000000, -0.0006792600000000 ] - [ -0.0040210400000000, -0.0062752500000000, -0.0044541600000000 ] - [ 0.0006352500000000, -0.0002584400000000, -0.0006792600000000 ] - [ -0.0040210400000000, 0.0062752500000000, -0.0044541600000000 ] - [ -0.0000829000000000, -0.0001484500000000, -0.0008537900000000 ] - [ -0.0007877400000000, 0.0001909200000000, -0.0008791000000000 ] - [ -0.0000829000000000, 0.0001484500000000, -0.0008537900000000 ] - [ -0.0007877400000000, -0.0001909200000000, -0.0008791000000000 ] - [ -0.0006068200000000, 0.0004741800000000, 0.0006004100000000 ] - [ 0.0003035500000000, -0.0000986300000000, 0.0007940000000000 ] - [ -0.0006068200000000, -0.0004741800000000, 0.0006004100000000 ] - [ 0.0003035500000000, 0.0000986300000000, 0.0007940000000000 ] - [ -0.0005181400000000, -0.0000456700000000, 0.0009141700000000 ] - [ -0.0002722300000000, 0.0001671400000000, 0.0009946500000000 ] - [ -0.0005181400000000, 0.0000456700000000, 0.0009141700000000 ] - [ -0.0002722300000000, -0.0001671400000000, 0.0009946500000000 ] - [ 0.0059626600000000, 0.0063174200000000, -0.0053055800000000 ] - [ 0.0070414600000000, -0.0089650700000000, -0.0033539600000000 ] - [ 0.0059626600000000, -0.0063174200000000, -0.0053055800000000 ] - [ 0.0070414600000000, 0.0089650700000000, -0.0033539600000000 ] - [ -0.0019590300000000, -0.0005480000000000, -0.0049364800000000 ] - [ -0.0022787000000000, 0.0005740200000000, -0.0050776100000000 ] - [ -0.0019590300000000, 0.0005480000000000, -0.0049364800000000 ] - [ -0.0022787000000000, -0.0005740200000000, -0.0050776100000000 ] - [ 0.0038461800000000, 0.0000000000000000, 0.0117077600000000 ] - [ 0.0049076200000000, 0.0000000000000000, 0.0035079700000000 ] - [ 0.0022972200000000, -0.0008042300000000, 0.0058053400000000 ] - [ 0.0026819500000000, 0.0007561800000000, 0.0048907600000000 ] - [ 0.0020805600000000, 0.0000000000000000, 0.0050803800000000 ] - [ 0.0023225000000000, 0.0000000000000000, 0.0050074300000000 ] - [ 0.0022972200000000, 0.0008042300000000, 0.0058053400000000 ] - [ 0.0026819500000000, -0.0007561800000000, 0.0048907600000000 ] - [ -0.0082698200000000, -0.0001454900000000, 0.0046266100000000 ] - [ -0.0005604400000000, -0.0000465200000000, 0.0050161300000000 ] - [ -0.0082698200000000, 0.0001454900000000, 0.0046266100000000 ] - [ -0.0005604400000000, 0.0000465200000000, 0.0050161300000000 ] - [ -0.0027333400000000, -0.0000525700000000, 0.0048733700000000 ] - [ -0.0016973700000000, 0.0000541300000000, 0.0049558200000000 ] - [ -0.0027333400000000, 0.0000525700000000, 0.0048733700000000 ] - [ -0.0016973700000000, -0.0000541300000000, 0.0049558200000000 ] - [ 0.0031680400000000, 0.0000000000000000, -0.0052916500000000 ] - [ 0.0008623100000000, 0.0000000000000000, -0.0055527000000000 ] - [ 0.0027256800000000, -0.0000839500000000, -0.0050463000000000 ] - [ 0.0015656100000000, 0.0004359400000000, -0.0050257800000000 ] - [ 0.0024168400000000, 0.0000000000000000, -0.0049651500000000 ] - [ 0.0019869900000000, 0.0000000000000000, -0.0049768000000000 ] - [ 0.0027256800000000, 0.0000839500000000, -0.0050463000000000 ] - [ 0.0015656100000000, -0.0004359400000000, -0.0050257800000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012213400000000, 0.0006958500000000, 0.0033984700000000 ] - [ -0.0024167700000000, -0.0016309000000000, 0.0052038300000000 ] - [ -0.0012213400000000, -0.0006958500000000, 0.0033984700000000 ] - [ -0.0024167700000000, 0.0016309000000000, 0.0052038300000000 ] - [ -0.0018993000000000, -0.0001858000000000, 0.0040123600000000 ] - [ -0.0022079300000000, 0.0002843900000000, 0.0041390300000000 ] - [ -0.0018993000000000, 0.0001858000000000, 0.0040123600000000 ] - [ -0.0022079300000000, -0.0002843900000000, 0.0041390300000000 ] - [ 0.0004388800000000, 0.0000000000000000, -0.0062205500000000 ] - [ 0.0027243000000000, 0.0000000000000000, -0.0040413700000000 ] - [ 0.0016049200000000, -0.0000273900000000, -0.0041815900000000 ] - [ 0.0025452300000000, 0.0002908900000000, -0.0041333700000000 ] - [ 0.0019061500000000, 0.0000000000000000, -0.0041390200000000 ] - [ 0.0022242600000000, 0.0000000000000000, -0.0041235100000000 ] - [ 0.0016049200000000, 0.0000273900000000, -0.0041815900000000 ] - [ 0.0025452300000000, -0.0002908900000000, -0.0041333700000000 ] - [ -0.0116510500000000, -0.0086884100000000, -0.0087365800000000 ] - [ -0.0001780700000000, -0.0002957000000000, -0.0044143400000000 ] - [ -0.0116510500000000, 0.0086884100000000, -0.0087365800000000 ] - [ -0.0001780700000000, 0.0002957000000000, -0.0044143400000000 ] - [ -0.0024198400000000, -0.0006341200000000, -0.0040254100000000 ] - [ -0.0017326200000000, 0.0001131900000000, -0.0041542200000000 ] - [ -0.0024198400000000, 0.0006341200000000, -0.0040254100000000 ] - [ -0.0017326200000000, -0.0001131900000000, -0.0041542200000000 ] - [ 0.0040725000000000, 0.0000000000000000, 0.0052092300000000 ] - [ -0.0058443200000000, 0.0000000000000000, 0.0043504500000000 ] - [ 0.0028389000000000, -0.0004623800000000, 0.0046367800000000 ] - [ 0.0004745000000000, 0.0010900500000000, 0.0039554200000000 ] - [ 0.0022575400000000, 0.0000000000000000, 0.0041849100000000 ] - [ 0.0018164000000000, 0.0000000000000000, 0.0041284300000000 ] - [ 0.0028389000000000, 0.0004623800000000, 0.0046367800000000 ] - [ 0.0004745000000000, -0.0010900500000000, 0.0039554200000000 ] - [ -0.0046040600000000, -0.0001360600000000, -0.0004048300000000 ] - [ -0.0023949300000000, -0.0004979700000000, -0.0009012300000000 ] - [ -0.0046040600000000, 0.0001360600000000, -0.0004048300000000 ] - [ -0.0023949300000000, 0.0004979700000000, -0.0009012300000000 ] - [ -0.0037405300000000, 0.0000224700000000, -0.0005963200000000 ] - [ -0.0030144900000000, 0.0000598100000000, -0.0007677200000000 ] - [ -0.0037405300000000, -0.0000224700000000, -0.0005963200000000 ] - [ -0.0030144900000000, -0.0000598100000000, -0.0007677200000000 ] - [ -0.0040225800000000, 0.0000000000000000, 0.0018342400000000 ] - [ 0.0068403200000000, 0.0000000000000000, -0.0010396200000000 ] - [ 0.0029671600000000, -0.0012874300000000, -0.0019116900000000 ] - [ 0.0043890800000000, 0.0010905800000000, -0.0001016300000000 ] - [ 0.0032422200000000, 0.0000000000000000, -0.0009352400000000 ] - [ 0.0034908400000000, 0.0000000000000000, -0.0007091100000000 ] - [ 0.0029671600000000, 0.0012874300000000, -0.0019116900000000 ] - [ 0.0043890800000000, -0.0010905800000000, -0.0001016300000000 ] - [ -0.0029029300000000, 0.0003662400000000, 0.0010311400000000 ] - [ -0.0028000200000000, -0.0008924500000000, -0.0006298600000000 ] - [ -0.0029029300000000, -0.0003662400000000, 0.0010311400000000 ] - [ -0.0028000200000000, 0.0008924500000000, -0.0006298600000000 ] - [ -0.0032162700000000, -0.0002524200000000, 0.0009743400000000 ] - [ -0.0033326400000000, 0.0002026200000000, 0.0007327400000000 ] - [ -0.0032162700000000, 0.0002524200000000, 0.0009743400000000 ] - [ -0.0033326400000000, -0.0002026200000000, 0.0007327400000000 ] - [ 0.0069650700000000, 0.0000000000000000, 0.0014976300000000 ] - [ -0.0128823300000000, 0.0000000000000000, -0.0121011300000000 ] - [ 0.0044886900000000, -0.0007696100000000, 0.0003533700000000 ] - [ 0.0020013500000000, 0.0011705600000000, 0.0009629800000000 ] - [ 0.0036437200000000, 0.0000000000000000, 0.0006661000000000 ] - [ 0.0030459500000000, 0.0000000000000000, 0.0007811900000000 ] - [ 0.0044886900000000, 0.0007696100000000, 0.0003533700000000 ] - [ 0.0020013500000000, -0.0011705600000000, 0.0009629800000000 ] - [ 0.0707540300000000, 0.0000000000000000, 0.0200075800000000 ] - [ -0.0017313300000000, 0.0000000000000000, 0.0008164900000000 ] - [ 0.0025370600000000, 0.0018008700000000, 0.0019196400000000 ] - [ -0.0005630700000000, -0.0002755300000000, 0.0008567000000000 ] - [ 0.0007380500000000, 0.0000000000000000, 0.0010593100000000 ] - [ 0.0001380600000000, 0.0000000000000000, 0.0009236600000000 ] - [ 0.0025370600000000, -0.0018008700000000, 0.0019196400000000 ] - [ -0.0005630700000000, 0.0002755300000000, 0.0008567000000000 ] - [ -0.0031643400000000, 0.0000000000000000, 0.0029733700000000 ] - [ -0.0031725000000000, 0.0000000000000000, -0.0044399200000000 ] - [ 0.0002875200000000, 0.0004552200000000, -0.0005217600000000 ] - [ 0.0002851700000000, -0.0006635200000000, -0.0010329300000000 ] - [ 0.0003621300000000, 0.0000000000000000, -0.0008863600000000 ] - [ 0.0003616700000000, 0.0000000000000000, -0.0008543300000000 ] - [ 0.0002875200000000, -0.0004552200000000, -0.0005217600000000 ] - [ 0.0002851700000000, 0.0006635200000000, -0.0010329300000000 ] - [ -0.0013886700000000, -0.0002612100000000, -0.0011561400000000 ] - [ 0.0032315600000000, 0.0062542000000000, 0.0026168700000000 ] - [ -0.0013886700000000, 0.0002612100000000, -0.0011561400000000 ] - [ 0.0032315600000000, -0.0062542000000000, 0.0026168700000000 ] - [ -0.0006702100000000, 0.0001493200000000, -0.0009792000000000 ] - [ 0.0000307500000000, -0.0001897300000000, -0.0009521600000000 ] - [ -0.0006702100000000, -0.0001493200000000, -0.0009792000000000 ] - [ 0.0000307500000000, 0.0001897300000000, -0.0009521600000000 ] - [ -0.0001466200000000, -0.0004741900000000, 0.0012319600000000 ] - [ -0.0010587200000000, 0.0000988800000000, 0.0010349800000000 ] - [ -0.0001466200000000, 0.0004741900000000, 0.0012319600000000 ] - [ -0.0010587200000000, -0.0000988800000000, 0.0010349800000000 ] - [ -0.0002363900000000, 0.0000454700000000, 0.0009182000000000 ] - [ -0.0004826200000000, -0.0001672600000000, 0.0008362100000000 ] - [ -0.0002363900000000, -0.0000454700000000, 0.0009182000000000 ] - [ -0.0004826200000000, 0.0001672600000000, 0.0008362100000000 ] - [ -0.0104241600000000, -0.0063977200000000, -0.0046475900000000 ] - [ -0.0112974300000000, 0.0088557600000000, -0.0065801900000000 ] - [ -0.0104241600000000, 0.0063977200000000, -0.0046475900000000 ] - [ -0.0112974300000000, -0.0088557600000000, -0.0065801900000000 ] - [ -0.0024199300000000, 0.0005487000000000, -0.0050341600000000 ] - [ -0.0021042300000000, -0.0005713500000000, -0.0048917700000000 ] - [ -0.0024199300000000, -0.0005487000000000, -0.0050341600000000 ] - [ -0.0021042300000000, 0.0005713500000000, -0.0048917700000000 ] - [ 0.0005472200000000, 0.0000000000000000, -0.0017785200000000 ] - [ -0.0005201900000000, 0.0000000000000000, 0.0064522800000000 ] - [ 0.0020877800000000, 0.0008002100000000, 0.0041661400000000 ] - [ 0.0016993600000000, -0.0007541000000000, 0.0050761800000000 ] - [ 0.0023013800000000, 0.0000000000000000, 0.0048880900000000 ] - [ 0.0020586700000000, 0.0000000000000000, 0.0049602400000000 ] - [ 0.0020877800000000, -0.0008002100000000, 0.0041661400000000 ] - [ 0.0016993600000000, 0.0007541000000000, 0.0050761800000000 ] - [ 0.0038944000000000, 0.0001696000000000, 0.0053133600000000 ] - [ -0.0038203300000000, 0.0000485200000000, 0.0049554200000000 ] - [ 0.0038944000000000, -0.0001696000000000, 0.0053133600000000 ] - [ -0.0038203300000000, -0.0000485200000000, 0.0049554200000000 ] - [ -0.0016481500000000, 0.0000526300000000, 0.0050956900000000 ] - [ -0.0026838500000000, -0.0000532500000000, 0.0050146800000000 ] - [ -0.0016481500000000, -0.0000526300000000, 0.0050956900000000 ] - [ -0.0026838500000000, 0.0000532500000000, 0.0050146800000000 ] - [ 0.0012153500000000, 0.0000000000000000, -0.0046786600000000 ] - [ 0.0035177100000000, 0.0000000000000000, -0.0044209300000000 ] - [ 0.0016571200000000, 0.0000839500000000, -0.0049229600000000 ] - [ 0.0028147200000000, -0.0004368700000000, -0.0049439100000000 ] - [ 0.0019651900000000, 0.0000000000000000, -0.0050033600000000 ] - [ 0.0023937500000000, 0.0000000000000000, -0.0049914200000000 ] - [ 0.0016571200000000, -0.0000839500000000, -0.0049229600000000 ] - [ 0.0028147200000000, 0.0004368700000000, -0.0049439100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021388300000000, 0.0005456400000000, 0.0041424200000000 ] - [ -0.0018466100000000, 0.0007613800000000, 0.0039798100000000 ] - [ -0.0019777600000000, 0.0005531400000000, 0.0041014800000000 ] - [ -0.0022622100000000, 0.0007601900000000, 0.0042552400000000 ] - [ -0.0018643600000000, -0.0005177000000000, 0.0039790300000000 ] - [ -0.0022287800000000, -0.0005936400000000, 0.0038945600000000 ] - [ -0.0022467900000000, -0.0005190100000000, 0.0042585000000000 ] - [ -0.0018841200000000, -0.0005929700000000, 0.0043421800000000 ] - [ 0.0020599000000000, 0.0012160500000000, -0.0041092000000000 ] - [ 0.0020553500000000, 0.0004599900000000, -0.0041198600000000 ] - [ 0.0020971600000000, -0.0002310400000000, -0.0043798300000000 ] - [ 0.0020075400000000, 0.0000225800000000, -0.0041455900000000 ] - [ 0.0020563600000000, -0.0008099600000000, -0.0041197100000000 ] - [ 0.0020551600000000, -0.0004919600000000, -0.0041190800000000 ] - [ 0.0020125100000000, -0.0002361000000000, -0.0038590300000000 ] - [ 0.0021029300000000, 0.0000202500000000, -0.0040937200000000 ] - [ 0.0072944200000000, 0.0213700000000000, 0.0063823300000000 ] - [ -0.0018235800000000, 0.0005122500000000, -0.0043114700000000 ] - [ -0.0120512500000000, 0.0225073400000000, -0.0154593000000000 ] - [ -0.0022861400000000, 0.0005159600000000, -0.0039251200000000 ] - [ -0.0019396100000000, -0.0026761300000000, -0.0039468800000000 ] - [ -0.0021319500000000, -0.0005166100000000, -0.0040650500000000 ] - [ -0.0021691100000000, -0.0026720800000000, -0.0042883500000000 ] - [ -0.0019812800000000, -0.0005177100000000, -0.0041724300000000 ] - [ 0.0020587300000000, 0.0014841400000000, 0.0041187100000000 ] - [ 0.0020731300000000, 0.0065223700000000, 0.0041016500000000 ] - [ 0.0029682300000000, -0.0003199200000000, 0.0042913100000000 ] - [ -0.0002793800000000, -0.0018471400000000, 0.0048075300000000 ] - [ 0.0020563800000000, -0.0008013000000000, 0.0041196100000000 ] - [ 0.0020556200000000, -0.0013627800000000, 0.0041199600000000 ] - [ 0.0011438400000000, -0.0003231000000000, 0.0039466300000000 ] - [ 0.0043772800000000, -0.0018436300000000, 0.0034385800000000 ] - [ -0.0039609200000000, 0.0009372000000000, -0.0034685700000000 ] - [ -0.0033495300000000, 0.0003557900000000, -0.0009541700000000 ] - [ -0.0027377900000000, 0.0009393000000000, 0.0019401300000000 ] - [ -0.0033450400000000, 0.0003626600000000, -0.0005860300000000 ] - [ -0.0036284400000000, -0.0009381400000000, -0.0002639400000000 ] - [ -0.0033277200000000, -0.0003710500000000, -0.0006157000000000 ] - [ -0.0030672000000000, -0.0009390900000000, -0.0012727200000000 ] - [ -0.0033699100000000, -0.0003723200000000, -0.0009224400000000 ] - [ 0.0033439900000000, 0.0048828900000000, -0.0007619500000000 ] - [ 0.0033447200000000, 0.0007272900000000, -0.0007651600000000 ] - [ 0.0046343200000000, -0.0014017600000000, -0.0029965900000000 ] - [ 0.0029364700000000, -0.0001173100000000, -0.0008952200000000 ] - [ 0.0033491700000000, -0.0009833500000000, -0.0007700800000000 ] - [ 0.0033474400000000, -0.0006889600000000, -0.0007697400000000 ] - [ 0.0020728300000000, -0.0013982700000000, 0.0014409700000000 ] - [ 0.0037588900000000, -0.0001218600000000, -0.0006415800000000 ] - [ -0.0037398400000000, 0.0009359900000000, 0.0006976600000000 ] - [ -0.0030307100000000, 0.0005179700000000, 0.0004608700000000 ] - [ -0.0029535400000000, 0.0009352900000000, 0.0008446500000000 ] - [ -0.0036647700000000, 0.0005265000000000, 0.0010697800000000 ] - [ -0.0027291800000000, -0.0010555400000000, 0.0011579400000000 ] - [ -0.0035750700000000, -0.0004878400000000, 0.0010380900000000 ] - [ -0.0039671400000000, -0.0010583300000000, 0.0003814200000000 ] - [ -0.0031229700000000, -0.0004884600000000, 0.0005023100000000 ] - [ 0.0033382600000000, 0.0015778200000000, 0.0007615600000000 ] - [ 0.0032262600000000, 0.0044544700000000, 0.0006254400000000 ] - [ 0.0040501200000000, -0.0005335400000000, 0.0004177100000000 ] - [ 0.0021334700000000, -0.0011327400000000, -0.0008267900000000 ] - [ 0.0033488000000000, -0.0006627800000000, 0.0007693900000000 ] - [ 0.0033483400000000, -0.0009921300000000, 0.0007693000000000 ] - [ 0.0026492200000000, -0.0005349600000000, 0.0011217900000000 ] - [ 0.0045576300000000, -0.0011330100000000, 0.0023569500000000 ] - [ 0.0010686600000000, -0.0747570000000000, 0.0018947500000000 ] - [ 0.0003787700000000, -0.0005926300000000, 0.0009179800000000 ] - [ 0.0021930700000000, 0.0085998100000000, 0.0035150200000000 ] - [ 0.0001010200000000, 0.0000451700000000, 0.0007585500000000 ] - [ 0.0003777200000000, 0.0015225200000000, 0.0009174200000000 ] - [ 0.0003776100000000, 0.0004989600000000, 0.0009168700000000 ] - [ -0.0014298400000000, 0.0085031900000000, -0.0016697300000000 ] - [ 0.0006536700000000, 0.0000478800000000, 0.0010739300000000 ] - [ 0.0003924200000000, -0.0000762000000000, -0.0009321000000000 ] - [ 0.0003809800000000, -0.0000764700000000, -0.0009141500000000 ] - [ -0.0002869000000000, -0.0001218400000000, -0.0000801600000000 ] - [ 0.0008343900000000, -0.0001194900000000, -0.0002225100000000 ] - [ 0.0003770500000000, 0.0005504100000000, -0.0009162000000000 ] - [ 0.0003782400000000, 0.0005507900000000, -0.0009164800000000 ] - [ 0.0010384000000000, -0.0001158700000000, -0.0017474300000000 ] - [ -0.0000752800000000, -0.0001184700000000, -0.0016078500000000 ] - [ -0.0001190100000000, -0.0005280700000000, -0.0008155900000000 ] - [ -0.0066152700000000, 0.0007887900000000, 0.0065659800000000 ] - [ -0.0006387900000000, -0.0005287800000000, -0.0010183600000000 ] - [ 0.0059150200000000, 0.0007612600000000, -0.0084473300000000 ] - [ -0.0005262200000000, 0.0005242100000000, -0.0009275400000000 ] - [ -0.0001876500000000, 0.0013285100000000, -0.0014708800000000 ] - [ -0.0002285100000000, 0.0005256000000000, -0.0009059600000000 ] - [ -0.0005682400000000, 0.0013257100000000, -0.0003660800000000 ] - [ 0.0000960000000000, -0.0004887500000000, 0.0014294900000000 ] - [ -0.0004763500000000, -0.0002070200000000, 0.0010750500000000 ] - [ -0.0008520700000000, -0.0004934700000000, 0.0003981600000000 ] - [ -0.0002784600000000, -0.0002081000000000, 0.0007626600000000 ] - [ -0.0004230000000000, 0.0005027100000000, 0.0006866100000000 ] - [ -0.0002096300000000, 0.0002120300000000, 0.0008140400000000 ] - [ -0.0003324600000000, 0.0005041800000000, 0.0011464300000000 ] - [ -0.0005439200000000, 0.0002129000000000, 0.0010193900000000 ] - [ 0.0047404200000000, 0.0000273700000000, -0.0073728100000000 ] - [ -0.0083258400000000, 0.0006393200000000, -0.0063241900000000 ] - [ -0.0091464400000000, 0.0000085800000000, -0.0025784400000000 ] - [ 0.0039817600000000, 0.0006181800000000, -0.0036525000000000 ] - [ -0.0028332200000000, 0.0013059700000000, -0.0048848100000000 ] - [ -0.0016204200000000, 0.0011870800000000, -0.0048166300000000 ] - [ -0.0015524300000000, 0.0013066500000000, -0.0050861300000000 ] - [ -0.0027562700000000, 0.0011857000000000, -0.0051531600000000 ] - [ 0.0021927300000000, -0.0068346000000000, 0.0049848400000000 ] - [ 0.0021834400000000, -0.0006793600000000, 0.0049888100000000 ] - [ 0.0006102300000000, 0.0020058100000000, 0.0027741700000000 ] - [ 0.0027253000000000, 0.0000080400000000, 0.0046148400000000 ] - [ 0.0021893200000000, 0.0015015400000000, 0.0049836900000000 ] - [ 0.0021913600000000, 0.0007174700000000, 0.0049845700000000 ] - [ 0.0037652900000000, 0.0020029300000000, 0.0071878300000000 ] - [ 0.0016580400000000, 0.0000133600000000, 0.0053536900000000 ] - [ -0.0024768100000000, 0.0009593500000000, -0.0019588900000000 ] - [ -0.0020658600000000, -0.0004813500000000, 0.0047872800000000 ] - [ -0.0019183300000000, 0.0009365500000000, 0.0119749400000000 ] - [ -0.0023113900000000, -0.0004845900000000, 0.0051838300000000 ] - [ -0.0021502800000000, 0.0012050700000000, 0.0054699600000000 ] - [ -0.0022653200000000, 0.0004819700000000, 0.0051035100000000 ] - [ -0.0022319400000000, 0.0012042700000000, 0.0045045100000000 ] - [ -0.0021155300000000, 0.0004838000000000, 0.0048677300000000 ] - [ 0.0021909600000000, -0.0005931000000000, -0.0049864000000000 ] - [ 0.0021910800000000, -0.0012468500000000, -0.0049835300000000 ] - [ 0.0019815800000000, -0.0000180500000000, -0.0051081700000000 ] - [ 0.0025859100000000, 0.0001974600000000, -0.0053940200000000 ] - [ 0.0021909500000000, 0.0006170000000000, -0.0049848000000000 ] - [ 0.0021908300000000, 0.0008468900000000, -0.0049847400000000 ] - [ 0.0024002600000000, -0.0000151800000000, -0.0048624800000000 ] - [ 0.0017962300000000, 0.0002000300000000, -0.0045766500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0014241500000000, 0.0008391900000000, 0.0030626500000000 ] - [ -0.0031548600000000, 0.0015319800000000, 0.0017087000000000 ] - [ -0.0014241500000000, -0.0008391900000000, 0.0030626500000000 ] - [ -0.0031548600000000, -0.0015319800000000, 0.0017087000000000 ] - [ -0.0019498100000000, -0.0002305200000000, 0.0039851700000000 ] - [ -0.0020130400000000, -0.0002468900000000, 0.0038455000000000 ] - [ -0.0019498100000000, 0.0002305200000000, 0.0039851700000000 ] - [ -0.0020130400000000, 0.0002468900000000, 0.0038455000000000 ] - [ 0.0017915900000000, 0.0000000000000000, -0.0076014800000000 ] - [ 0.0017814300000000, 0.0000000000000000, -0.0048566300000000 ] - [ 0.0025022100000000, -0.0008470300000000, -0.0053492600000000 ] - [ 0.0019243600000000, -0.0003117900000000, -0.0045297200000000 ] - [ 0.0020399300000000, 0.0000000000000000, -0.0043159900000000 ] - [ 0.0020453700000000, 0.0000000000000000, -0.0042552400000000 ] - [ 0.0025022100000000, 0.0008470300000000, -0.0053492600000000 ] - [ 0.0019243600000000, 0.0003117900000000, -0.0045297200000000 ] - [ 0.0032439000000000, 0.0113525200000000, 0.0073198100000000 ] - [ -0.0020548100000000, -0.0000164500000000, -0.0031010500000000 ] - [ 0.0032439000000000, -0.0113525200000000, 0.0073198100000000 ] - [ -0.0020548100000000, 0.0000164500000000, -0.0031010500000000 ] - [ -0.0021528900000000, 0.0009809300000000, -0.0038189100000000 ] - [ -0.0019514700000000, -0.0000097100000000, -0.0039144100000000 ] - [ -0.0021528900000000, -0.0009809300000000, -0.0038189100000000 ] - [ -0.0019514700000000, 0.0000097100000000, -0.0039144100000000 ] - [ 0.0008769300000000, 0.0000000000000000, 0.0051420700000000 ] - [ 0.0009473500000000, 0.0000000000000000, 0.0091143100000000 ] - [ 0.0017282500000000, -0.0001838400000000, 0.0046936900000000 ] - [ 0.0035786500000000, 0.0017876400000000, 0.0046898400000000 ] - [ 0.0019689900000000, 0.0000000000000000, 0.0042588900000000 ] - [ 0.0023191600000000, 0.0000000000000000, 0.0042584900000000 ] - [ 0.0017282500000000, 0.0001838400000000, 0.0046936900000000 ] - [ 0.0035786500000000, -0.0017876400000000, 0.0046898400000000 ] - [ -0.0038559400000000, -0.0006566000000000, -0.0034699300000000 ] - [ -0.0029232200000000, -0.0003505200000000, -0.0011055300000000 ] - [ -0.0038559400000000, 0.0006566000000000, -0.0034699300000000 ] - [ -0.0029232200000000, 0.0003505200000000, -0.0011055300000000 ] - [ -0.0032740000000000, 0.0002148000000000, -0.0013114200000000 ] - [ -0.0032505700000000, 0.0000270800000000, -0.0009102100000000 ] - [ -0.0032740000000000, -0.0002148000000000, -0.0013114200000000 ] - [ -0.0032505700000000, -0.0000270800000000, -0.0009102100000000 ] - [ -0.0010963100000000, 0.0000000000000000, 0.0079387600000000 ] - [ 0.0009036600000000, 0.0000000000000000, 0.0005063500000000 ] - [ 0.0033030200000000, -0.0013313800000000, 0.0010296500000000 ] - [ 0.0033450300000000, -0.0003566500000000, -0.0006471400000000 ] - [ 0.0032797500000000, 0.0000000000000000, -0.0004288400000000 ] - [ 0.0034721300000000, 0.0000000000000000, -0.0006536900000000 ] - [ 0.0033030200000000, 0.0013313800000000, 0.0010296500000000 ] - [ 0.0033450300000000, 0.0003566500000000, -0.0006471400000000 ] - [ -0.0042037900000000, -0.0005025700000000, -0.0002233800000000 ] - [ -0.0024138900000000, -0.0005308600000000, -0.0013146300000000 ] - [ -0.0042037900000000, 0.0005025700000000, -0.0002233800000000 ] - [ -0.0024138900000000, 0.0005308600000000, -0.0013146300000000 ] - [ -0.0036863700000000, 0.0002373600000000, 0.0004255900000000 ] - [ -0.0031773900000000, 0.0001079000000000, 0.0004104100000000 ] - [ -0.0036863700000000, -0.0002373600000000, 0.0004255900000000 ] - [ -0.0031773900000000, -0.0001079000000000, 0.0004104100000000 ] - [ 0.0053677900000000, 0.0000000000000000, 0.0022609200000000 ] - [ 0.0181124600000000, 0.0000000000000000, 0.0229058700000000 ] - [ 0.0034269200000000, -0.0003356900000000, 0.0009203600000000 ] - [ 0.0031472400000000, -0.0015366100000000, 0.0022478300000000 ] - [ 0.0033230400000000, 0.0000000000000000, 0.0008763800000000 ] - [ 0.0033349500000000, 0.0000000000000000, 0.0010841000000000 ] - [ 0.0034269200000000, 0.0003356900000000, 0.0009203600000000 ] - [ 0.0031472400000000, 0.0015366100000000, 0.0022478300000000 ] - [ -0.0193765800000000, 0.0000000000000000, -0.0881875200000000 ] - [ 0.0004747400000000, 0.0000000000000000, -0.0007032400000000 ] - [ -0.0006364100000000, -0.0026011600000000, -0.0024002200000000 ] - [ 0.0004323100000000, 0.0001570100000000, 0.0005602500000000 ] - [ 0.0002301100000000, 0.0000000000000000, 0.0003248700000000 ] - [ 0.0003676100000000, 0.0000000000000000, 0.0008070800000000 ] - [ -0.0006364100000000, 0.0026011600000000, -0.0024002200000000 ] - [ 0.0004323100000000, -0.0001570100000000, 0.0005602500000000 ] - [ -0.0031470200000000, 0.0000000000000000, 0.0031880600000000 ] - [ 0.0042598400000000, 0.0000000000000000, 0.0031852700000000 ] - [ 0.0002539600000000, 0.0006932300000000, -0.0009289200000000 ] - [ 0.0007695900000000, 0.0008331600000000, -0.0009284700000000 ] - [ 0.0004358200000000, 0.0000000000000000, -0.0009925200000000 ] - [ 0.0004046700000000, 0.0000000000000000, -0.0009930900000000 ] - [ 0.0002539600000000, -0.0006932300000000, -0.0009289200000000 ] - [ 0.0007695900000000, -0.0008331600000000, -0.0009284700000000 ] - [ -0.0001375200000000, 0.0001010900000000, -0.0012675800000000 ] - [ -0.0038881300000000, 0.0074693000000000, 0.0073946800000000 ] - [ -0.0001375200000000, -0.0001010900000000, -0.0012675800000000 ] - [ -0.0038881300000000, -0.0074693000000000, 0.0073946800000000 ] - [ -0.0003138100000000, -0.0000113200000000, -0.0009875000000000 ] - [ -0.0003393800000000, -0.0005523400000000, -0.0004497500000000 ] - [ -0.0003138100000000, 0.0000113200000000, -0.0009875000000000 ] - [ -0.0003393800000000, 0.0005523400000000, -0.0004497500000000 ] - [ -0.0000611600000000, -0.0005163000000000, 0.0027295800000000 ] - [ -0.0002547200000000, -0.0001561000000000, 0.0021847100000000 ] - [ -0.0000611600000000, 0.0005163000000000, 0.0027295800000000 ] - [ -0.0002547200000000, 0.0001561000000000, 0.0021847100000000 ] - [ -0.0003738200000000, 0.0002325300000000, 0.0013972800000000 ] - [ -0.0004532100000000, 0.0001029600000000, 0.0012303100000000 ] - [ -0.0003738200000000, -0.0002325300000000, 0.0013972800000000 ] - [ -0.0004532100000000, -0.0001029600000000, 0.0012303100000000 ] - [ -0.0029719500000000, -0.0027178200000000, -0.0089715900000000 ] - [ -0.0005125900000000, -0.0019070300000000, -0.0099198100000000 ] - [ -0.0029719500000000, 0.0027178200000000, -0.0089715900000000 ] - [ -0.0005125900000000, 0.0019070300000000, -0.0099198100000000 ] - [ -0.0019012200000000, 0.0001175800000000, -0.0053964900000000 ] - [ -0.0024043600000000, 0.0001195400000000, -0.0055218600000000 ] - [ -0.0019012200000000, -0.0001175800000000, -0.0053964900000000 ] - [ -0.0024043600000000, -0.0001195400000000, -0.0055218600000000 ] - [ 0.0097619500000000, 0.0000000000000000, 0.0141993200000000 ] - [ -0.0001412400000000, 0.0000000000000000, 0.0059177400000000 ] - [ 0.0032420200000000, -0.0015102300000000, 0.0060590100000000 ] - [ 0.0015312100000000, -0.0003820100000000, 0.0050096000000000 ] - [ 0.0024027700000000, 0.0000000000000000, 0.0051182800000000 ] - [ 0.0019826200000000, 0.0000000000000000, 0.0049912100000000 ] - [ 0.0032420200000000, 0.0015102300000000, 0.0060590100000000 ] - [ 0.0015312100000000, 0.0003820100000000, 0.0050096000000000 ] - [ -0.0026048600000000, -0.0105598300000000, 0.0149421900000000 ] - [ -0.0022321400000000, -0.0007518000000000, 0.0052163100000000 ] - [ -0.0026048600000000, 0.0105598300000000, 0.0149421900000000 ] - [ -0.0022321400000000, 0.0007518000000000, 0.0052163100000000 ] - [ -0.0022206800000000, 0.0006442600000000, 0.0048650500000000 ] - [ -0.0022029100000000, 0.0002462100000000, 0.0049755700000000 ] - [ -0.0022206800000000, -0.0006442600000000, 0.0048650500000000 ] - [ -0.0022029100000000, -0.0002462100000000, 0.0049755700000000 ] - [ 0.0020750600000000, 0.0000000000000000, -0.0039105000000000 ] - [ 0.0020609400000000, 0.0000000000000000, -0.0021945000000000 ] - [ 0.0021909800000000, 0.0000652200000000, -0.0044517100000000 ] - [ 0.0020547500000000, -0.0001539800000000, -0.0037592700000000 ] - [ 0.0022159400000000, 0.0000000000000000, -0.0047852500000000 ] - [ 0.0021658700000000, 0.0000000000000000, -0.0046494100000000 ] - [ 0.0021909800000000, -0.0000652200000000, -0.0044517100000000 ] - [ 0.0020547500000000, 0.0001539800000000, -0.0037592700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0026696700000000, -0.0008395500000000, 0.0051728900000000 ] - [ -0.0009484800000000, -0.0015412100000000, 0.0065277500000000 ] - [ -0.0026696700000000, 0.0008395500000000, 0.0051728900000000 ] - [ -0.0009484800000000, 0.0015412100000000, 0.0065277500000000 ] - [ -0.0021430000000000, 0.0002289700000000, 0.0042466000000000 ] - [ -0.0020835400000000, 0.0002469400000000, 0.0043863800000000 ] - [ -0.0021430000000000, -0.0002289700000000, 0.0042466000000000 ] - [ -0.0020835400000000, -0.0002469400000000, 0.0043863800000000 ] - [ 0.0023150500000000, 0.0000000000000000, -0.0006315400000000 ] - [ 0.0023126300000000, 0.0000000000000000, -0.0033739400000000 ] - [ 0.0015991600000000, 0.0008370700000000, -0.0028888000000000 ] - [ 0.0021701000000000, 0.0003127900000000, -0.0037011600000000 ] - [ 0.0020536400000000, 0.0000000000000000, -0.0039156400000000 ] - [ 0.0020493900000000, 0.0000000000000000, -0.0039765300000000 ] - [ 0.0015991600000000, -0.0008370700000000, -0.0028888000000000 ] - [ 0.0021701000000000, -0.0003127900000000, -0.0037011600000000 ] - [ -0.0075145100000000, -0.0117838800000000, -0.0155974000000000 ] - [ -0.0020403800000000, 0.0000136600000000, -0.0051311600000000 ] - [ -0.0075145100000000, 0.0117838800000000, -0.0155974000000000 ] - [ -0.0020403800000000, -0.0000136600000000, -0.0051311600000000 ] - [ -0.0019420400000000, -0.0009783300000000, -0.0044131700000000 ] - [ -0.0021439300000000, 0.0000109100000000, -0.0043188800000000 ] - [ -0.0019420400000000, 0.0009783300000000, -0.0044131700000000 ] - [ -0.0021439300000000, -0.0000109100000000, -0.0043188800000000 ] - [ 0.0032220400000000, 0.0000000000000000, 0.0030834900000000 ] - [ 0.0035605200000000, 0.0000000000000000, -0.0011070000000000 ] - [ 0.0023675000000000, 0.0001837700000000, 0.0035378500000000 ] - [ 0.0005184000000000, -0.0017912300000000, 0.0035387600000000 ] - [ 0.0021271500000000, 0.0000000000000000, 0.0039721700000000 ] - [ 0.0017765500000000, 0.0000000000000000, 0.0039717800000000 ] - [ 0.0023675000000000, -0.0001837700000000, 0.0035378500000000 ] - [ 0.0005184000000000, 0.0017912300000000, 0.0035387600000000 ] - [ -0.0028387800000000, 0.0006648900000000, 0.0019383900000000 ] - [ -0.0037696500000000, 0.0003485500000000, -0.0004319700000000 ] - [ -0.0028387800000000, -0.0006648900000000, 0.0019383900000000 ] - [ -0.0037696500000000, -0.0003485500000000, -0.0004319700000000 ] - [ -0.0034202800000000, -0.0002148400000000, -0.0002274900000000 ] - [ -0.0034438000000000, -0.0000266900000000, -0.0006272800000000 ] - [ -0.0034202800000000, 0.0002148400000000, -0.0002274900000000 ] - [ -0.0034438000000000, 0.0000266900000000, -0.0006272800000000 ] - [ 0.0071733300000000, 0.0000000000000000, -0.0089031800000000 ] - [ 0.0058014600000000, 0.0000000000000000, -0.0020524800000000 ] - [ 0.0033958900000000, 0.0013245900000000, -0.0025582600000000 ] - [ 0.0033488900000000, 0.0003577100000000, -0.0008904300000000 ] - [ 0.0034149700000000, 0.0000000000000000, -0.0011071200000000 ] - [ 0.0032226300000000, 0.0000000000000000, -0.0008842900000000 ] - [ 0.0033958900000000, -0.0013245900000000, -0.0025582600000000 ] - [ 0.0033488900000000, -0.0003577100000000, -0.0008904300000000 ] - [ -0.0024854100000000, 0.0005075800000000, 0.0017604400000000 ] - [ -0.0042852400000000, 0.0005298300000000, 0.0028519700000000 ] - [ -0.0024854100000000, -0.0005075800000000, 0.0017604400000000 ] - [ -0.0042852400000000, -0.0005298300000000, 0.0028519700000000 ] - [ -0.0030101000000000, -0.0002365200000000, 0.0011101500000000 ] - [ -0.0035172100000000, -0.0001082700000000, 0.0011253800000000 ] - [ -0.0030101000000000, 0.0002365200000000, 0.0011101500000000 ] - [ -0.0035172100000000, 0.0001082700000000, 0.0011253800000000 ] - [ 0.0013247300000000, 0.0000000000000000, -0.0007292300000000 ] - [ -0.0103009500000000, 0.0000000000000000, -0.0203297400000000 ] - [ 0.0032686700000000, 0.0003371500000000, 0.0006171300000000 ] - [ 0.0035422200000000, 0.0015299100000000, -0.0007043800000000 ] - [ 0.0033725800000000, 0.0000000000000000, 0.0006609700000000 ] - [ 0.0033593000000000, 0.0000000000000000, 0.0004538700000000 ] - [ 0.0032686700000000, -0.0003371500000000, 0.0006171300000000 ] - [ 0.0035422200000000, -0.0015299100000000, -0.0007043800000000 ] - [ 0.0195907200000000, 0.0000000000000000, 0.0887788700000000 ] - [ 0.0002726300000000, 0.0000000000000000, 0.0025408300000000 ] - [ 0.0013810500000000, 0.0025829200000000, 0.0042232700000000 ] - [ 0.0003167400000000, -0.0001581400000000, 0.0012720700000000 ] - [ 0.0005204500000000, 0.0000000000000000, 0.0015046700000000 ] - [ 0.0003827300000000, 0.0000000000000000, 0.0010254700000000 ] - [ 0.0013810500000000, -0.0025829200000000, 0.0042232700000000 ] - [ 0.0003167400000000, 0.0001581400000000, 0.0012720700000000 ] - [ 0.0038941600000000, 0.0000000000000000, -0.0050259200000000 ] - [ -0.0035165100000000, 0.0000000000000000, -0.0050276800000000 ] - [ 0.0004937400000000, -0.0006921700000000, -0.0009049200000000 ] - [ -0.0000169200000000, -0.0008336900000000, -0.0009040100000000 ] - [ 0.0003134800000000, 0.0000000000000000, -0.0008392800000000 ] - [ 0.0003463600000000, 0.0000000000000000, -0.0008391500000000 ] - [ 0.0004937400000000, 0.0006921700000000, -0.0009049200000000 ] - [ -0.0000169200000000, 0.0008336900000000, -0.0009040100000000 ] - [ -0.0006159400000000, -0.0001016300000000, -0.0005645000000000 ] - [ 0.0031838300000000, -0.0075440600000000, -0.0092899200000000 ] - [ -0.0006159400000000, 0.0001016300000000, -0.0005645000000000 ] - [ 0.0031838300000000, 0.0075440600000000, -0.0092899200000000 ] - [ -0.0004381200000000, 0.0000103700000000, -0.0008442800000000 ] - [ -0.0004131300000000, 0.0005525000000000, -0.0013816600000000 ] - [ -0.0004381200000000, -0.0000103700000000, -0.0008442800000000 ] - [ -0.0004131300000000, -0.0005525000000000, -0.0013816600000000 ] - [ -0.0006930300000000, 0.0005151900000000, -0.0008982800000000 ] - [ -0.0004955100000000, 0.0001560900000000, -0.0003526400000000 ] - [ -0.0006930300000000, -0.0005151900000000, -0.0008982800000000 ] - [ -0.0004955100000000, -0.0001560900000000, -0.0003526400000000 ] - [ -0.0003775900000000, -0.0002283300000000, 0.0004347200000000 ] - [ -0.0002967200000000, -0.0001025800000000, 0.0006009500000000 ] - [ -0.0003775900000000, 0.0002283300000000, 0.0004347200000000 ] - [ -0.0002967200000000, 0.0001025800000000, 0.0006009500000000 ] - [ -0.0013825100000000, 0.0027332500000000, -0.0009968800000000 ] - [ -0.0038874200000000, 0.0019338900000000, -0.0000430000000000 ] - [ -0.0013825100000000, -0.0027332500000000, -0.0009968800000000 ] - [ -0.0038874200000000, -0.0019338900000000, -0.0000430000000000 ] - [ -0.0024780300000000, -0.0001173800000000, -0.0045535900000000 ] - [ -0.0019737500000000, -0.0001196300000000, -0.0044280500000000 ] - [ -0.0024780300000000, 0.0001173800000000, -0.0045535900000000 ] - [ -0.0019737500000000, 0.0001196300000000, -0.0044280500000000 ] - [ -0.0054986800000000, 0.0000000000000000, -0.0043618100000000 ] - [ 0.0045185800000000, 0.0000000000000000, 0.0040343700000000 ] - [ 0.0011362300000000, 0.0015117600000000, 0.0038942000000000 ] - [ 0.0028494600000000, 0.0003835700000000, 0.0049391000000000 ] - [ 0.0019750900000000, 0.0000000000000000, 0.0048303000000000 ] - [ 0.0023965800000000, 0.0000000000000000, 0.0049558500000000 ] - [ 0.0011362300000000, -0.0015117600000000, 0.0038942000000000 ] - [ 0.0028494600000000, -0.0003835700000000, 0.0049391000000000 ] - [ -0.0017756400000000, 0.0104302600000000, -0.0048459400000000 ] - [ -0.0021468600000000, 0.0007554400000000, 0.0047307000000000 ] - [ -0.0017756400000000, -0.0104302600000000, -0.0048459400000000 ] - [ -0.0021468600000000, -0.0007554400000000, 0.0047307000000000 ] - [ -0.0021588600000000, -0.0006412600000000, 0.0050808000000000 ] - [ -0.0021770700000000, -0.0002471600000000, 0.0049727400000000 ] - [ -0.0021588600000000, 0.0006412600000000, 0.0050808000000000 ] - [ -0.0021770700000000, 0.0002471600000000, 0.0049727400000000 ] - [ 0.0023035000000000, 0.0000000000000000, -0.0060405300000000 ] - [ 0.0023253200000000, 0.0000000000000000, -0.0077600200000000 ] - [ 0.0021875600000000, -0.0000652500000000, -0.0054973700000000 ] - [ 0.0023289300000000, 0.0001570300000000, -0.0061907900000000 ] - [ 0.0021636400000000, 0.0000000000000000, -0.0051625200000000 ] - [ 0.0022164300000000, 0.0000000000000000, -0.0052970500000000 ] - [ 0.0021875600000000, 0.0000652500000000, -0.0054973700000000 ] - [ 0.0023289300000000, -0.0001570300000000, -0.0061907900000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000460900000000, 0.0000000000000000, 0.0053041400000000 ] - [ -0.0036379600000000, 0.0000000000000000, 0.0035502500000000 ] - [ -0.0010357700000000, 0.0003407700000000, 0.0044586600000000 ] - [ -0.0028205500000000, -0.0001616300000000, 0.0038707000000000 ] - [ -0.0017881200000000, 0.0000000000000000, 0.0041472500000000 ] - [ -0.0023389200000000, 0.0000000000000000, 0.0040776500000000 ] - [ -0.0010357700000000, -0.0003407700000000, 0.0044586600000000 ] - [ -0.0028205500000000, 0.0001616300000000, 0.0038707000000000 ] - [ 0.0024727500000000, -0.0003782600000000, -0.0055928800000000 ] - [ 0.0013172500000000, 0.0003945500000000, -0.0034511100000000 ] - [ 0.0023649500000000, -0.0002141700000000, -0.0043177600000000 ] - [ 0.0017599700000000, 0.0002638300000000, -0.0039084400000000 ] - [ 0.0023649500000000, 0.0002141700000000, -0.0043177600000000 ] - [ 0.0017599700000000, -0.0002638300000000, -0.0039084400000000 ] - [ 0.0024727500000000, 0.0003782600000000, -0.0055928800000000 ] - [ 0.0013172500000000, -0.0003945500000000, -0.0034511100000000 ] - [ 0.0027476500000000, 0.0000000000000000, -0.0054900900000000 ] - [ -0.0058777900000000, 0.0000000000000000, -0.0057364300000000 ] - [ -0.0017530400000000, -0.0023215500000000, -0.0034347900000000 ] - [ -0.0030903100000000, 0.0015483700000000, -0.0046593500000000 ] - [ -0.0018845400000000, 0.0000000000000000, -0.0040542900000000 ] - [ -0.0022343100000000, 0.0000000000000000, -0.0041663100000000 ] - [ -0.0017530400000000, 0.0023215500000000, -0.0034347900000000 ] - [ -0.0030903100000000, -0.0015483700000000, -0.0046593500000000 ] - [ 0.0053427200000000, 0.0010880900000000, 0.0028756500000000 ] - [ -0.0001049700000000, -0.0008872300000000, 0.0047746800000000 ] - [ 0.0025158200000000, 0.0004575000000000, 0.0042115600000000 ] - [ 0.0015525200000000, -0.0002711300000000, 0.0041870600000000 ] - [ 0.0025158200000000, -0.0004575000000000, 0.0042115600000000 ] - [ 0.0015525200000000, 0.0002711300000000, 0.0041870600000000 ] - [ 0.0053427200000000, -0.0010880900000000, 0.0028756500000000 ] - [ -0.0001049700000000, 0.0008872300000000, 0.0047746800000000 ] - [ -0.0031400100000000, 0.0000000000000000, 0.0008449800000000 ] - [ -0.0040487300000000, 0.0000000000000000, -0.0019676400000000 ] - [ -0.0034765600000000, -0.0003837400000000, -0.0004619700000000 ] - [ -0.0035037700000000, 0.0003455700000000, -0.0011657200000000 ] - [ -0.0034042000000000, 0.0000000000000000, -0.0007266200000000 ] - [ -0.0032893700000000, 0.0000000000000000, -0.0007903000000000 ] - [ -0.0034765600000000, 0.0003837400000000, -0.0004619700000000 ] - [ -0.0035037700000000, -0.0003455700000000, -0.0011657200000000 ] - [ 0.0107636200000000, 0.0012175300000000, -0.0000900400000000 ] - [ 0.0007023300000000, 0.0005326100000000, -0.0000281500000000 ] - [ 0.0040327200000000, -0.0003724900000000, -0.0006675900000000 ] - [ 0.0027427000000000, 0.0002675200000000, -0.0008401500000000 ] - [ 0.0040327200000000, 0.0003724900000000, -0.0006675900000000 ] - [ 0.0027427000000000, -0.0002675200000000, -0.0008401500000000 ] - [ 0.0107636200000000, -0.0012175300000000, -0.0000900400000000 ] - [ 0.0007023300000000, -0.0005326100000000, -0.0000281500000000 ] - [ -0.0015298200000000, 0.0000000000000000, 0.0000335000000000 ] - [ -0.0043900000000000, 0.0000000000000000, 0.0009297500000000 ] - [ -0.0022523500000000, -0.0000686400000000, 0.0004099500000000 ] - [ -0.0040609200000000, 0.0000261900000000, 0.0008374000000000 ] - [ -0.0029751200000000, 0.0000000000000000, 0.0007971000000000 ] - [ -0.0037236800000000, 0.0000000000000000, 0.0007636100000000 ] - [ -0.0022523500000000, 0.0000686400000000, 0.0004099500000000 ] - [ -0.0040609200000000, -0.0000261900000000, 0.0008374000000000 ] - [ 0.0098920000000000, -0.0003804000000000, 0.0006954800000000 ] - [ 0.0006059300000000, -0.0007876700000000, -0.0001827300000000 ] - [ 0.0038136600000000, 0.0004226000000000, 0.0006788300000000 ] - [ 0.0029001300000000, -0.0003333200000000, 0.0008454100000000 ] - [ 0.0038136600000000, -0.0004226000000000, 0.0006788300000000 ] - [ 0.0029001300000000, 0.0003333200000000, 0.0008454100000000 ] - [ 0.0098920000000000, 0.0003804000000000, 0.0006954800000000 ] - [ 0.0006059300000000, 0.0007876700000000, -0.0001827300000000 ] - [ 0.0086165000000000, 0.0069912700000000, 0.0001131900000000 ] - [ 0.0094992300000000, -0.0060984300000000, 0.0025920900000000 ] - [ 0.0006064000000000, 0.0006433000000000, 0.0012054500000000 ] - [ 0.0002902500000000, -0.0005685700000000, 0.0006998400000000 ] - [ 0.0006064000000000, -0.0006433000000000, 0.0012054500000000 ] - [ 0.0002902500000000, 0.0005685700000000, 0.0006998400000000 ] - [ 0.0086165000000000, -0.0069912700000000, 0.0001131900000000 ] - [ 0.0094992300000000, 0.0060984300000000, 0.0025920900000000 ] - [ -0.0057150700000000, -0.0002916800000000, -0.0005209700000000 ] - [ 0.0020082600000000, 0.0001247700000000, -0.0008691100000000 ] - [ -0.0001673500000000, -0.0000412500000000, -0.0008845000000000 ] - [ 0.0008697800000000, 0.0000758500000000, -0.0009023900000000 ] - [ -0.0001673500000000, 0.0000412500000000, -0.0008845000000000 ] - [ 0.0008697800000000, -0.0000758500000000, -0.0009023900000000 ] - [ -0.0057150700000000, 0.0002916800000000, -0.0005209700000000 ] - [ 0.0020082600000000, -0.0001247700000000, -0.0008691100000000 ] - [ 0.0012854600000000, 0.0000000000000000, 0.0066924300000000 ] - [ 0.0023403000000000, 0.0000000000000000, -0.0032526000000000 ] - [ -0.0002682700000000, -0.0015853700000000, 0.0001405200000000 ] - [ 0.0001146600000000, 0.0005366100000000, -0.0015761400000000 ] - [ -0.0004861200000000, 0.0000000000000000, -0.0007013900000000 ] - [ -0.0002456800000000, 0.0000000000000000, -0.0011225500000000 ] - [ -0.0002682700000000, 0.0015853700000000, 0.0001405200000000 ] - [ 0.0001146600000000, -0.0005366100000000, -0.0015761400000000 ] - [ -0.0017075200000000, 0.0000000000000000, 0.0010482200000000 ] - [ 0.0006026100000000, 0.0000000000000000, 0.0010317800000000 ] - [ -0.0010026200000000, 0.0003967200000000, 0.0010523700000000 ] - [ 0.0001600400000000, -0.0002082000000000, 0.0009138300000000 ] - [ -0.0005780600000000, 0.0000000000000000, 0.0009408000000000 ] - [ -0.0001497600000000, 0.0000000000000000, 0.0008884800000000 ] - [ -0.0010026200000000, -0.0003967200000000, 0.0010523700000000 ] - [ 0.0001600400000000, 0.0002082000000000, 0.0009138300000000 ] - [ -0.0652480200000000, 0.0000000000000000, -0.0042909500000000 ] - [ 0.0013446900000000, 0.0000000000000000, -0.0051315200000000 ] - [ -0.0080090100000000, 0.0000830400000000, -0.0053865600000000 ] - [ -0.0005312100000000, 0.0001949700000000, -0.0049677500000000 ] - [ -0.0027630800000000, 0.0000000000000000, -0.0050589000000000 ] - [ -0.0016579300000000, 0.0000000000000000, -0.0049515300000000 ] - [ -0.0080090100000000, -0.0000830400000000, -0.0053865600000000 ] - [ -0.0005312100000000, -0.0001949700000000, -0.0049677500000000 ] - [ -0.0002824800000000, 0.0025126400000000, 0.0014837000000000 ] - [ 0.0038165900000000, -0.0005554400000000, 0.0056546900000000 ] - [ 0.0016017300000000, 0.0002378100000000, 0.0048424900000000 ] - [ 0.0026892300000000, -0.0002304900000000, 0.0050753100000000 ] - [ 0.0016017300000000, -0.0002378100000000, 0.0048424900000000 ] - [ 0.0026892300000000, 0.0002304900000000, 0.0050753100000000 ] - [ -0.0002824800000000, -0.0025126400000000, 0.0014837000000000 ] - [ 0.0038165900000000, 0.0005554400000000, 0.0056546900000000 ] - [ 0.0050534800000000, 0.0000000000000000, 0.0123053900000000 ] - [ 0.0050077700000000, 0.0000000000000000, -0.0019256800000000 ] - [ -0.0011854000000000, 0.0019103600000000, 0.0060710300000000 ] - [ -0.0011814100000000, -0.0018545200000000, 0.0038251500000000 ] - [ -0.0021729600000000, 0.0000000000000000, 0.0051056600000000 ] - [ -0.0021707800000000, 0.0000000000000000, 0.0048743900000000 ] - [ -0.0011854000000000, -0.0019103600000000, 0.0060710300000000 ] - [ -0.0011814100000000, 0.0018545200000000, 0.0038251500000000 ] - [ 0.0017544600000000, -0.0003240900000000, -0.0047480900000000 ] - [ 0.0027921800000000, 0.0002854100000000, -0.0049327700000000 ] - [ 0.0019538600000000, -0.0001953900000000, -0.0049331000000000 ] - [ 0.0024421400000000, 0.0001644400000000, -0.0049772500000000 ] - [ 0.0019538600000000, 0.0001953900000000, -0.0049331000000000 ] - [ 0.0024421400000000, -0.0001644400000000, -0.0049772500000000 ] - [ 0.0017544600000000, 0.0003240900000000, -0.0047480900000000 ] - [ 0.0027921800000000, -0.0002854100000000, -0.0049327700000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0040538800000000, 0.0000000000000000, 0.0029348500000000 ] - [ -0.0004666400000000, 0.0000000000000000, 0.0046742100000000 ] - [ -0.0030584800000000, -0.0003383600000000, 0.0037770300000000 ] - [ -0.0012739400000000, 0.0001560100000000, 0.0043596800000000 ] - [ -0.0023055900000000, 0.0000000000000000, 0.0040855700000000 ] - [ -0.0017568200000000, 0.0000000000000000, 0.0041548500000000 ] - [ -0.0030584800000000, 0.0003383600000000, 0.0037770300000000 ] - [ -0.0012739400000000, -0.0001560100000000, 0.0043596800000000 ] - [ 0.0016295900000000, 0.0003728900000000, -0.0026476700000000 ] - [ 0.0027749100000000, -0.0004003700000000, -0.0047848700000000 ] - [ 0.0017319700000000, 0.0002117200000000, -0.0039153000000000 ] - [ 0.0023317700000000, -0.0002627800000000, -0.0043216100000000 ] - [ 0.0017319700000000, -0.0002117200000000, -0.0039153000000000 ] - [ 0.0023317700000000, 0.0002627800000000, -0.0043216100000000 ] - [ 0.0016295900000000, -0.0003728900000000, -0.0026476700000000 ] - [ 0.0027749100000000, 0.0004003700000000, -0.0047848700000000 ] - [ -0.0064048200000000, 0.0000000000000000, -0.0030204800000000 ] - [ 0.0018026800000000, 0.0000000000000000, -0.0024666000000000 ] - [ -0.0023336600000000, 0.0023021600000000, -0.0047932900000000 ] - [ -0.0010157300000000, -0.0015506600000000, -0.0035667500000000 ] - [ -0.0022083100000000, 0.0000000000000000, -0.0041779500000000 ] - [ -0.0018622300000000, 0.0000000000000000, -0.0040662300000000 ] - [ -0.0023336600000000, -0.0023021600000000, -0.0047932900000000 ] - [ -0.0010157300000000, 0.0015506600000000, -0.0035667500000000 ] - [ -0.0013315200000000, -0.0010188500000000, 0.0052808000000000 ] - [ 0.0041963400000000, 0.0008867800000000, 0.0034689900000000 ] - [ 0.0015782100000000, -0.0004512700000000, 0.0040192200000000 ] - [ 0.0025416400000000, 0.0002677500000000, 0.0040464700000000 ] - [ 0.0015782100000000, 0.0004512700000000, 0.0040192200000000 ] - [ 0.0025416400000000, -0.0002677500000000, 0.0040464700000000 ] - [ -0.0013315200000000, 0.0010188500000000, 0.0052808000000000 ] - [ 0.0041963400000000, -0.0008867800000000, 0.0034689900000000 ] - [ -0.0035553200000000, 0.0000000000000000, -0.0023845500000000 ] - [ -0.0026530800000000, 0.0000000000000000, 0.0004306700000000 ] - [ -0.0032161500000000, 0.0003823800000000, -0.0010733000000000 ] - [ -0.0031978900000000, -0.0003441700000000, -0.0003748800000000 ] - [ -0.0032899400000000, 0.0000000000000000, -0.0008091500000000 ] - [ -0.0034060700000000, 0.0000000000000000, -0.0007466100000000 ] - [ -0.0032161500000000, -0.0003823800000000, -0.0010733000000000 ] - [ -0.0031978900000000, 0.0003441700000000, -0.0003748800000000 ] - [ -0.0039379200000000, -0.0010186500000000, -0.0013261200000000 ] - [ 0.0059889300000000, -0.0005410700000000, -0.0015112800000000 ] - [ 0.0026686600000000, 0.0003738400000000, -0.0008679700000000 ] - [ 0.0039485600000000, -0.0002683000000000, -0.0006989400000000 ] - [ 0.0026686600000000, -0.0003738400000000, -0.0008679700000000 ] - [ 0.0039485600000000, 0.0002683000000000, -0.0006989400000000 ] - [ -0.0039379200000000, 0.0010186500000000, -0.0013261200000000 ] - [ 0.0059889300000000, 0.0005410700000000, -0.0015112800000000 ] - [ -0.0051576100000000, 0.0000000000000000, 0.0014952600000000 ] - [ -0.0023073500000000, 0.0000000000000000, 0.0006097100000000 ] - [ -0.0044340000000000, 0.0000694000000000, 0.0011207500000000 ] - [ -0.0026351900000000, -0.0000292400000000, 0.0007013700000000 ] - [ -0.0037180900000000, 0.0000000000000000, 0.0007415800000000 ] - [ -0.0029712900000000, 0.0000000000000000, 0.0007723200000000 ] - [ -0.0044340000000000, -0.0000694000000000, 0.0011207500000000 ] - [ -0.0026351900000000, 0.0000292400000000, 0.0007013700000000 ] - [ -0.0033842100000000, 0.0006269500000000, 0.0009954900000000 ] - [ 0.0060767400000000, 0.0007760900000000, 0.0017120100000000 ] - [ 0.0028777700000000, -0.0004181100000000, 0.0008602000000000 ] - [ 0.0037952700000000, 0.0003301600000000, 0.0006907500000000 ] - [ 0.0028777700000000, 0.0004181100000000, 0.0008602000000000 ] - [ 0.0037952700000000, -0.0003301600000000, 0.0006907500000000 ] - [ -0.0033842100000000, -0.0006269500000000, 0.0009954900000000 ] - [ 0.0060767400000000, -0.0007760900000000, 0.0017120100000000 ] - [ -0.0077727000000000, -0.0068978300000000, 0.0017037200000000 ] - [ -0.0088419400000000, 0.0062088900000000, -0.0007823700000000 ] - [ 0.0001440300000000, -0.0006373600000000, 0.0006296900000000 ] - [ 0.0004630200000000, 0.0005682700000000, 0.0011327700000000 ] - [ 0.0001440300000000, 0.0006373600000000, 0.0006296900000000 ] - [ 0.0004630200000000, -0.0005682700000000, 0.0011327700000000 ] - [ -0.0077727000000000, 0.0068978300000000, 0.0017037200000000 ] - [ -0.0088419400000000, -0.0062088900000000, -0.0007823700000000 ] - [ 0.0064498300000000, 0.0002669300000000, -0.0013519800000000 ] - [ -0.0012524900000000, -0.0001207400000000, -0.0009569800000000 ] - [ 0.0009171100000000, 0.0000404600000000, -0.0009481000000000 ] - [ -0.0001165600000000, -0.0000739700000000, -0.0009292200000000 ] - [ 0.0009171100000000, -0.0000404600000000, -0.0009481000000000 ] - [ -0.0001165600000000, 0.0000739700000000, -0.0009292200000000 ] - [ 0.0064498300000000, -0.0002669300000000, -0.0013519800000000 ] - [ -0.0012524900000000, 0.0001207400000000, -0.0009569800000000 ] - [ -0.0020119800000000, 0.0000000000000000, -0.0085698900000000 ] - [ -0.0030859400000000, 0.0000000000000000, 0.0014069000000000 ] - [ -0.0004765800000000, 0.0015685800000000, -0.0019666000000000 ] - [ -0.0008643900000000, -0.0005317800000000, -0.0002609600000000 ] - [ -0.0002643900000000, 0.0000000000000000, -0.0011287200000000 ] - [ -0.0005083800000000, 0.0000000000000000, -0.0007100500000000 ] - [ -0.0004765800000000, -0.0015685800000000, -0.0019666000000000 ] - [ -0.0008643900000000, 0.0005317800000000, -0.0002609600000000 ] - [ 0.0009503400000000, 0.0000000000000000, 0.0007846900000000 ] - [ -0.0013506100000000, 0.0000000000000000, 0.0008051100000000 ] - [ 0.0002480700000000, -0.0003936200000000, 0.0007796000000000 ] - [ -0.0009081900000000, 0.0002112600000000, 0.0009199700000000 ] - [ -0.0001731200000000, 0.0000000000000000, 0.0008904800000000 ] - [ -0.0005993200000000, 0.0000000000000000, 0.0009421500000000 ] - [ 0.0002480700000000, 0.0003936200000000, 0.0007796000000000 ] - [ -0.0009081900000000, -0.0002112600000000, 0.0009199700000000 ] - [ 0.0607688300000000, 0.0000000000000000, -0.0057613600000000 ] - [ -0.0057199100000000, 0.0000000000000000, -0.0048167800000000 ] - [ 0.0036168300000000, -0.0001650000000000, -0.0045698200000000 ] - [ -0.0038422200000000, -0.0001859800000000, -0.0049815000000000 ] - [ -0.0016208300000000, 0.0000000000000000, -0.0048884100000000 ] - [ -0.0027179600000000, 0.0000000000000000, -0.0049968200000000 ] - [ 0.0036168300000000, 0.0001650000000000, -0.0045698200000000 ] - [ -0.0038422200000000, 0.0001859800000000, -0.0049815000000000 ] - [ 0.0046256500000000, -0.0025130700000000, 0.0084697300000000 ] - [ 0.0005690000000000, 0.0005622200000000, 0.0042882700000000 ] - [ 0.0027707500000000, -0.0002389400000000, 0.0051049000000000 ] - [ 0.0016932300000000, 0.0002333100000000, 0.0048714300000000 ] - [ 0.0027707500000000, 0.0002389400000000, 0.0051049000000000 ] - [ 0.0016932300000000, -0.0002333100000000, 0.0048714300000000 ] - [ 0.0046256500000000, 0.0025130700000000, 0.0084697300000000 ] - [ 0.0005690000000000, -0.0005622200000000, 0.0042882700000000 ] - [ -0.0093807000000000, 0.0000000000000000, -0.0022742600000000 ] - [ -0.0094260200000000, 0.0000000000000000, 0.0119400700000000 ] - [ -0.0031958100000000, -0.0018966300000000, 0.0038850800000000 ] - [ -0.0031914200000000, 0.0018588000000000, 0.0061246000000000 ] - [ -0.0022084000000000, 0.0000000000000000, 0.0048420100000000 ] - [ -0.0022059900000000, 0.0000000000000000, 0.0050728400000000 ] - [ -0.0031958100000000, 0.0018966300000000, 0.0038850800000000 ] - [ -0.0031914200000000, -0.0018588000000000, 0.0061246000000000 ] - [ 0.0026280100000000, 0.0003230600000000, -0.0051970300000000 ] - [ 0.0015843500000000, -0.0002830400000000, -0.0050145100000000 ] - [ 0.0024261600000000, 0.0001949600000000, -0.0050138400000000 ] - [ 0.0019389700000000, -0.0001625700000000, -0.0049703200000000 ] - [ 0.0024261600000000, -0.0001949600000000, -0.0050138400000000 ] - [ 0.0019389700000000, 0.0001625700000000, -0.0049703200000000 ] - [ 0.0026280100000000, -0.0003230600000000, -0.0051970300000000 ] - [ 0.0015843500000000, 0.0002830400000000, -0.0050145100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020617200000000, 0.0037366400000000, 0.0041227900000000 ] - [ -0.0020616700000000, 0.0009555200000000, 0.0041218800000000 ] - [ -0.0017735600000000, -0.0012554500000000, 0.0027311100000000 ] - [ -0.0024011600000000, -0.0000984500000000, 0.0037136300000000 ] - [ -0.0020621200000000, -0.0013649200000000, 0.0041207200000000 ] - [ -0.0020630100000000, -0.0007511300000000, 0.0041223300000000 ] - [ -0.0023501400000000, -0.0012555800000000, 0.0055067800000000 ] - [ -0.0017231000000000, -0.0001006000000000, 0.0045314600000000 ] - [ 0.0013520600000000, 0.0009820100000000, -0.0054948100000000 ] - [ 0.0021274600000000, 0.0008049900000000, -0.0043432800000000 ] - [ 0.0019189400000000, -0.0009618300000000, -0.0044226200000000 ] - [ 0.0022684000000000, -0.0007754800000000, -0.0043276500000000 ] - [ 0.0022038800000000, -0.0009631800000000, -0.0038260800000000 ] - [ 0.0018572100000000, -0.0007792200000000, -0.0039174800000000 ] - [ 0.0027699700000000, 0.0009785400000000, -0.0027517000000000 ] - [ 0.0019981100000000, 0.0008033700000000, -0.0039048300000000 ] - [ -0.0019998300000000, 0.0066545700000000, -0.0041483100000000 ] - [ -0.0020651900000000, 0.0037708900000000, -0.0041220800000000 ] - [ -0.0041037500000000, -0.0013819600000000, -0.0027302400000000 ] - [ -0.0006703900000000, -0.0012108500000000, -0.0035707400000000 ] - [ -0.0020644600000000, -0.0013930600000000, -0.0041214500000000 ] - [ -0.0020603500000000, -0.0013352700000000, -0.0041220600000000 ] - [ -0.0000443100000000, -0.0013825400000000, -0.0055036500000000 ] - [ -0.0034536600000000, -0.0012165900000000, -0.0046692300000000 ] - [ 0.0032885200000000, 0.0035302100000000, 0.0054768600000000 ] - [ 0.0018744400000000, 0.0009159100000000, 0.0044007000000000 ] - [ 0.0026069900000000, -0.0023283000000000, 0.0050359100000000 ] - [ 0.0018014900000000, -0.0008305000000000, 0.0042479900000000 ] - [ 0.0015255400000000, -0.0023249200000000, 0.0032223400000000 ] - [ 0.0023211300000000, -0.0008315800000000, 0.0039984300000000 ] - [ 0.0007254400000000, 0.0033569400000000, 0.0026067800000000 ] - [ 0.0022611700000000, 0.0008972300000000, 0.0038457400000000 ] - [ -0.0033513200000000, 0.0013943000000000, -0.0007796900000000 ] - [ -0.0033506300000000, 0.0012324800000000, -0.0007728100000000 ] - [ -0.0037489900000000, -0.0003460800000000, -0.0003286900000000 ] - [ -0.0027746300000000, -0.0001564000000000, 0.0000117700000000 ] - [ -0.0033498800000000, -0.0007901100000000, -0.0007692200000000 ] - [ -0.0033472600000000, -0.0008934000000000, -0.0007682000000000 ] - [ -0.0029474100000000, -0.0003507700000000, -0.0012092800000000 ] - [ -0.0039244000000000, -0.0001623800000000, -0.0015527000000000 ] - [ 0.0046131500000000, 0.0068189600000000, 0.0014887100000000 ] - [ 0.0047040100000000, 0.0008762800000000, -0.0015177300000000 ] - [ 0.0023864600000000, -0.0023239200000000, -0.0015897000000000 ] - [ 0.0037440800000000, -0.0008468800000000, -0.0008059800000000 ] - [ 0.0042952200000000, -0.0023148000000000, 0.0000382100000000 ] - [ 0.0029571500000000, -0.0008496900000000, -0.0007344600000000 ] - [ 0.0023351200000000, 0.0065438700000000, -0.0027837800000000 ] - [ 0.0019985600000000, 0.0008741900000000, -0.0000222500000000 ] - [ -0.0033493600000000, 0.0019422400000000, 0.0007671000000000 ] - [ -0.0033489600000000, 0.0006914700000000, 0.0007692300000000 ] - [ -0.0035772200000000, -0.0004684600000000, 0.0014978100000000 ] - [ -0.0033114400000000, -0.0000000700000000, 0.0007219700000000 ] - [ -0.0033496800000000, -0.0010292700000000, 0.0007713000000000 ] - [ -0.0033476100000000, -0.0006806000000000, 0.0007685900000000 ] - [ -0.0031179900000000, -0.0004752200000000, 0.0000364100000000 ] - [ -0.0033853500000000, -0.0000032500000000, 0.0008158900000000 ] - [ 0.0017948100000000, 0.0089146500000000, 0.0024043300000000 ] - [ 0.0018983900000000, 0.0009082400000000, 0.0000006400000000 ] - [ 0.0044010000000000, -0.0023227400000000, -0.0000794700000000 ] - [ 0.0029809200000000, -0.0008675900000000, 0.0007324500000000 ] - [ 0.0023115300000000, -0.0023110400000000, 0.0016061300000000 ] - [ 0.0037140800000000, -0.0008701500000000, 0.0008052100000000 ] - [ 0.0046275200000000, 0.0086184700000000, -0.0006247800000000 ] - [ 0.0047985200000000, 0.0009030400000000, 0.0015409600000000 ] - [ 0.0067454200000000, -0.0000028600000000, -0.0018181400000000 ] - [ -0.0085573300000000, 0.0006224500000000, -0.0010118600000000 ] - [ 0.0009279900000000, 0.0013076000000000, 0.0008001000000000 ] - [ -0.0002010400000000, 0.0011855400000000, 0.0007959700000000 ] - [ -0.0001694600000000, 0.0013043500000000, 0.0010333700000000 ] - [ 0.0009451300000000, 0.0011867900000000, 0.0010353900000000 ] - [ -0.0059681600000000, 0.0000416800000000, 0.0036318700000000 ] - [ 0.0092630200000000, 0.0006374700000000, 0.0028310500000000 ] - [ 0.0002215600000000, 0.0009427400000000, 0.0096060300000000 ] - [ 0.0003282100000000, -0.0004826600000000, -0.0001634600000000 ] - [ 0.0004300200000000, 0.0012046900000000, -0.0002694500000000 ] - [ 0.0003221800000000, 0.0004819000000000, -0.0006710500000000 ] - [ 0.0003242000000000, 0.0012036600000000, -0.0015564700000000 ] - [ 0.0004295700000000, 0.0004836200000000, -0.0011617400000000 ] - [ 0.0005363000000000, 0.0009544100000000, -0.0113826100000000 ] - [ 0.0004230800000000, -0.0004820000000000, -0.0016703400000000 ] - [ -0.0003621300000000, -0.0068335000000000, -0.0008925500000000 ] - [ -0.0003892100000000, -0.0006789800000000, -0.0009063500000000 ] - [ -0.0011801600000000, 0.0019968000000000, -0.0024311900000000 ] - [ 0.0003818300000000, 0.0000063800000000, -0.0013016200000000 ] - [ -0.0003769600000000, 0.0015000000000000, -0.0009184600000000 ] - [ -0.0003763800000000, 0.0007176800000000, -0.0009173300000000 ] - [ 0.0004254700000000, 0.0020114300000000, 0.0005912700000000 ] - [ -0.0011284500000000, 0.0000131000000000, -0.0005346900000000 ] - [ -0.0003751900000000, -0.0012469300000000, 0.0009197000000000 ] - [ -0.0003763300000000, -0.0005903200000000, 0.0009189600000000 ] - [ 0.0000617700000000, 0.0001980300000000, 0.0010752000000000 ] - [ -0.0004598600000000, -0.0000177500000000, 0.0008525900000000 ] - [ -0.0003747300000000, 0.0008468200000000, 0.0009175300000000 ] - [ -0.0003761100000000, 0.0006179000000000, 0.0009162900000000 ] - [ -0.0008120400000000, 0.0002000000000000, 0.0007620600000000 ] - [ -0.0002922300000000, -0.0000163600000000, 0.0009830000000000 ] - [ -0.0020963700000000, -0.0770441200000000, -0.0053013800000000 ] - [ -0.0021952000000000, -0.0017031400000000, -0.0049823900000000 ] - [ -0.0023138400000000, 0.0190818300000000, -0.0049269000000000 ] - [ -0.0023827800000000, 0.0003089000000000, -0.0050273800000000 ] - [ -0.0021909400000000, 0.0028765200000000, -0.0049803400000000 ] - [ -0.0021907900000000, 0.0011031700000000, -0.0049798100000000 ] - [ -0.0020629800000000, 0.0188395600000000, -0.0050357900000000 ] - [ -0.0020008700000000, 0.0003152900000000, -0.0049326400000000 ] - [ 0.0047081500000000, -0.0004195100000000, 0.0003787400000000 ] - [ 0.0016308600000000, -0.0007910100000000, 0.0045019000000000 ] - [ 0.0024283500000000, 0.0012767800000000, 0.0044897600000000 ] - [ 0.0019575500000000, 0.0007910300000000, 0.0047340600000000 ] - [ 0.0019523900000000, 0.0012803300000000, 0.0054636700000000 ] - [ 0.0024218300000000, 0.0007919400000000, 0.0052213700000000 ] - [ -0.0003190900000000, -0.0003837100000000, 0.0095825100000000 ] - [ 0.0027495700000000, -0.0007882100000000, 0.0054584100000000 ] - [ -0.0022069500000000, -0.0053162600000000, 0.0049623800000000 ] - [ -0.0021781800000000, -0.0053150800000000, 0.0049713100000000 ] - [ -0.0003292800000000, 0.0015358900000000, 0.0063030000000000 ] - [ -0.0041001500000000, 0.0015394200000000, 0.0063927200000000 ] - [ -0.0021880600000000, 0.0015651800000000, 0.0049807600000000 ] - [ -0.0021932500000000, 0.0015640200000000, 0.0049811200000000 ] - [ -0.0040436500000000, 0.0015404900000000, 0.0036620100000000 ] - [ -0.0002932500000000, 0.0015371100000000, 0.0035755300000000 ] - [ 0.0018683300000000, -0.0009675200000000, -0.0050244200000000 ] - [ 0.0024745800000000, -0.0006096100000000, -0.0048765200000000 ] - [ 0.0019953200000000, 0.0009640800000000, -0.0049235200000000 ] - [ 0.0023570800000000, 0.0006057000000000, -0.0049128700000000 ] - [ 0.0023848800000000, 0.0009660500000000, -0.0050329500000000 ] - [ 0.0020280200000000, 0.0006080100000000, -0.0050444600000000 ] - [ 0.0025136500000000, -0.0009629100000000, -0.0049296300000000 ] - [ 0.0019043800000000, -0.0006047400000000, -0.0050785500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015955400000000, 0.0000000000000000, -0.0005762100000000 ] - [ -0.0027168600000000, 0.0000000000000000, 0.0033715100000000 ] - [ -0.0016925800000000, -0.0014168800000000, 0.0029201000000000 ] - [ -0.0022113400000000, -0.0001287300000000, 0.0037978100000000 ] - [ -0.0019656200000000, 0.0000000000000000, 0.0039266100000000 ] - [ -0.0020486300000000, 0.0000000000000000, 0.0039856200000000 ] - [ -0.0016925800000000, 0.0014168800000000, 0.0029201000000000 ] - [ -0.0022113400000000, 0.0001287300000000, 0.0037978100000000 ] - [ 0.0014041000000000, -0.0004463400000000, -0.0057571300000000 ] - [ 0.0023221900000000, -0.0002673300000000, -0.0050343800000000 ] - [ 0.0020128700000000, -0.0002156900000000, -0.0044852000000000 ] - [ 0.0021515400000000, -0.0001333200000000, -0.0044392500000000 ] - [ 0.0020128700000000, 0.0002156900000000, -0.0044852000000000 ] - [ 0.0021515400000000, 0.0001333200000000, -0.0044392500000000 ] - [ 0.0014041000000000, 0.0004463400000000, -0.0057571300000000 ] - [ 0.0023221900000000, 0.0002673300000000, -0.0050343800000000 ] - [ -0.0018252000000000, 0.0000000000000000, 0.0004595800000000 ] - [ -0.0042793600000000, 0.0000000000000000, -0.0028891300000000 ] - [ -0.0017914100000000, 0.0007084900000000, -0.0029747000000000 ] - [ -0.0027374000000000, 0.0007443500000000, -0.0034521300000000 ] - [ -0.0020566800000000, 0.0000000000000000, -0.0039150400000000 ] - [ -0.0021041300000000, 0.0000000000000000, -0.0039718400000000 ] - [ -0.0017914100000000, -0.0007084900000000, -0.0029747000000000 ] - [ -0.0027374000000000, -0.0007443500000000, -0.0034521300000000 ] - [ 0.0006294800000000, 0.0010745400000000, 0.0073641400000000 ] - [ 0.0027484100000000, 0.0007000600000000, 0.0042642700000000 ] - [ 0.0022829700000000, 0.0006226900000000, 0.0046331500000000 ] - [ 0.0021272300000000, 0.0001471200000000, 0.0042667300000000 ] - [ 0.0022829700000000, -0.0006226900000000, 0.0046331500000000 ] - [ 0.0021272300000000, -0.0001471200000000, 0.0042667300000000 ] - [ 0.0006294800000000, -0.0010745400000000, 0.0073641400000000 ] - [ 0.0027484100000000, -0.0007000600000000, 0.0042642700000000 ] - [ -0.0026236100000000, 0.0000000000000000, -0.0025761900000000 ] - [ -0.0044039500000000, 0.0000000000000000, -0.0027200800000000 ] - [ -0.0027880800000000, 0.0007259500000000, -0.0014970300000000 ] - [ -0.0035642500000000, 0.0002494200000000, -0.0015326100000000 ] - [ -0.0033191500000000, 0.0000000000000000, -0.0009550600000000 ] - [ -0.0032853100000000, 0.0000000000000000, -0.0009368500000000 ] - [ -0.0027880800000000, -0.0007259500000000, -0.0014970300000000 ] - [ -0.0035642500000000, -0.0002494200000000, -0.0015326100000000 ] - [ 0.0044457700000000, 0.0021624000000000, 0.0061774200000000 ] - [ 0.0044482500000000, -0.0003124600000000, -0.0002770100000000 ] - [ 0.0034171000000000, -0.0002999100000000, -0.0004530500000000 ] - [ 0.0034690300000000, -0.0001350900000000, -0.0004851200000000 ] - [ 0.0034171000000000, 0.0002999100000000, -0.0004530500000000 ] - [ 0.0034690300000000, 0.0001350900000000, -0.0004851200000000 ] - [ 0.0044457700000000, -0.0021624000000000, 0.0061774200000000 ] - [ 0.0044482500000000, 0.0003124600000000, -0.0002770100000000 ] - [ -0.0029588500000000, 0.0000000000000000, -0.0031058200000000 ] - [ -0.0034127400000000, 0.0000000000000000, 0.0002096100000000 ] - [ -0.0033682900000000, 0.0008003200000000, -0.0007071100000000 ] - [ -0.0033674400000000, 0.0001316300000000, 0.0004248200000000 ] - [ -0.0033848500000000, 0.0000000000000000, 0.0005243000000000 ] - [ -0.0033606800000000, 0.0000000000000000, 0.0006430500000000 ] - [ -0.0033682900000000, -0.0008003200000000, -0.0007071100000000 ] - [ -0.0033674400000000, -0.0001316300000000, 0.0004248200000000 ] - [ 0.0015517600000000, 0.0025481800000000, 0.0084470500000000 ] - [ 0.0024140800000000, -0.0000957400000000, 0.0016811700000000 ] - [ 0.0033596200000000, -0.0003169800000000, 0.0011452500000000 ] - [ 0.0031865800000000, -0.0001478800000000, 0.0010550000000000 ] - [ 0.0033596200000000, 0.0003169800000000, 0.0011452500000000 ] - [ 0.0031865800000000, 0.0001478800000000, 0.0010550000000000 ] - [ 0.0015517600000000, -0.0025481800000000, 0.0084470500000000 ] - [ 0.0024140800000000, 0.0000957400000000, 0.0016811700000000 ] - [ 0.0000332100000000, -0.0024026400000000, -0.0030636100000000 ] - [ 0.0020062100000000, -0.0013434000000000, -0.0040069800000000 ] - [ 0.0004264300000000, -0.0001005100000000, 0.0004904800000000 ] - [ 0.0002863000000000, -0.0001694300000000, 0.0003658700000000 ] - [ 0.0004264300000000, 0.0001005100000000, 0.0004904800000000 ] - [ 0.0002863000000000, 0.0001694300000000, 0.0003658700000000 ] - [ 0.0000332100000000, 0.0024026400000000, -0.0030636100000000 ] - [ 0.0020062100000000, 0.0013434000000000, -0.0040069800000000 ] - [ 0.0007264300000000, 0.0070316200000000, 0.0090301600000000 ] - [ 0.0003485800000000, 0.0001991800000000, -0.0006705000000000 ] - [ 0.0004904400000000, 0.0004832500000000, -0.0010202500000000 ] - [ 0.0004082300000000, 0.0001177700000000, -0.0009092100000000 ] - [ 0.0004904400000000, -0.0004832500000000, -0.0010202500000000 ] - [ 0.0004082300000000, -0.0001177700000000, -0.0009092100000000 ] - [ 0.0007264300000000, -0.0070316200000000, 0.0090301600000000 ] - [ 0.0003485800000000, -0.0001991800000000, -0.0006705000000000 ] - [ 0.0063005900000000, 0.0000000000000000, 0.0083070400000000 ] - [ -0.0018467500000000, 0.0000000000000000, 0.0000336900000000 ] - [ 0.0004368900000000, -0.0022018700000000, 0.0001728900000000 ] - [ -0.0004702900000000, -0.0003687200000000, -0.0008740600000000 ] - [ -0.0002823800000000, 0.0000000000000000, -0.0007669600000000 ] - [ -0.0003570600000000, 0.0000000000000000, -0.0008926800000000 ] - [ 0.0004368900000000, 0.0022018700000000, 0.0001728900000000 ] - [ -0.0004702900000000, 0.0003687200000000, -0.0008740600000000 ] - [ 0.0001946100000000, 0.0000000000000000, 0.0036912500000000 ] - [ -0.0000739900000000, 0.0000000000000000, 0.0019741000000000 ] - [ -0.0003371700000000, 0.0004113600000000, 0.0021246200000000 ] - [ -0.0003173800000000, 0.0001242600000000, 0.0014317300000000 ] - [ -0.0003857500000000, 0.0000000000000000, 0.0012343600000000 ] - [ -0.0003974800000000, 0.0000000000000000, 0.0010991100000000 ] - [ -0.0003371700000000, -0.0004113600000000, 0.0021246200000000 ] - [ -0.0003173800000000, -0.0001242600000000, 0.0014317300000000 ] - [ -0.0014287000000000, 0.0000000000000000, -0.0663769200000000 ] - [ -0.0023431500000000, 0.0000000000000000, -0.0062074300000000 ] - [ -0.0025906300000000, -0.0000916300000000, -0.0096835500000000 ] - [ -0.0021774400000000, 0.0000469700000000, -0.0055744400000000 ] - [ -0.0022701300000000, 0.0000000000000000, -0.0053715600000000 ] - [ -0.0021612900000000, 0.0000000000000000, -0.0051904100000000 ] - [ -0.0025906300000000, 0.0000916300000000, -0.0096835500000000 ] - [ -0.0021774400000000, -0.0000469700000000, -0.0055744400000000 ] - [ -0.0012838400000000, -0.0045728200000000, 0.0116786300000000 ] - [ 0.0028650400000000, -0.0004748000000000, 0.0053848900000000 ] - [ 0.0020526700000000, -0.0004854600000000, 0.0050195700000000 ] - [ 0.0022859100000000, -0.0002425800000000, 0.0050518600000000 ] - [ 0.0020526700000000, 0.0004854600000000, 0.0050195700000000 ] - [ 0.0022859100000000, 0.0002425800000000, 0.0050518600000000 ] - [ -0.0012838400000000, 0.0045728200000000, 0.0116786300000000 ] - [ 0.0028650400000000, 0.0004748000000000, 0.0053848900000000 ] - [ 0.0047663900000000, 0.0000000000000000, 0.0085384100000000 ] - [ -0.0094969500000000, 0.0000000000000000, 0.0085368500000000 ] - [ -0.0010363300000000, 0.0014082800000000, 0.0054567700000000 ] - [ -0.0032760800000000, 0.0013184900000000, 0.0054562700000000 ] - [ -0.0020852000000000, 0.0000000000000000, 0.0049750700000000 ] - [ -0.0023156100000000, 0.0000000000000000, 0.0049750500000000 ] - [ -0.0010363300000000, -0.0014082800000000, 0.0054567700000000 ] - [ -0.0032760800000000, -0.0013184900000000, 0.0054562700000000 ] - [ 0.0019560300000000, 0.0000547500000000, -0.0027513800000000 ] - [ 0.0021459100000000, -0.0001000500000000, -0.0040698200000000 ] - [ 0.0021435300000000, -0.0000530400000000, -0.0044697900000000 ] - [ 0.0021891700000000, -0.0000653400000000, -0.0046689000000000 ] - [ 0.0021435300000000, 0.0000530400000000, -0.0044697900000000 ] - [ 0.0021891700000000, 0.0000653400000000, -0.0046689000000000 ] - [ 0.0019560300000000, -0.0000547500000000, -0.0027513800000000 ] - [ 0.0021459100000000, 0.0001000500000000, -0.0040698200000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0025124800000000, 0.0000000000000000, 0.0087877200000000 ] - [ -0.0014092400000000, 0.0000000000000000, 0.0048746600000000 ] - [ -0.0024272200000000, 0.0014091800000000, 0.0053324300000000 ] - [ -0.0019090300000000, 0.0001261400000000, 0.0044515700000000 ] - [ -0.0021570500000000, 0.0000000000000000, 0.0043207700000000 ] - [ -0.0020745600000000, 0.0000000000000000, 0.0042614200000000 ] - [ -0.0024272200000000, -0.0014091800000000, 0.0053324300000000 ] - [ -0.0019090300000000, -0.0001261400000000, 0.0044515700000000 ] - [ 0.0027108500000000, 0.0004361500000000, -0.0024768300000000 ] - [ 0.0018043700000000, 0.0002623300000000, -0.0032044000000000 ] - [ 0.0021077400000000, 0.0002132500000000, -0.0037559400000000 ] - [ 0.0019708900000000, 0.0001346800000000, -0.0038006900000000 ] - [ 0.0021077400000000, -0.0002132500000000, -0.0037559400000000 ] - [ 0.0019708900000000, -0.0001346800000000, -0.0038006900000000 ] - [ 0.0027108500000000, -0.0004361500000000, -0.0024768300000000 ] - [ 0.0018043700000000, -0.0002623300000000, -0.0032044000000000 ] - [ -0.0021435900000000, 0.0000000000000000, -0.0087890100000000 ] - [ 0.0001670600000000, 0.0000000000000000, -0.0053740300000000 ] - [ -0.0023314200000000, -0.0007128100000000, -0.0052820300000000 ] - [ -0.0013877100000000, -0.0007441500000000, -0.0047979800000000 ] - [ -0.0020670600000000, 0.0000000000000000, -0.0043330900000000 ] - [ -0.0020188600000000, 0.0000000000000000, -0.0042743400000000 ] - [ -0.0023314200000000, 0.0007128100000000, -0.0052820300000000 ] - [ -0.0013877100000000, 0.0007441500000000, -0.0047979800000000 ] - [ 0.0034139800000000, -0.0009566400000000, 0.0007437600000000 ] - [ 0.0013747400000000, -0.0007006200000000, 0.0039754900000000 ] - [ 0.0018387000000000, -0.0006227600000000, 0.0036050400000000 ] - [ 0.0019956100000000, -0.0001484300000000, 0.0039759400000000 ] - [ 0.0018387000000000, 0.0006227600000000, 0.0036050400000000 ] - [ 0.0019956100000000, 0.0001484300000000, 0.0039759400000000 ] - [ 0.0034139800000000, 0.0009566400000000, 0.0007437600000000 ] - [ 0.0013747400000000, 0.0007006200000000, 0.0039754900000000 ] - [ -0.0040868500000000, 0.0000000000000000, 0.0010437500000000 ] - [ -0.0022768500000000, 0.0000000000000000, 0.0011940300000000 ] - [ -0.0039194000000000, -0.0007377300000000, -0.0000382700000000 ] - [ -0.0031299000000000, -0.0002535800000000, -0.0000075500000000 ] - [ -0.0033798600000000, 0.0000000000000000, -0.0005844100000000 ] - [ -0.0034111300000000, 0.0000000000000000, -0.0006016400000000 ] - [ -0.0039194000000000, 0.0007377300000000, -0.0000382700000000 ] - [ -0.0031299000000000, 0.0002535800000000, -0.0000075500000000 ] - [ 0.0024060400000000, -0.0019574700000000, -0.0075807100000000 ] - [ 0.0022437400000000, 0.0003085900000000, -0.0012583200000000 ] - [ 0.0032812300000000, 0.0003044500000000, -0.0010840400000000 ] - [ 0.0032269700000000, 0.0001363700000000, -0.0010551600000000 ] - [ 0.0032812300000000, -0.0003044500000000, -0.0010840400000000 ] - [ 0.0032269700000000, -0.0001363700000000, -0.0010551600000000 ] - [ 0.0024060400000000, 0.0019574700000000, -0.0075807100000000 ] - [ 0.0022437400000000, -0.0003085900000000, -0.0012583200000000 ] - [ -0.0037373300000000, 0.0000000000000000, 0.0046682800000000 ] - [ -0.0032865400000000, 0.0000000000000000, 0.0013295100000000 ] - [ -0.0033262700000000, -0.0008120900000000, 0.0022506200000000 ] - [ -0.0033310800000000, -0.0001340100000000, 0.0011141000000000 ] - [ -0.0033137000000000, 0.0000000000000000, 0.0010151400000000 ] - [ -0.0033357200000000, 0.0000000000000000, 0.0008938200000000 ] - [ -0.0033262700000000, 0.0008120900000000, 0.0022506200000000 ] - [ -0.0033310800000000, 0.0001340100000000, 0.0011141000000000 ] - [ 0.0049847600000000, -0.0023520300000000, -0.0067954300000000 ] - [ 0.0042882800000000, 0.0000920500000000, -0.0001421800000000 ] - [ 0.0033362200000000, 0.0003224700000000, 0.0003951100000000 ] - [ 0.0035127500000000, 0.0001489100000000, 0.0004822100000000 ] - [ 0.0033362200000000, -0.0003224700000000, 0.0003951100000000 ] - [ 0.0035127500000000, -0.0001489100000000, 0.0004822100000000 ] - [ 0.0049847600000000, 0.0023520300000000, -0.0067954300000000 ] - [ 0.0042882800000000, -0.0000920500000000, -0.0001421800000000 ] - [ 0.0006864400000000, 0.0023927800000000, 0.0049215000000000 ] - [ -0.0012242300000000, 0.0013293400000000, 0.0058804000000000 ] - [ 0.0003245300000000, 0.0001016400000000, 0.0013459100000000 ] - [ 0.0004663700000000, 0.0001678300000000, 0.0014709000000000 ] - [ 0.0003245300000000, -0.0001016400000000, 0.0013459100000000 ] - [ 0.0004663700000000, -0.0001678300000000, 0.0014709000000000 ] - [ 0.0006864400000000, -0.0023927800000000, 0.0049215000000000 ] - [ -0.0012242300000000, -0.0013293400000000, 0.0058804000000000 ] - [ 0.0000351100000000, -0.0069036600000000, -0.0107683300000000 ] - [ 0.0004040100000000, -0.0001969100000000, -0.0011678700000000 ] - [ 0.0002628000000000, -0.0004818000000000, -0.0008174900000000 ] - [ 0.0003439400000000, -0.0001181800000000, -0.0009261800000000 ] - [ 0.0002628000000000, 0.0004818000000000, -0.0008174900000000 ] - [ 0.0003439400000000, 0.0001181800000000, -0.0009261800000000 ] - [ 0.0000351100000000, 0.0069036600000000, -0.0107683300000000 ] - [ 0.0004040100000000, 0.0001969100000000, -0.0011678700000000 ] - [ -0.0071803300000000, 0.0000000000000000, -0.0102675900000000 ] - [ 0.0011012800000000, 0.0000000000000000, -0.0018609500000000 ] - [ -0.0011966200000000, 0.0022127500000000, -0.0020038200000000 ] - [ -0.0002801500000000, 0.0003709400000000, -0.0009550000000000 ] - [ -0.0004694700000000, 0.0000000000000000, -0.0010648900000000 ] - [ -0.0003984700000000, 0.0000000000000000, -0.0009394600000000 ] - [ -0.0011966200000000, -0.0022127500000000, -0.0020038200000000 ] - [ -0.0002801500000000, -0.0003709400000000, -0.0009550000000000 ] - [ -0.0009322800000000, 0.0000000000000000, -0.0018634700000000 ] - [ -0.0006826500000000, 0.0000000000000000, -0.0001446100000000 ] - [ -0.0004137700000000, -0.0004051000000000, -0.0002957000000000 ] - [ -0.0004354600000000, -0.0001215400000000, 0.0003985800000000 ] - [ -0.0003648100000000, 0.0000000000000000, 0.0005986800000000 ] - [ -0.0003538900000000, 0.0000000000000000, 0.0007313300000000 ] - [ -0.0004137700000000, 0.0004051000000000, -0.0002957000000000 ] - [ -0.0004354600000000, 0.0001215400000000, 0.0003985800000000 ] - [ -0.0029080100000000, 0.0000000000000000, 0.0561908000000000 ] - [ -0.0020399800000000, 0.0000000000000000, -0.0037533100000000 ] - [ -0.0017861300000000, 0.0000168400000000, -0.0002598500000000 ] - [ -0.0022033100000000, -0.0000483700000000, -0.0043869700000000 ] - [ -0.0021123800000000, 0.0000000000000000, -0.0045891600000000 ] - [ -0.0022189200000000, 0.0000000000000000, -0.0047725400000000 ] - [ -0.0017861300000000, -0.0000168400000000, -0.0002598500000000 ] - [ -0.0022033100000000, 0.0000483700000000, -0.0043869700000000 ] - [ 0.0057135200000000, 0.0046313700000000, -0.0017749200000000 ] - [ 0.0015107500000000, 0.0004816200000000, 0.0045832700000000 ] - [ 0.0023271500000000, 0.0004892000000000, 0.0049472700000000 ] - [ 0.0020944200000000, 0.0002455500000000, 0.0049126000000000 ] - [ 0.0023271500000000, -0.0004892000000000, 0.0049472700000000 ] - [ 0.0020944200000000, -0.0002455500000000, 0.0049126000000000 ] - [ 0.0057135200000000, -0.0046313700000000, -0.0017749200000000 ] - [ 0.0015107500000000, -0.0004816200000000, 0.0045832700000000 ] - [ -0.0091109900000000, 0.0000000000000000, 0.0014210900000000 ] - [ 0.0050717300000000, 0.0000000000000000, 0.0014200000000000 ] - [ -0.0033479500000000, -0.0014105500000000, 0.0045003100000000 ] - [ -0.0011023300000000, -0.0013210800000000, 0.0045001600000000 ] - [ -0.0022961000000000, 0.0000000000000000, 0.0049865700000000 ] - [ -0.0020647200000000, 0.0000000000000000, 0.0049866600000000 ] - [ -0.0033479500000000, 0.0014105500000000, 0.0045003100000000 ] - [ -0.0011023300000000, 0.0013210800000000, 0.0045001600000000 ] - [ 0.0024167600000000, -0.0000402500000000, -0.0072166100000000 ] - [ 0.0022391600000000, 0.0001029500000000, -0.0058977900000000 ] - [ 0.0022364600000000, 0.0000571400000000, -0.0054958700000000 ] - [ 0.0021955500000000, 0.0000673300000000, -0.0052971000000000 ] - [ 0.0022364600000000, -0.0000571400000000, -0.0054958700000000 ] - [ 0.0021955500000000, -0.0000673300000000, -0.0052971000000000 ] - [ 0.0024167600000000, 0.0000402500000000, -0.0072166100000000 ] - [ 0.0022391600000000, -0.0001029500000000, -0.0058977900000000 ]