# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/41b0b24d-ccd2-4128-9d3c-8a58cc36d884/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 Tb2Se3 / I-42d (122) / materials id 685003](https://mdr.nims.go.jp/datasets/35043e66-1e1b-45e7-b4a0-ba7418391d65) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "I-42d" number: 122 Hall_symbol: "I -4 2bw"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -4.280723450000000, 4.280723450000000, 12.860669339999999 ] # a - [ 4.280723450000000, -4.280723450000000, 12.860669339999999 ] # b - [ 4.280723450000000, 4.280723450000000, -12.860669339999999 ] # c points: - symbol: Tb # 1 coordinates: [ 0.202730840000000, 0.328236300000000, 0.610647180000000 ] mass: 158.925350 - symbol: Tb # 2 coordinates: [ 0.416910130000000, 0.916910130000000, 0.500000000000000 ] mass: 158.925350 - symbol: Tb # 3 coordinates: [ 0.992122270000000, 0.625000000000000, 0.867122270000000 ] mass: 158.925350 - symbol: Tb # 4 coordinates: [ 0.333089870000000, 0.333089870000000, 0.000000000000000 ] mass: 158.925350 - symbol: Tb # 5 coordinates: [ 0.032410880000000, 0.921763700000000, 0.374494540000000 ] mass: 158.925350 - symbol: Tb # 6 coordinates: [ 0.757877730000000, 0.125000000000000, 0.132877730000000 ] mass: 158.925350 - symbol: Tb # 7 coordinates: [ 0.547269160000000, 0.657916340000000, 0.625505460000000 ] mass: 158.925350 - symbol: Tb # 8 coordinates: [ 0.342083660000000, 0.967589120000000, 0.889352820000000 ] mass: 158.925350 - symbol: Tb # 9 coordinates: [ 0.666910130000000, 0.666910130000000, 0.000000000000000 ] mass: 158.925350 - symbol: Tb # 10 coordinates: [ 0.375000000000000, 0.242122270000000, 0.367122270000000 ] mass: 158.925350 - symbol: Tb # 11 coordinates: [ 0.078236300000000, 0.452730840000000, 0.110647180000000 ] mass: 158.925350 - symbol: Tb # 12 coordinates: [ 0.875000000000000, 0.007877730000000, 0.632877730000000 ] mass: 158.925350 - symbol: Tb # 13 coordinates: [ 0.083089870000000, 0.583089870000000, 0.500000000000000 ] mass: 158.925350 - symbol: Tb # 14 coordinates: [ 0.671763700000000, 0.282410880000000, 0.874494540000000 ] mass: 158.925350 - symbol: Tb # 15 coordinates: [ 0.717589120000000, 0.592083660000000, 0.389352820000000 ] mass: 158.925350 - symbol: Tb # 16 coordinates: [ 0.407916340000000, 0.797269160000000, 0.125505460000000 ] mass: 158.925350 - symbol: Se # 17 coordinates: [ 0.716371240000000, 0.823703080000000, 0.747423000000000 ] mass: 78.960000 - symbol: Se # 18 coordinates: [ 0.361546810000000, 0.608560630000000, 0.103668420000000 ] mass: 78.960000 - symbol: Se # 19 coordinates: [ 0.504892210000000, 0.257878390000000, 0.896331580000000 ] mass: 78.960000 - symbol: Se # 20 coordinates: [ 0.245107790000000, 0.641439370000000, 0.252986180000000 ] mass: 78.960000 - symbol: Se # 21 coordinates: [ 0.388453190000000, 0.992121610000000, 0.747013820000000 ] mass: 78.960000 - symbol: Se # 22 coordinates: [ 0.076280080000000, 0.968948240000000, 0.252577000000000 ] mass: 78.960000 - symbol: Se # 23 coordinates: [ 0.033628760000000, 0.281051760000000, 0.607331840000000 ] mass: 78.960000 - symbol: Se # 24 coordinates: [ 0.058102850000000, 0.154811060000000, 0.744805430000000 ] mass: 78.960000 - symbol: Se # 25 coordinates: [ 0.686702580000000, 0.941897150000000, 0.096708210000000 ] mass: 78.960000 - symbol: Se # 26 coordinates: [ 0.673719920000000, 0.426296920000000, 0.392668160000000 ] mass: 78.960000 - symbol: Se # 27 coordinates: [ 0.573703080000000, 0.966371240000000, 0.247423000000000 ] mass: 78.960000 - symbol: Se # 28 coordinates: [ 0.845188940000000, 0.589994370000000, 0.903291790000000 ] mass: 78.960000 - symbol: Se # 29 coordinates: [ 0.718948240000000, 0.326280080000000, 0.752577000000000 ] mass: 78.960000 - symbol: Se # 30 coordinates: [ 0.410005630000000, 0.313297420000000, 0.255194570000000 ] mass: 78.960000 - symbol: Se # 31 coordinates: [ 0.358560630000000, 0.611546810000000, 0.603668420000000 ] mass: 78.960000 - symbol: Se # 32 coordinates: [ 0.391439370000000, 0.495107790000000, 0.752986180000000 ] mass: 78.960000 - symbol: Se # 33 coordinates: [ 0.031051760000000, 0.283628760000000, 0.107331840000000 ] mass: 78.960000 - symbol: Se # 34 coordinates: [ 0.007878390000000, 0.754892210000000, 0.396331580000000 ] mass: 78.960000 - symbol: Se # 35 coordinates: [ 0.176296920000000, 0.923719920000000, 0.892668160000000 ] mass: 78.960000 - symbol: Se # 36 coordinates: [ 0.904811060000000, 0.308102850000000, 0.244805430000000 ] mass: 78.960000 - symbol: Se # 37 coordinates: [ 0.063297420000000, 0.660005630000000, 0.755194570000000 ] mass: 78.960000 - symbol: Se # 38 coordinates: [ 0.742121610000000, 0.638453190000000, 0.247013820000000 ] mass: 78.960000 - symbol: Se # 39 coordinates: [ 0.691897150000000, 0.936702580000000, 0.596708210000000 ] mass: 78.960000 - symbol: Se # 40 coordinates: [ 0.339994370000000, 0.095188940000000, 0.403291790000000 ] mass: 78.960000 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.116802686704744, 0.038878225291499 ] # a* - [ 0.116802686704744, 0.000000000000000, 0.038878225291499 ] # b* - [ 0.116802686704744, 0.116802686704744, 0.000000000000000 ] # c*unit_cell: lattice: - [ 8.561446900000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.561446900000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 25.721338679999999 ] # c points: - symbol: Tb # 1 coordinates: [ 0.868076320000000, 0.742570860000000, 0.460159980000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 2 coordinates: [ 0.000000000000000, 0.500000000000000, 0.916910130000000 ] mass: 158.925350 reduced_to: 2 - symbol: Tb # 3 coordinates: [ 0.750000000000000, 0.117122270000000, 0.875000000000000 ] mass: 158.925350 reduced_to: 3 - symbol: Tb # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.833089870000000 ] mass: 158.925350 reduced_to: 4 - symbol: Tb # 5 coordinates: [ 0.131923680000000, 0.242570860000000, 0.789840020000000 ] mass: 158.925350 reduced_to: 5 - symbol: Tb # 6 coordinates: [ 0.250000000000000, 0.882877730000000, 0.875000000000000 ] mass: 158.925350 reduced_to: 6 - symbol: Tb # 7 coordinates: [ 0.868076320000000, 0.757429140000000, 0.789840020000000 ] mass: 158.925350 reduced_to: 7 - symbol: Tb # 8 coordinates: [ 0.257429140000000, 0.631923680000000, 0.710159980000000 ] mass: 158.925350 reduced_to: 8 - symbol: Tb # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.666910130000000 ] mass: 158.925350 reduced_to: 9 - symbol: Tb # 10 coordinates: [ 0.617122270000000, 0.750000000000000, 0.625000000000000 ] mass: 158.925350 reduced_to: 10 - symbol: Tb # 11 coordinates: [ 0.742570860000000, 0.368076320000000, 0.710159980000000 ] mass: 158.925350 reduced_to: 11 - symbol: Tb # 12 coordinates: [ 0.382877730000000, 0.250000000000000, 0.625000000000000 ] mass: 158.925350 reduced_to: 12 - symbol: Tb # 13 coordinates: [ 0.000000000000000, 0.500000000000000, 0.583089870000000 ] mass: 158.925350 reduced_to: 13 - symbol: Tb # 14 coordinates: [ 0.742570860000000, 0.131923680000000, 0.539840020000000 ] mass: 158.925350 reduced_to: 14 - symbol: Tb # 15 coordinates: [ 0.131923680000000, 0.257429140000000, 0.460159980000000 ] mass: 158.925350 reduced_to: 15 - symbol: Tb # 16 coordinates: [ 0.257429140000000, 0.868076320000000, 0.539840020000000 ] mass: 158.925350 reduced_to: 16 - symbol: Tb # 17 coordinates: [ 0.368076320000000, 0.242570860000000, 0.960159980000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.416910130000000 ] mass: 158.925350 reduced_to: 2 - symbol: Tb # 19 coordinates: [ 0.250000000000000, 0.617122270000000, 0.375000000000000 ] mass: 158.925350 reduced_to: 3 - symbol: Tb # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.333089870000000 ] mass: 158.925350 reduced_to: 4 - symbol: Tb # 21 coordinates: [ 0.631923680000000, 0.742570860000000, 0.289840020000000 ] mass: 158.925350 reduced_to: 5 - symbol: Tb # 22 coordinates: [ 0.750000000000000, 0.382877730000000, 0.375000000000000 ] mass: 158.925350 reduced_to: 6 - symbol: Tb # 23 coordinates: [ 0.368076320000000, 0.257429140000000, 0.289840020000000 ] mass: 158.925350 reduced_to: 7 - symbol: Tb # 24 coordinates: [ 0.757429140000000, 0.131923680000000, 0.210159980000000 ] mass: 158.925350 reduced_to: 8 - symbol: Tb # 25 coordinates: [ 0.500000000000000, 0.500000000000000, 0.166910130000000 ] mass: 158.925350 reduced_to: 9 - symbol: Tb # 26 coordinates: [ 0.117122270000000, 0.250000000000000, 0.125000000000000 ] mass: 158.925350 reduced_to: 10 - symbol: Tb # 27 coordinates: [ 0.242570860000000, 0.868076320000000, 0.210159980000000 ] mass: 158.925350 reduced_to: 11 - symbol: Tb # 28 coordinates: [ 0.882877730000000, 0.750000000000000, 0.125000000000000 ] mass: 158.925350 reduced_to: 12 - symbol: Tb # 29 coordinates: [ 0.500000000000000, 0.000000000000000, 0.083089870000000 ] mass: 158.925350 reduced_to: 13 - symbol: Tb # 30 coordinates: [ 0.242570860000000, 0.631923680000000, 0.039840020000000 ] mass: 158.925350 reduced_to: 14 - symbol: Tb # 31 coordinates: [ 0.631923680000000, 0.757429140000000, 0.960159980000000 ] mass: 158.925350 reduced_to: 15 - symbol: Tb # 32 coordinates: [ 0.757429140000000, 0.368076320000000, 0.039840020000000 ] mass: 158.925350 reduced_to: 16 - symbol: Se # 33 coordinates: [ 0.927377420000000, 0.820045580000000, 0.896325660000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.675341120000000, 0.428327300000000, 0.933219510000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 35 coordinates: [ 0.324658880000000, 0.571672700000000, 0.933219510000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 36 coordinates: [ 0.824658880000000, 0.428327300000000, 0.816780490000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 37 coordinates: [ 0.175341120000000, 0.571672700000000, 0.816780490000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.072622580000000, 0.179954420000000, 0.896325660000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 39 coordinates: [ 0.427377420000000, 0.179954420000000, 0.853674340000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 40 coordinates: [ 0.420756820000000, 0.324048610000000, 0.734054240000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 41 coordinates: [ 0.175951390000000, 0.920756820000000, 0.765945760000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.572622580000000, 0.820045580000000, 0.853674340000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 43 coordinates: [ 0.320045580000000, 0.927377420000000, 0.646325660000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.824048610000000, 0.079243180000000, 0.765945760000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 45 coordinates: [ 0.679954420000000, 0.072622580000000, 0.646325660000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.579243180000000, 0.675951390000000, 0.734054240000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.928327300000000, 0.675341120000000, 0.683219510000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 48 coordinates: [ 0.928327300000000, 0.824658880000000, 0.566780490000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 49 coordinates: [ 0.679954420000000, 0.427377420000000, 0.603674340000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.071672700000000, 0.324658880000000, 0.683219510000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 51 coordinates: [ 0.320045580000000, 0.572622580000000, 0.603674340000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 52 coordinates: [ 0.824048610000000, 0.420756820000000, 0.484054240000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 53 coordinates: [ 0.175951390000000, 0.579243180000000, 0.484054240000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 54 coordinates: [ 0.071672700000000, 0.175341120000000, 0.566780490000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 55 coordinates: [ 0.420756820000000, 0.175951390000000, 0.515945760000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 56 coordinates: [ 0.579243180000000, 0.824048610000000, 0.515945760000000 ] mass: 78.960000 reduced_to: 56 - symbol: Se # 57 coordinates: [ 0.427377420000000, 0.320045580000000, 0.396325660000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 58 coordinates: [ 0.175341120000000, 0.928327300000000, 0.433219510000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 59 coordinates: [ 0.824658880000000, 0.071672700000000, 0.433219510000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 60 coordinates: [ 0.324658880000000, 0.928327300000000, 0.316780490000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 61 coordinates: [ 0.675341120000000, 0.071672700000000, 0.316780490000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 62 coordinates: [ 0.572622580000000, 0.679954420000000, 0.396325660000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 63 coordinates: [ 0.927377420000000, 0.679954420000000, 0.353674340000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 64 coordinates: [ 0.920756820000000, 0.824048610000000, 0.234054240000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 65 coordinates: [ 0.675951390000000, 0.420756820000000, 0.265945760000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 66 coordinates: [ 0.072622580000000, 0.320045580000000, 0.353674340000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 67 coordinates: [ 0.820045580000000, 0.427377420000000, 0.146325660000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 68 coordinates: [ 0.324048610000000, 0.579243180000000, 0.265945760000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 69 coordinates: [ 0.179954420000000, 0.572622580000000, 0.146325660000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 70 coordinates: [ 0.079243180000000, 0.175951390000000, 0.234054240000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 71 coordinates: [ 0.428327300000000, 0.175341120000000, 0.183219510000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 72 coordinates: [ 0.428327300000000, 0.324658880000000, 0.066780490000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 73 coordinates: [ 0.179954420000000, 0.927377420000000, 0.103674340000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 74 coordinates: [ 0.571672700000000, 0.824658880000000, 0.183219510000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 75 coordinates: [ 0.820045580000000, 0.072622580000000, 0.103674340000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 76 coordinates: [ 0.324048610000000, 0.920756820000000, 0.984054240000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 77 coordinates: [ 0.675951390000000, 0.079243180000000, 0.984054240000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 78 coordinates: [ 0.571672700000000, 0.675341120000000, 0.066780490000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 79 coordinates: [ 0.920756820000000, 0.675951390000000, 0.015945760000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 80 coordinates: [ 0.079243180000000, 0.324048610000000, 0.015945760000000 ] mass: 78.960000 reduced_to: 56supercell: lattice: - [ 8.561446900000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.561446900000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 25.721338679999999 ] # c points: - symbol: Tb # 1 coordinates: [ 0.868076320000000, 0.742570860000000, 0.460159980000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 2 coordinates: [ 0.000000000000000, 0.500000000000000, 0.916910130000000 ] mass: 158.925350 reduced_to: 2 - symbol: Tb # 3 coordinates: [ 0.750000000000000, 0.117122270000000, 0.875000000000000 ] mass: 158.925350 reduced_to: 3 - symbol: Tb # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.833089870000000 ] mass: 158.925350 reduced_to: 4 - symbol: Tb # 5 coordinates: [ 0.131923680000000, 0.242570860000000, 0.789840020000000 ] mass: 158.925350 reduced_to: 5 - symbol: Tb # 6 coordinates: [ 0.250000000000000, 0.882877730000000, 0.875000000000000 ] mass: 158.925350 reduced_to: 6 - symbol: Tb # 7 coordinates: [ 0.868076320000000, 0.757429140000000, 0.789840020000000 ] mass: 158.925350 reduced_to: 7 - symbol: Tb # 8 coordinates: [ 0.257429140000000, 0.631923680000000, 0.710159980000000 ] mass: 158.925350 reduced_to: 8 - symbol: Tb # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.666910130000000 ] mass: 158.925350 reduced_to: 9 - symbol: Tb # 10 coordinates: [ 0.617122270000000, 0.750000000000000, 0.625000000000000 ] mass: 158.925350 reduced_to: 10 - symbol: Tb # 11 coordinates: [ 0.742570860000000, 0.368076320000000, 0.710159980000000 ] mass: 158.925350 reduced_to: 11 - symbol: Tb # 12 coordinates: [ 0.382877730000000, 0.250000000000000, 0.625000000000000 ] mass: 158.925350 reduced_to: 12 - symbol: Tb # 13 coordinates: [ 0.000000000000000, 0.500000000000000, 0.583089870000000 ] mass: 158.925350 reduced_to: 13 - symbol: Tb # 14 coordinates: [ 0.742570860000000, 0.131923680000000, 0.539840020000000 ] mass: 158.925350 reduced_to: 14 - symbol: Tb # 15 coordinates: [ 0.131923680000000, 0.257429140000000, 0.460159980000000 ] mass: 158.925350 reduced_to: 15 - symbol: Tb # 16 coordinates: [ 0.257429140000000, 0.868076320000000, 0.539840020000000 ] mass: 158.925350 reduced_to: 16 - symbol: Tb # 17 coordinates: [ 0.368076320000000, 0.242570860000000, 0.960159980000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.416910130000000 ] mass: 158.925350 reduced_to: 2 - symbol: Tb # 19 coordinates: [ 0.250000000000000, 0.617122270000000, 0.375000000000000 ] mass: 158.925350 reduced_to: 3 - symbol: Tb # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.333089870000000 ] mass: 158.925350 reduced_to: 4 - symbol: Tb # 21 coordinates: [ 0.631923680000000, 0.742570860000000, 0.289840020000000 ] mass: 158.925350 reduced_to: 5 - symbol: Tb # 22 coordinates: [ 0.750000000000000, 0.382877730000000, 0.375000000000000 ] mass: 158.925350 reduced_to: 6 - symbol: Tb # 23 coordinates: [ 0.368076320000000, 0.257429140000000, 0.289840020000000 ] mass: 158.925350 reduced_to: 7 - symbol: Tb # 24 coordinates: [ 0.757429140000000, 0.131923680000000, 0.210159980000000 ] mass: 158.925350 reduced_to: 8 - symbol: Tb # 25 coordinates: [ 0.500000000000000, 0.500000000000000, 0.166910130000000 ] mass: 158.925350 reduced_to: 9 - symbol: Tb # 26 coordinates: [ 0.117122270000000, 0.250000000000000, 0.125000000000000 ] mass: 158.925350 reduced_to: 10 - symbol: Tb # 27 coordinates: [ 0.242570860000000, 0.868076320000000, 0.210159980000000 ] mass: 158.925350 reduced_to: 11 - symbol: Tb # 28 coordinates: [ 0.882877730000000, 0.750000000000000, 0.125000000000000 ] mass: 158.925350 reduced_to: 12 - symbol: Tb # 29 coordinates: [ 0.500000000000000, 0.000000000000000, 0.083089870000000 ] mass: 158.925350 reduced_to: 13 - symbol: Tb # 30 coordinates: [ 0.242570860000000, 0.631923680000000, 0.039840020000000 ] mass: 158.925350 reduced_to: 14 - symbol: Tb # 31 coordinates: [ 0.631923680000000, 0.757429140000000, 0.960159980000000 ] mass: 158.925350 reduced_to: 15 - symbol: Tb # 32 coordinates: [ 0.757429140000000, 0.368076320000000, 0.039840020000000 ] mass: 158.925350 reduced_to: 16 - symbol: Se # 33 coordinates: [ 0.927377420000000, 0.820045580000000, 0.896325660000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.675341120000000, 0.428327300000000, 0.933219510000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 35 coordinates: [ 0.324658880000000, 0.571672700000000, 0.933219510000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 36 coordinates: [ 0.824658880000000, 0.428327300000000, 0.816780490000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 37 coordinates: [ 0.175341120000000, 0.571672700000000, 0.816780490000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.072622580000000, 0.179954420000000, 0.896325660000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 39 coordinates: [ 0.427377420000000, 0.179954420000000, 0.853674340000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 40 coordinates: [ 0.420756820000000, 0.324048610000000, 0.734054240000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 41 coordinates: [ 0.175951390000000, 0.920756820000000, 0.765945760000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.572622580000000, 0.820045580000000, 0.853674340000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 43 coordinates: [ 0.320045580000000, 0.927377420000000, 0.646325660000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.824048610000000, 0.079243180000000, 0.765945760000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 45 coordinates: [ 0.679954420000000, 0.072622580000000, 0.646325660000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.579243180000000, 0.675951390000000, 0.734054240000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.928327300000000, 0.675341120000000, 0.683219510000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 48 coordinates: [ 0.928327300000000, 0.824658880000000, 0.566780490000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 49 coordinates: [ 0.679954420000000, 0.427377420000000, 0.603674340000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.071672700000000, 0.324658880000000, 0.683219510000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 51 coordinates: [ 0.320045580000000, 0.572622580000000, 0.603674340000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 52 coordinates: [ 0.824048610000000, 0.420756820000000, 0.484054240000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 53 coordinates: [ 0.175951390000000, 0.579243180000000, 0.484054240000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 54 coordinates: [ 0.071672700000000, 0.175341120000000, 0.566780490000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 55 coordinates: [ 0.420756820000000, 0.175951390000000, 0.515945760000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 56 coordinates: [ 0.579243180000000, 0.824048610000000, 0.515945760000000 ] mass: 78.960000 reduced_to: 56 - symbol: Se # 57 coordinates: [ 0.427377420000000, 0.320045580000000, 0.396325660000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 58 coordinates: [ 0.175341120000000, 0.928327300000000, 0.433219510000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 59 coordinates: [ 0.824658880000000, 0.071672700000000, 0.433219510000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 60 coordinates: [ 0.324658880000000, 0.928327300000000, 0.316780490000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 61 coordinates: [ 0.675341120000000, 0.071672700000000, 0.316780490000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 62 coordinates: [ 0.572622580000000, 0.679954420000000, 0.396325660000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 63 coordinates: [ 0.927377420000000, 0.679954420000000, 0.353674340000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 64 coordinates: [ 0.920756820000000, 0.824048610000000, 0.234054240000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 65 coordinates: [ 0.675951390000000, 0.420756820000000, 0.265945760000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 66 coordinates: [ 0.072622580000000, 0.320045580000000, 0.353674340000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 67 coordinates: [ 0.820045580000000, 0.427377420000000, 0.146325660000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 68 coordinates: [ 0.324048610000000, 0.579243180000000, 0.265945760000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 69 coordinates: [ 0.179954420000000, 0.572622580000000, 0.146325660000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 70 coordinates: [ 0.079243180000000, 0.175951390000000, 0.234054240000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 71 coordinates: [ 0.428327300000000, 0.175341120000000, 0.183219510000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 72 coordinates: [ 0.428327300000000, 0.324658880000000, 0.066780490000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 73 coordinates: [ 0.179954420000000, 0.927377420000000, 0.103674340000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 74 coordinates: [ 0.571672700000000, 0.824658880000000, 0.183219510000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 75 coordinates: [ 0.820045580000000, 0.072622580000000, 0.103674340000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 76 coordinates: [ 0.324048610000000, 0.920756820000000, 0.984054240000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 77 coordinates: [ 0.675951390000000, 0.079243180000000, 0.984054240000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 78 coordinates: [ 0.571672700000000, 0.675341120000000, 0.066780490000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 79 coordinates: [ 0.920756820000000, 0.675951390000000, 0.015945760000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 80 coordinates: [ 0.079243180000000, 0.324048610000000, 0.015945760000000 ] mass: 78.960000 reduced_to: 56displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0486834700000000, 0.0041854700000000, 0.0003547400000000 ] - [ -0.0000033400000000, -0.0000115100000000, -0.0000644400000000 ] - [ 0.0000187500000000, -0.0000374200000000, -0.0000846200000000 ] - [ 0.0000354200000000, 0.0000609100000000, -0.0000617600000000 ] - [ -0.0000754100000000, -0.0000558800000000, 0.0000236300000000 ] - [ 0.0000000000000000, 0.0000235000000000, -0.0000623400000000 ] - [ -0.0000840600000000, 0.0000540000000000, 0.0000714200000000 ] - [ 0.0001288900000000, 0.0001368300000000, 0.0000502900000000 ] - [ 0.0007429500000000, -0.0001893900000000, 0.0001103700000000 ] - [ -0.0014875100000000, 0.0009253600000000, -0.0039505400000000 ] - [ 0.0000640700000000, -0.0001132600000000, -0.0000971700000000 ] - [ -0.0000924000000000, -0.0003982200000000, -0.0001866300000000 ] - [ -0.0015390700000000, -0.0017963600000000, 0.0034803600000000 ] - [ -0.0012429500000000, -0.0030139000000000, -0.0005803700000000 ] - [ -0.0021583300000000, -0.0008889800000000, 0.0002398700000000 ] - [ 0.0076567300000000, 0.0030468400000000, 0.0058000300000000 ] - [ -0.0000137700000000, 0.0000186100000000, -0.0000585600000000 ] - [ 0.0070533000000000, -0.0060816600000000, 0.0029226800000000 ] - [ 0.0068952000000000, -0.0019593900000000, -0.0064263900000000 ] - [ -0.0010417000000000, 0.0010717200000000, -0.0023072200000000 ] - [ -0.0020548900000000, -0.0005149200000000, 0.0023223900000000 ] - [ -0.0013836900000000, 0.0027007600000000, 0.0017209500000000 ] - [ -0.0001995700000000, 0.0002817400000000, 0.0000598900000000 ] - [ -0.0000043300000000, 0.0001338800000000, -0.0000445200000000 ] - [ -0.0000187600000000, 0.0000771200000000, -0.0000750700000000 ] - [ -0.0000979800000000, 0.0000598400000000, -0.0000587000000000 ] - [ 0.0001931600000000, -0.0001155900000000, -0.0001008600000000 ] - [ -0.0000050100000000, -0.0000468000000000, -0.0001094400000000 ] - [ 0.0000255000000000, -0.0000410400000000, -0.0000048200000000 ] - [ 0.0000086700000000, 0.0000046500000000, -0.0000032600000000 ] - [ 0.0000125000000000, -0.0000153700000000, -0.0000629800000000 ] - [ -0.0000001700000000, -0.0000047000000000, -0.0000062200000000 ] - [ -0.0000132600000000, 0.0000015200000000, 0.0000508500000000 ] - [ -0.0000190800000000, 0.0000146600000000, 0.0000381100000000 ] - [ 0.0000150000000000, -0.0000133700000000, 0.0000228000000000 ] - [ 0.0000434600000000, 0.0000224700000000, 0.0000114500000000 ] - [ -0.0000528900000000, 0.0000060300000000, -0.0000109500000000 ] - [ 0.0000182700000000, 0.0000011600000000, 0.0000659400000000 ] - [ 0.0000000500000000, -0.0000189700000000, -0.0000339600000000 ] - [ -0.0000399800000000, -0.0000028600000000, -0.0000405400000000 ] - [ -0.0000195800000000, -0.0000386300000000, 0.0000797600000000 ] - [ 0.0000010100000000, 0.0000113300000000, -0.0000312300000000 ] - [ -0.0005560600000000, 0.0001970900000000, 0.0001407400000000 ] - [ 0.0000155800000000, -0.0000239500000000, 0.0001964900000000 ] - [ 0.0005529200000000, 0.0000586900000000, -0.0000541800000000 ] - [ -0.0002516600000000, -0.0001760200000000, 0.0004358400000000 ] - [ 0.0000361000000000, -0.0000944800000000, -0.0004503400000000 ] - [ 0.0043610400000000, 0.0019986100000000, 0.0065361700000000 ] - [ 0.0004147200000000, 0.0000194500000000, -0.0000630200000000 ] - [ -0.0000629600000000, 0.0000547600000000, -0.0001069700000000 ] - [ -0.0009583100000000, -0.0002285100000000, -0.0004644300000000 ] - [ 0.0032428000000000, 0.0072757200000000, -0.0021376200000000 ] - [ 0.0082899100000000, -0.0023888000000000, 0.0019235500000000 ] - [ 0.0006733600000000, -0.0002460400000000, -0.0002374700000000 ] - [ -0.0020294900000000, 0.0013695200000000, -0.0006952100000000 ] - [ 0.0125810400000000, -0.0016484200000000, -0.0045123200000000 ] - [ -0.0013311400000000, -0.0004982800000000, 0.0005580000000000 ] - [ -0.0003228500000000, -0.0002581800000000, -0.0003256600000000 ] - [ 0.0027591500000000, -0.0041747700000000, 0.0012985500000000 ] - [ -0.0011941800000000, 0.0003251800000000, 0.0003629900000000 ] - [ 0.0004561200000000, 0.0001593600000000, -0.0000074400000000 ] - [ 0.0041750700000000, 0.0013853800000000, 0.0011938500000000 ] - [ 0.0064765300000000, -0.0009662800000000, -0.0069291600000000 ] - [ 0.0000536600000000, 0.0000707100000000, 0.0002914600000000 ] - [ 0.0001770000000000, -0.0000897300000000, 0.0001095400000000 ] - [ 0.0006742200000000, 0.0002635900000000, -0.0000025000000000 ] - [ 0.0000360100000000, 0.0000089100000000, -0.0000116700000000 ] - [ -0.0004165200000000, -0.0000596700000000, -0.0001553900000000 ] - [ -0.0000527300000000, 0.0000129000000000, -0.0000006100000000 ] - [ -0.0001153100000000, 0.0000773700000000, 0.0000391400000000 ] - [ -0.0000141300000000, -0.0000182400000000, 0.0001039400000000 ] - [ 0.0000036400000000, 0.0000246900000000, 0.0000387800000000 ] - [ -0.0000657100000000, 0.0000013500000000, 0.0000068600000000 ] - [ -0.0002128600000000, 0.0001232100000000, -0.0002238300000000 ] - [ 0.0000319100000000, -0.0000323100000000, -0.0000317200000000 ] - [ 0.0000028100000000, 0.0000092700000000, 0.0000401100000000 ] - [ -0.0000090100000000, -0.0000080400000000, 0.0000290800000000 ] - [ -0.0000002400000000, -0.0000080300000000, 0.0000445800000000 ] - [ -0.0000015300000000, 0.0000110200000000, 0.0000572700000000 ] - [ -0.0000006200000000, -0.0000071900000000, 0.0000396300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0488656700000000, -0.0042312700000000, -0.0005105600000000 ] - [ 0.0000030600000000, 0.0000114800000000, 0.0000086400000000 ] - [ -0.0000187400000000, -0.0000190400000000, 0.0000850100000000 ] - [ -0.0000357900000000, -0.0000616700000000, 0.0001206200000000 ] - [ 0.0000887700000000, 0.0000959000000000, 0.0000147200000000 ] - [ -0.0000008200000000, 0.0000331700000000, 0.0000623900000000 ] - [ 0.0000720000000000, -0.0000950900000000, -0.0000358600000000 ] - [ -0.0001760900000000, -0.0001202900000000, -0.0000797600000000 ] - [ -0.0007474700000000, 0.0001778000000000, -0.0001797300000000 ] - [ 0.0014341100000000, -0.0009250100000000, 0.0039767300000000 ] - [ -0.0000205200000000, 0.0001022800000000, 0.0000601800000000 ] - [ 0.0001493600000000, 0.0003931700000000, 0.0001984200000000 ] - [ 0.0014947700000000, 0.0018018700000000, -0.0034200800000000 ] - [ 0.0013242500000000, 0.0030476000000000, 0.0006019300000000 ] - [ 0.0021559000000000, 0.0008421100000000, -0.0002845400000000 ] - [ -0.0076352700000000, -0.0030150700000000, -0.0056892000000000 ] - [ -0.0000006300000000, 0.0000218700000000, 0.0000210900000000 ] - [ -0.0071277500000000, 0.0061416500000000, -0.0030204700000000 ] - [ -0.0068331900000000, 0.0018704500000000, 0.0063469800000000 ] - [ 0.0010091800000000, -0.0010824800000000, 0.0023628100000000 ] - [ 0.0020746500000000, 0.0005511900000000, -0.0022940000000000 ] - [ 0.0014294900000000, -0.0026400200000000, -0.0017053100000000 ] - [ 0.0001833200000000, -0.0003197400000000, -0.0000284800000000 ] - [ -0.0000347000000000, -0.0001232600000000, 0.0000062700000000 ] - [ 0.0000188300000000, -0.0000768300000000, 0.0000200300000000 ] - [ 0.0000408200000000, -0.0000598400000000, 0.0000592000000000 ] - [ -0.0001587300000000, 0.0000999700000000, 0.0000569400000000 ] - [ 0.0000624900000000, 0.0000481400000000, 0.0001126000000000 ] - [ -0.0000253500000000, 0.0000414400000000, 0.0000609900000000 ] - [ 0.0000312200000000, 0.0000097300000000, 0.0000416500000000 ] - [ 0.0000018000000000, -0.0000251700000000, 0.0000255200000000 ] - [ -0.0000405300000000, -0.0000098300000000, 0.0000449000000000 ] - [ 0.0000267400000000, 0.0000295400000000, 0.0000448700000000 ] - [ -0.0000251600000000, 0.0000061200000000, -0.0000190100000000 ] - [ 0.0000292500000000, -0.0000071400000000, -0.0000040100000000 ] - [ -0.0000002500000000, -0.0000025000000000, -0.0000301700000000 ] - [ 0.0000102700000000, -0.0000268900000000, -0.0000094100000000 ] - [ -0.0000319500000000, -0.0000323600000000, 0.0000296700000000 ] - [ 0.0000130500000000, -0.0000117400000000, -0.0000621300000000 ] - [ 0.0000476500000000, 0.0000056200000000, 0.0000243600000000 ] - [ 0.0000183300000000, 0.0000465000000000, -0.0000654800000000 ] - [ -0.0000150900000000, 0.0000192400000000, -0.0000652600000000 ] - [ 0.0005888000000000, -0.0001833700000000, -0.0000477300000000 ] - [ -0.0000146900000000, 0.0000155200000000, -0.0001839800000000 ] - [ -0.0005938900000000, -0.0000750700000000, 0.0001488000000000 ] - [ 0.0002431700000000, 0.0001762900000000, -0.0004577900000000 ] - [ -0.0000160300000000, 0.0000426800000000, 0.0004783900000000 ] - [ -0.0044101900000000, -0.0019417500000000, -0.0065587500000000 ] - [ -0.0004500200000000, -0.0000057700000000, -0.0000337600000000 ] - [ 0.0000439200000000, -0.0000088000000000, 0.0001257700000000 ] - [ 0.0009883200000000, 0.0002202000000000, 0.0003447600000000 ] - [ -0.0031334600000000, -0.0071788700000000, 0.0021100500000000 ] - [ -0.0077543400000000, 0.0021350400000000, -0.0018368900000000 ] - [ -0.0006840900000000, 0.0001997700000000, 0.0002164800000000 ] - [ 0.0020557800000000, -0.0013925900000000, 0.0006973700000000 ] - [ -0.0132878100000000, 0.0018006500000000, 0.0048721300000000 ] - [ 0.0013483800000000, 0.0005466600000000, -0.0004560900000000 ] - [ 0.0006268800000000, 0.0004393600000000, 0.0002912900000000 ] - [ -0.0026280700000000, 0.0040788400000000, -0.0012684700000000 ] - [ 0.0012349100000000, -0.0003063200000000, -0.0003620000000000 ] - [ -0.0005057100000000, -0.0001823500000000, -0.0000128200000000 ] - [ -0.0046391900000000, -0.0014881000000000, -0.0013331400000000 ] - [ -0.0065740500000000, 0.0009376900000000, 0.0068592600000000 ] - [ -0.0000453400000000, -0.0000628400000000, -0.0003144800000000 ] - [ -0.0001857100000000, 0.0001008400000000, -0.0000982400000000 ] - [ -0.0006712400000000, -0.0002336500000000, -0.0000903400000000 ] - [ -0.0000054900000000, 0.0000041500000000, 0.0001077800000000 ] - [ 0.0004184200000000, 0.0000528000000000, 0.0001693800000000 ] - [ 0.0000217000000000, -0.0000264800000000, 0.0000957200000000 ] - [ 0.0001072000000000, -0.0000782800000000, -0.0000527600000000 ] - [ 0.0000332300000000, -0.0000265300000000, -0.0000838100000000 ] - [ 0.0000171200000000, 0.0000190700000000, -0.0000579000000000 ] - [ 0.0000353000000000, 0.0000116300000000, -0.0001022000000000 ] - [ 0.0001934100000000, -0.0000807800000000, 0.0002480200000000 ] - [ -0.0000018000000000, 0.0000200000000000, -0.0000650800000000 ] - [ -0.0000004600000000, -0.0000002500000000, -0.0000531900000000 ] - [ 0.0000066100000000, -0.0000011500000000, -0.0000427100000000 ] - [ -0.0000206100000000, -0.0000356700000000, -0.0000635700000000 ] - [ 0.0000103500000000, -0.0000136600000000, -0.0000452100000000 ] - [ -0.0000082400000000, 0.0000094900000000, -0.0000273100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0042588900000000, -0.0708022800000000, -0.0050439400000000 ] - [ -0.0000078100000000, -0.0000084500000000, -0.0000369300000000 ] - [ -0.0000099300000000, -0.0000467300000000, -0.0000010600000000 ] - [ 0.0000202900000000, -0.0000366100000000, 0.0000006900000000 ] - [ 0.0000825900000000, 0.0000417200000000, -0.0000389700000000 ] - [ 0.0000145900000000, 0.0000478800000000, -0.0000027700000000 ] - [ -0.0000812800000000, -0.0000172300000000, 0.0001029700000000 ] - [ 0.0002122600000000, 0.0000231400000000, -0.0000253800000000 ] - [ 0.0000457500000000, 0.0005400300000000, -0.0000998300000000 ] - [ -0.0005478500000000, -0.0012502600000000, 0.0015030800000000 ] - [ -0.0001972800000000, 0.0001681100000000, -0.0004392700000000 ] - [ 0.0003661200000000, 0.0005025100000000, 0.0001815300000000 ] - [ -0.0025714100000000, -0.0008828700000000, -0.0071066800000000 ] - [ -0.0009178800000000, 0.0076657700000000, 0.0044924900000000 ] - [ -0.0008177800000000, 0.0062442100000000, 0.0016328100000000 ] - [ 0.0009032700000000, -0.0012914800000000, 0.0015621900000000 ] - [ -0.0000090100000000, 0.0000099900000000, -0.0000468200000000 ] - [ -0.0048392000000000, 0.0000183500000000, -0.0019140000000000 ] - [ -0.0020238800000000, -0.0001524500000000, 0.0023693400000000 ] - [ 0.0015532600000000, -0.0012877000000000, -0.0048047000000000 ] - [ 0.0005415000000000, -0.0007924100000000, 0.0006225900000000 ] - [ 0.0029297800000000, 0.0082243600000000, 0.0081331400000000 ] - [ -0.0003080300000000, 0.0002610100000000, -0.0000914100000000 ] - [ 0.0002145800000000, 0.0001605800000000, -0.0006121800000000 ] - [ 0.0000694300000000, -0.0000767800000000, 0.0001131300000000 ] - [ -0.0001020500000000, 0.0000205600000000, -0.0000168600000000 ] - [ -0.0001996600000000, 0.0000340800000000, -0.0001664300000000 ] - [ 0.0000613200000000, -0.0000162400000000, 0.0000711200000000 ] - [ -0.0000098800000000, -0.0000208000000000, 0.0000026100000000 ] - [ -0.0000049800000000, 0.0000273500000000, 0.0000079000000000 ] - [ 0.0000121700000000, -0.0000466800000000, -0.0000316900000000 ] - [ 0.0000048200000000, -0.0000186900000000, 0.0000211300000000 ] - [ 0.0000094100000000, 0.0000358900000000, 0.0000311700000000 ] - [ -0.0000307200000000, 0.0000251700000000, 0.0000199400000000 ] - [ 0.0000288300000000, -0.0000124100000000, 0.0000153700000000 ] - [ 0.0000366500000000, 0.0000800600000000, 0.0000673900000000 ] - [ -0.0000481300000000, 0.0000019300000000, -0.0000243700000000 ] - [ -0.0000164500000000, -0.0000166000000000, 0.0000568700000000 ] - [ 0.0000043000000000, -0.0000266800000000, -0.0000111400000000 ] - [ -0.0000795600000000, -0.0000500000000000, 0.0000460300000000 ] - [ 0.0000165600000000, 0.0000015400000000, -0.0000049600000000 ] - [ 0.0000001800000000, 0.0000359500000000, -0.0000229700000000 ] - [ 0.0001364600000000, -0.0004434000000000, -0.0001958400000000 ] - [ 0.0000019800000000, -0.0000467400000000, -0.0000169900000000 ] - [ 0.0000478200000000, -0.0001346100000000, -0.0003965000000000 ] - [ -0.0000005100000000, 0.0001568400000000, -0.0000622500000000 ] - [ -0.0001215700000000, 0.0003437300000000, -0.0003026500000000 ] - [ 0.0016672300000000, 0.0042517800000000, 0.0066750800000000 ] - [ -0.0008277800000000, 0.0003342300000000, 0.0010040700000000 ] - [ 0.0000859100000000, -0.0000960800000000, 0.0000055900000000 ] - [ 0.0007393700000000, 0.0005886000000000, -0.0000941200000000 ] - [ 0.0073628700000000, 0.0193280400000000, -0.0073054400000000 ] - [ -0.0035140300000000, 0.0052164400000000, -0.0014728200000000 ] - [ 0.0006074000000000, -0.0009875000000000, 0.0008921300000000 ] - [ -0.0000193300000000, -0.0006246200000000, -0.0008485000000000 ] - [ -0.0014663800000000, 0.0014561300000000, 0.0002419200000000 ] - [ 0.0003252500000000, -0.0008792800000000, -0.0001658600000000 ] - [ 0.0003119800000000, 0.0018544900000000, -0.0007686600000000 ] - [ -0.0041117400000000, 0.0139823300000000, -0.0055125500000000 ] - [ -0.0004966500000000, 0.0006960300000000, 0.0004780800000000 ] - [ 0.0004480500000000, 0.0003030700000000, 0.0015544700000000 ] - [ 0.0017962600000000, 0.0033515300000000, 0.0011998100000000 ] - [ -0.0010526400000000, 0.0044610200000000, 0.0055478800000000 ] - [ 0.0001564100000000, 0.0002457700000000, -0.0002138900000000 ] - [ -0.0002971000000000, 0.0000702100000000, -0.0008634600000000 ] - [ -0.0003957900000000, -0.0007608500000000, 0.0001819500000000 ] - [ 0.0000489800000000, -0.0000471500000000, 0.0000200700000000 ] - [ 0.0000300500000000, -0.0000946700000000, -0.0002479100000000 ] - [ -0.0000322200000000, 0.0000128600000000, 0.0000571400000000 ] - [ -0.0001158500000000, -0.0000622200000000, -0.0001560900000000 ] - [ 0.0000406300000000, -0.0001110800000000, 0.0000952500000000 ] - [ 0.0000018200000000, -0.0000038700000000, 0.0000449800000000 ] - [ 0.0000137000000000, -0.0000142600000000, -0.0000273700000000 ] - [ 0.0000573800000000, 0.0002149900000000, 0.0000762000000000 ] - [ 0.0000040500000000, 0.0000868000000000, 0.0000469600000000 ] - [ -0.0000048100000000, -0.0000007500000000, 0.0000003600000000 ] - [ 0.0000080400000000, 0.0000154400000000, 0.0000036400000000 ] - [ -0.0000052700000000, 0.0000127500000000, 0.0000310200000000 ] - [ 0.0000121000000000, 0.0000035900000000, -0.0000218100000000 ] - [ -0.0000058400000000, 0.0000036300000000, 0.0000049700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0041552300000000, 0.0711169400000000, 0.0049557600000000 ] - [ 0.0000080700000000, 0.0000081100000000, -0.0000178500000000 ] - [ 0.0000097300000000, -0.0000108200000000, 0.0000017600000000 ] - [ -0.0000202900000000, 0.0000368000000000, 0.0000566700000000 ] - [ -0.0000692800000000, -0.0000024900000000, 0.0000789100000000 ] - [ -0.0000147700000000, 0.0000096700000000, 0.0000031200000000 ] - [ 0.0000679000000000, -0.0000245700000000, -0.0000644600000000 ] - [ -0.0002544900000000, -0.0000074300000000, -0.0000138700000000 ] - [ -0.0000470200000000, -0.0005484800000000, 0.0000443100000000 ] - [ 0.0004973200000000, 0.0012687600000000, -0.0015219500000000 ] - [ 0.0002409100000000, -0.0001834700000000, 0.0004072500000000 ] - [ -0.0003120200000000, -0.0005041300000000, -0.0001763600000000 ] - [ 0.0026072500000000, 0.0009037900000000, 0.0072316300000000 ] - [ 0.0009250700000000, -0.0076254400000000, -0.0043493100000000 ] - [ 0.0009130900000000, -0.0062827000000000, -0.0016734700000000 ] - [ -0.0009393600000000, 0.0012759500000000, -0.0015316600000000 ] - [ -0.0000056700000000, 0.0000302600000000, 0.0000093400000000 ] - [ 0.0047487100000000, -0.0000324700000000, 0.0018512300000000 ] - [ 0.0020271000000000, 0.0000999400000000, -0.0023671000000000 ] - [ -0.0015225700000000, 0.0012663500000000, 0.0048128300000000 ] - [ -0.0005245500000000, 0.0008158500000000, -0.0005651800000000 ] - [ -0.0029711900000000, -0.0082373100000000, -0.0082696000000000 ] - [ 0.0002935300000000, -0.0002993300000000, 0.0001270000000000 ] - [ -0.0002520700000000, -0.0001444600000000, 0.0005679500000000 ] - [ -0.0000715700000000, 0.0000772100000000, -0.0001668000000000 ] - [ 0.0000437400000000, -0.0000202400000000, 0.0000173600000000 ] - [ 0.0002386100000000, -0.0000502900000000, 0.0001317500000000 ] - [ -0.0000028200000000, 0.0000171600000000, -0.0000695200000000 ] - [ 0.0000097300000000, 0.0000204900000000, 0.0000534700000000 ] - [ 0.0000451000000000, -0.0000131200000000, 0.0000314100000000 ] - [ 0.0000022600000000, 0.0000059800000000, -0.0000058300000000 ] - [ -0.0000452100000000, 0.0000040500000000, 0.0000179900000000 ] - [ 0.0000032600000000, -0.0000048600000000, 0.0000641800000000 ] - [ -0.0000128800000000, -0.0000037900000000, 0.0000004000000000 ] - [ 0.0000149400000000, -0.0000087000000000, 0.0000052600000000 ] - [ 0.0000065900000000, -0.0000593400000000, -0.0000895000000000 ] - [ 0.0000049200000000, -0.0000238200000000, 0.0000029200000000 ] - [ 0.0000036300000000, -0.0000143100000000, 0.0000385500000000 ] - [ 0.0000084000000000, -0.0000041000000000, -0.0000849700000000 ] - [ 0.0000902400000000, 0.0000509100000000, -0.0000612800000000 ] - [ -0.0000185800000000, 0.0000081000000000, 0.0000190800000000 ] - [ -0.0000132000000000, -0.0000050800000000, -0.0000736000000000 ] - [ -0.0001111600000000, 0.0004643400000000, 0.0002947200000000 ] - [ 0.0000001700000000, 0.0000390400000000, 0.0000293600000000 ] - [ -0.0000775100000000, 0.0001284200000000, 0.0004871300000000 ] - [ -0.0000078100000000, -0.0001600100000000, 0.0000485800000000 ] - [ 0.0001434800000000, -0.0003911400000000, 0.0003272800000000 ] - [ -0.0016733600000000, -0.0042651800000000, -0.0067199900000000 ] - [ 0.0008103700000000, -0.0003253200000000, -0.0011197300000000 ] - [ -0.0001079000000000, 0.0001421900000000, 0.0000131300000000 ] - [ -0.0007088600000000, -0.0006060200000000, -0.0000018700000000 ] - [ -0.0076101200000000, -0.0205779000000000, 0.0076775100000000 ] - [ 0.0036776300000000, -0.0053262000000000, 0.0014908800000000 ] - [ -0.0006302000000000, 0.0009679300000000, -0.0009231700000000 ] - [ 0.0000419200000000, 0.0006266900000000, 0.0008547200000000 ] - [ 0.0014574500000000, -0.0014673300000000, -0.0002300000000000 ] - [ -0.0003066200000000, 0.0009155700000000, 0.0002637400000000 ] - [ -0.0001900000000000, -0.0017122100000000, 0.0007489900000000 ] - [ 0.0040022700000000, -0.0130137200000000, 0.0051975500000000 ] - [ 0.0005408100000000, -0.0006684800000000, -0.0004966800000000 ] - [ -0.0004807200000000, -0.0003119700000000, -0.0015493100000000 ] - [ -0.0018318500000000, -0.0033712900000000, -0.0011248200000000 ] - [ 0.0010351700000000, -0.0044328500000000, -0.0055655300000000 ] - [ -0.0001454900000000, -0.0002429000000000, 0.0002006500000000 ] - [ 0.0002968600000000, -0.0000634500000000, 0.0008816900000000 ] - [ 0.0003789400000000, 0.0007756400000000, -0.0002737400000000 ] - [ -0.0000182900000000, 0.0000592000000000, 0.0000753200000000 ] - [ -0.0000296800000000, 0.0000809100000000, 0.0002531800000000 ] - [ 0.0000009800000000, -0.0000264100000000, 0.0000368200000000 ] - [ 0.0001048600000000, 0.0000617400000000, 0.0001430300000000 ] - [ -0.0000183900000000, 0.0000674900000000, -0.0000733900000000 ] - [ 0.0000195800000000, 0.0000471700000000, -0.0000662500000000 ] - [ -0.0000441500000000, 0.0000273800000000, -0.0000688700000000 ] - [ -0.0000767600000000, -0.0001695500000000, -0.0000552600000000 ] - [ 0.0000268900000000, -0.0000991700000000, -0.0001419600000000 ] - [ 0.0000064100000000, 0.0000100200000000, -0.0000135000000000 ] - [ -0.0000096100000000, -0.0000248400000000, -0.0000168800000000 ] - [ -0.0000158100000000, -0.0000560100000000, -0.0000520700000000 ] - [ -0.0000036500000000, -0.0000054900000000, 0.0000340200000000 ] - [ -0.0000031900000000, -0.0000019100000000, 0.0000068700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003083400000000, -0.0049682600000000, -0.0900319100000000 ] - [ 0.0000075200000000, -0.0000041300000000, 0.0014189300000000 ] - [ -0.0001547000000000, -0.0000577700000000, 0.0013968200000000 ] - [ -0.0000073900000000, -0.0000716100000000, 0.0014108300000000 ] - [ 0.0000113300000000, 0.0000789400000000, 0.0011654500000000 ] - [ 0.0001753700000000, 0.0000636600000000, 0.0013867100000000 ] - [ -0.0000602700000000, 0.0000637000000000, 0.0016157900000000 ] - [ 0.0005707200000000, 0.0000336600000000, 0.0010071800000000 ] - [ 0.0004461300000000, 0.0015797500000000, 0.0032922700000000 ] - [ -0.0029598900000000, -0.0006876500000000, 0.0029597400000000 ] - [ -0.0001284900000000, -0.0000849800000000, 0.0011049400000000 ] - [ -0.0000684900000000, 0.0000656600000000, -0.0002684900000000 ] - [ 0.0029233300000000, -0.0074397300000000, 0.0028869700000000 ] - [ -0.0015379900000000, 0.0057806300000000, -0.0028566200000000 ] - [ -0.0002583300000000, -0.0016699800000000, -0.0049999400000000 ] - [ 0.0044304400000000, 0.0005840200000000, -0.0028498500000000 ] - [ -0.0000469700000000, -0.0000076900000000, 0.0011737600000000 ] - [ 0.0018478700000000, -0.0021334700000000, -0.0045403300000000 ] - [ -0.0047951700000000, 0.0014681100000000, -0.0030540800000000 ] - [ -0.0020444100000000, -0.0068113300000000, 0.0020582700000000 ] - [ 0.0022996200000000, -0.0005770400000000, 0.0040136800000000 ] - [ 0.0023063200000000, 0.0077058900000000, -0.0016999700000000 ] - [ -0.0000496800000000, -0.0001280500000000, 0.0004274300000000 ] - [ -0.0000146800000000, -0.0000579900000000, 0.0010049600000000 ] - [ -0.0000260500000000, 0.0000001400000000, 0.0014212900000000 ] - [ -0.0000223100000000, -0.0001314500000000, 0.0012578700000000 ] - [ -0.0004018600000000, -0.0000867700000000, 0.0011031500000000 ] - [ 0.0000228500000000, 0.0002604100000000, 0.0016401000000000 ] - [ 0.0000051400000000, -0.0000672600000000, 0.0014881600000000 ] - [ 0.0000186500000000, -0.0000184400000000, 0.0012224400000000 ] - [ 0.0000515900000000, -0.0000073700000000, 0.0012123200000000 ] - [ -0.0000320300000000, 0.0000152700000000, 0.0012224700000000 ] - [ 0.0001168400000000, 0.0001215500000000, -0.0006974400000000 ] - [ -0.0000523600000000, -0.0001072500000000, -0.0008932500000000 ] - [ 0.0000644900000000, 0.0001014800000000, -0.0008903700000000 ] - [ 0.0000019500000000, 0.0002348200000000, -0.0009412400000000 ] - [ -0.0000889100000000, -0.0000457900000000, -0.0008896600000000 ] - [ -0.0001739800000000, -0.0001039800000000, -0.0006108900000000 ] - [ -0.0001521900000000, 0.0000473200000000, -0.0006875200000000 ] - [ 0.0002264500000000, -0.0000900100000000, -0.0007147200000000 ] - [ -0.0002895700000000, -0.0001315900000000, -0.0010863500000000 ] - [ 0.0001952400000000, -0.0000637000000000, -0.0007413200000000 ] - [ -0.0005389000000000, -0.0002731900000000, -0.0002762900000000 ] - [ 0.0002758800000000, 0.0000283600000000, -0.0010887300000000 ] - [ 0.0005869100000000, -0.0015178200000000, -0.0001894100000000 ] - [ -0.0000932700000000, 0.0002282600000000, -0.0010264800000000 ] - [ -0.0002465000000000, 0.0002130600000000, -0.0015537000000000 ] - [ 0.0062636900000000, 0.0075841200000000, 0.0217463500000000 ] - [ 0.0002698000000000, 0.0004418100000000, 0.0003796500000000 ] - [ -0.0001273500000000, -0.0000281800000000, -0.0003350300000000 ] - [ -0.0000218800000000, 0.0005281200000000, 0.0001636100000000 ] - [ -0.0007031900000000, -0.0056824700000000, 0.0067616700000000 ] - [ 0.0016059300000000, -0.0001210900000000, 0.0085298400000000 ] - [ -0.0010610600000000, -0.0009983100000000, 0.0017361000000000 ] - [ 0.0014070700000000, -0.0008085900000000, 0.0025643700000000 ] - [ -0.0068462600000000, 0.0008849700000000, 0.0082923000000000 ] - [ -0.0008137500000000, -0.0003868600000000, 0.0012062300000000 ] - [ 0.0001283900000000, 0.0004607900000000, 0.0048174200000000 ] - [ 0.0004756300000000, -0.0044004200000000, 0.0056602100000000 ] - [ 0.0002394900000000, 0.0008085400000000, 0.0001577300000000 ] - [ -0.0002870400000000, 0.0006476800000000, 0.0005247400000000 ] - [ 0.0019212900000000, 0.0024114400000000, 0.0031655600000000 ] - [ -0.0060552300000000, 0.0086284900000000, 0.0303640600000000 ] - [ 0.0004407900000000, -0.0001604600000000, -0.0012524500000000 ] - [ -0.0002639900000000, -0.0009588700000000, -0.0006569100000000 ] - [ 0.0008253500000000, -0.0004848700000000, 0.0018768900000000 ] - [ 0.0000697300000000, 0.0001163800000000, -0.0005382500000000 ] - [ 0.0000171800000000, -0.0001454000000000, -0.0008855800000000 ] - [ -0.0000541300000000, -0.0001991200000000, -0.0005996600000000 ] - [ -0.0000473600000000, 0.0002939500000000, -0.0007388000000000 ] - [ -0.0001938500000000, -0.0000605000000000, -0.0007554500000000 ] - [ 0.0001234900000000, -0.0000254700000000, -0.0008666400000000 ] - [ 0.0001407700000000, -0.0001261900000000, -0.0007055800000000 ] - [ 0.0001051400000000, 0.0001880400000000, -0.0010779500000000 ] - [ -0.0000868400000000, 0.0002962500000000, -0.0007297600000000 ] - [ -0.0001416800000000, 0.0001502400000000, -0.0010503100000000 ] - [ 0.0001374500000000, -0.0001538800000000, -0.0010512200000000 ] - [ -0.0001402700000000, -0.0000002100000000, -0.0009177500000000 ] - [ -0.0001164800000000, -0.0001662100000000, -0.0010984600000000 ] - [ 0.0001405700000000, 0.0001359000000000, -0.0009899200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005562500000000, 0.0050510200000000, 0.0902970300000000 ] - [ -0.0000074900000000, 0.0000038800000000, -0.0014749000000000 ] - [ 0.0001545200000000, 0.0000003100000000, -0.0013968700000000 ] - [ 0.0000074200000000, 0.0000718000000000, -0.0013544000000000 ] - [ 0.0000023800000000, -0.0000391400000000, -0.0011262800000000 ] - [ -0.0001753700000000, -0.0000060300000000, -0.0013874700000000 ] - [ 0.0000469300000000, -0.0001036900000000, -0.0015769000000000 ] - [ -0.0006093200000000, -0.0000172200000000, -0.0010434200000000 ] - [ -0.0004494100000000, -0.0015928300000000, -0.0033472500000000 ] - [ 0.0028666000000000, 0.0006929500000000, -0.0029659100000000 ] - [ 0.0001694500000000, 0.0000728500000000, -0.0011409000000000 ] - [ 0.0001251200000000, -0.0000677500000000, 0.0002683200000000 ] - [ -0.0028758700000000, 0.0073207700000000, -0.0027684200000000 ] - [ 0.0015555900000000, -0.0057087800000000, 0.0028712200000000 ] - [ 0.0002660600000000, 0.0016359600000000, 0.0049663800000000 ] - [ -0.0044108100000000, -0.0005980700000000, 0.0028779000000000 ] - [ 0.0000326800000000, 0.0000481400000000, -0.0012120400000000 ] - [ -0.0018488700000000, 0.0021327400000000, 0.0044906200000000 ] - [ 0.0048589100000000, -0.0015294400000000, 0.0030713400000000 ] - [ 0.0020798500000000, 0.0069054200000000, -0.0020481100000000 ] - [ -0.0023167700000000, 0.0006107700000000, -0.0039788300000000 ] - [ -0.0023396400000000, -0.0077189400000000, 0.0017191500000000 ] - [ 0.0000384800000000, 0.0000904200000000, -0.0003916200000000 ] - [ -0.0000261700000000, 0.0000718600000000, -0.0010455800000000 ] - [ 0.0000250800000000, 0.0000005000000000, -0.0014766900000000 ] - [ -0.0000354600000000, 0.0001316000000000, -0.0012593400000000 ] - [ 0.0004444900000000, 0.0000706600000000, -0.0011425800000000 ] - [ 0.0000352300000000, -0.0002601800000000, -0.0016412600000000 ] - [ -0.0000047000000000, 0.0000675700000000, -0.0014333000000000 ] - [ 0.0000217100000000, 0.0000327300000000, -0.0011844000000000 ] - [ -0.0000371300000000, -0.0000330300000000, -0.0012506800000000 ] - [ -0.0000085400000000, -0.0000296000000000, -0.0011843900000000 ] - [ -0.0001045500000000, -0.0000907000000000, 0.0007926400000000 ] - [ 0.0000087900000000, 0.0001283900000000, 0.0009132900000000 ] - [ -0.0000207000000000, -0.0001221600000000, 0.0009101200000000 ] - [ 0.0000417800000000, -0.0002135200000000, 0.0009210500000000 ] - [ 0.0000455300000000, 0.0000244100000000, 0.0008684600000000 ] - [ 0.0001611600000000, 0.0000731900000000, 0.0007061700000000 ] - [ 0.0001650800000000, -0.0000783600000000, 0.0005917700000000 ] - [ -0.0002169500000000, 0.0000911300000000, 0.0007007700000000 ] - [ 0.0002874900000000, 0.0001390800000000, 0.0011020400000000 ] - [ -0.0002084300000000, 0.0000944400000000, 0.0006451200000000 ] - [ 0.0005649300000000, 0.0002889700000000, 0.0003737100000000 ] - [ -0.0002738800000000, -0.0000371800000000, 0.0011017500000000 ] - [ -0.0006143700000000, 0.0014907400000000, 0.0002788800000000 ] - [ 0.0000839600000000, -0.0002296200000000, 0.0010123100000000 ] - [ 0.0002638700000000, -0.0002631500000000, 0.0015676900000000 ] - [ -0.0059835700000000, -0.0071520900000000, -0.0206381200000000 ] - [ -0.0003012300000000, -0.0004315600000000, -0.0004652900000000 ] - [ 0.0001056700000000, 0.0000768600000000, 0.0003536800000000 ] - [ 0.0000465500000000, -0.0005379100000000, -0.0002662300000000 ] - [ 0.0007282900000000, 0.0057148200000000, -0.0068195900000000 ] - [ -0.0015696000000000, 0.0000847500000000, -0.0085382700000000 ] - [ 0.0010287800000000, 0.0009369600000000, -0.0017525900000000 ] - [ -0.0013952200000000, 0.0007996300000000, -0.0025529700000000 ] - [ 0.0065790400000000, -0.0008316300000000, -0.0081578600000000 ] - [ 0.0008307100000000, 0.0004269600000000, -0.0011166800000000 ] - [ -0.0001470600000000, -0.0004298100000000, -0.0048031300000000 ] - [ -0.0004072000000000, 0.0043406600000000, -0.0056039000000000 ] - [ -0.0002059400000000, -0.0007900500000000, -0.0001758300000000 ] - [ 0.0002410700000000, -0.0006664300000000, -0.0005590600000000 ] - [ -0.0021237100000000, -0.0024911000000000, -0.0031931100000000 ] - [ 0.0063500500000000, -0.0090039400000000, -0.0318562700000000 ] - [ -0.0004338600000000, 0.0001683000000000, 0.0012408300000000 ] - [ 0.0002625100000000, 0.0009743500000000, 0.0006699500000000 ] - [ -0.0008540200000000, 0.0005228100000000, -0.0019805200000000 ] - [ -0.0000387900000000, -0.0001034000000000, 0.0006334700000000 ] - [ -0.0000162400000000, 0.0001361400000000, 0.0008915900000000 ] - [ 0.0000225700000000, 0.0001864400000000, 0.0006940100000000 ] - [ 0.0000373300000000, -0.0002959200000000, 0.0007263400000000 ] - [ 0.0002145200000000, 0.0000176500000000, 0.0007760100000000 ] - [ -0.0001024600000000, 0.0000691000000000, 0.0008460400000000 ] - [ -0.0001719400000000, 0.0001392600000000, 0.0006099000000000 ] - [ -0.0001257200000000, -0.0001454100000000, 0.0011006100000000 ] - [ 0.0001174200000000, -0.0003093300000000, 0.0006336100000000 ] - [ 0.0001436800000000, -0.0001409500000000, 0.0010379000000000 ] - [ -0.0001393300000000, 0.0001445400000000, 0.0010380700000000 ] - [ 0.0001196800000000, -0.0000431300000000, 0.0008976800000000 ] - [ 0.0001252000000000, 0.0001644900000000, 0.0011111900000000 ] - [ -0.0001495900000000, -0.0001339600000000, 0.0010023200000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000107000000000, 0.0000119900000000, -0.0000100600000000 ] - [ -0.0765611400000000, -0.0000844900000000, -0.0001134300000000 ] - [ -0.0001879800000000, 0.0054024900000000, 0.0016997200000000 ] - [ 0.0068427200000000, -0.0015481600000000, -0.0000122400000000 ] - [ -0.0010207100000000, -0.0015186800000000, -0.0020388300000000 ] - [ -0.0002142600000000, 0.0055228300000000, -0.0017379300000000 ] - [ -0.0010304300000000, -0.0015573300000000, 0.0020850900000000 ] - [ 0.0005272300000000, -0.0001741500000000, -0.0015956300000000 ] - [ -0.0004881100000000, -0.0001039200000000, -0.0000284000000000 ] - [ -0.0000131500000000, -0.0000801600000000, 0.0000584400000000 ] - [ 0.0005610400000000, -0.0001931400000000, 0.0015770500000000 ] - [ 0.0000462300000000, -0.0000770900000000, -0.0000548400000000 ] - [ -0.0002025900000000, -0.0000000500000000, 0.0000291500000000 ] - [ -0.0000009400000000, 0.0000488200000000, 0.0000881400000000 ] - [ 0.0000038400000000, -0.0000280100000000, -0.0000249500000000 ] - [ -0.0000408000000000, 0.0000337900000000, -0.0000464400000000 ] - [ 0.0071076700000000, -0.0048190700000000, 0.0018382800000000 ] - [ 0.0000059100000000, 0.0000000100000000, -0.0000258900000000 ] - [ -0.0000045000000000, -0.0000085400000000, -0.0000002900000000 ] - [ -0.0000232700000000, -0.0000537300000000, 0.0000291500000000 ] - [ 0.0000429900000000, 0.0000002300000000, 0.0000136800000000 ] - [ -0.0000033000000000, 0.0000490400000000, 0.0000046500000000 ] - [ 0.0000278500000000, -0.0000409300000000, 0.0000286700000000 ] - [ -0.0000957400000000, 0.0000839800000000, -0.0000169700000000 ] - [ 0.0001035900000000, -0.0001038200000000, -0.0000253900000000 ] - [ 0.0005655800000000, -0.0001424400000000, 0.0007872700000000 ] - [ -0.0000584000000000, 0.0000699600000000, -0.0000172100000000 ] - [ 0.0006149800000000, -0.0001428100000000, -0.0008003800000000 ] - [ 0.0007732800000000, -0.0000001200000000, 0.0000348300000000 ] - [ -0.0008809300000000, 0.0018071300000000, 0.0074324700000000 ] - [ 0.0070721700000000, -0.0047694100000000, -0.0018585300000000 ] - [ -0.0009059400000000, 0.0017910000000000, -0.0073272100000000 ] - [ 0.0037555500000000, -0.0054870600000000, 0.0004983100000000 ] - [ 0.0186950400000000, 0.0063484100000000, -0.0048435900000000 ] - [ 0.0199211200000000, 0.0067021600000000, 0.0050935900000000 ] - [ 0.0031591200000000, 0.0014808500000000, 0.0026706200000000 ] - [ 0.0032346100000000, 0.0014999400000000, -0.0028830100000000 ] - [ 0.0036976400000000, -0.0054748000000000, -0.0003900700000000 ] - [ -0.0009595900000000, -0.0005980600000000, -0.0004534100000000 ] - [ -0.0006224900000000, 0.0000623400000000, 0.0001663800000000 ] - [ 0.0002804100000000, -0.0004438500000000, 0.0005299900000000 ] - [ -0.0010037200000000, -0.0005745900000000, 0.0003669600000000 ] - [ -0.0000197000000000, -0.0000943100000000, 0.0001260700000000 ] - [ 0.0002794600000000, -0.0004504100000000, -0.0005119100000000 ] - [ -0.0000498900000000, -0.0001087700000000, -0.0000325300000000 ] - [ -0.0006295500000000, 0.0000647000000000, -0.0001792400000000 ] - [ 0.0005703700000000, 0.0001444800000000, -0.0001189200000000 ] - [ 0.0000457700000000, 0.0000272700000000, -0.0000401300000000 ] - [ -0.0000496900000000, 0.0002334500000000, -0.0004635200000000 ] - [ 0.0005448200000000, 0.0001884400000000, 0.0001393300000000 ] - [ -0.0000184300000000, 0.0002176900000000, 0.0003611700000000 ] - [ 0.0000208200000000, 0.0000120900000000, -0.0000327900000000 ] - [ 0.0000191600000000, 0.0000026000000000, 0.0000171200000000 ] - [ 0.0000244300000000, -0.0000164000000000, 0.0000190600000000 ] - [ -0.0000156200000000, -0.0000111700000000, 0.0000098600000000 ] - [ -0.0000240400000000, -0.0000088000000000, -0.0000001300000000 ] - [ 0.0000007900000000, 0.0000204200000000, 0.0000464500000000 ] - [ -0.0000115900000000, 0.0000112900000000, 0.0000162900000000 ] - [ 0.0000319700000000, -0.0000090500000000, 0.0000012400000000 ] - [ 0.0000321600000000, 0.0000121400000000, 0.0000019400000000 ] - [ -0.0000121200000000, -0.0000091800000000, -0.0000247700000000 ] - [ -0.0000125200000000, -0.0000107400000000, 0.0000471000000000 ] - [ 0.0000138100000000, -0.0000121900000000, -0.0000443400000000 ] - [ 0.0000845700000000, 0.0000785600000000, 0.0002077900000000 ] - [ -0.0000132300000000, 0.0000086100000000, 0.0000250000000000 ] - [ 0.0000014100000000, 0.0000190200000000, -0.0000530100000000 ] - [ 0.0001835800000000, 0.0000697600000000, 0.0004625500000000 ] - [ -0.0000103400000000, 0.0000003100000000, -0.0000161100000000 ] - [ 0.0001554000000000, 0.0000562600000000, -0.0003743500000000 ] - [ 0.0000730800000000, 0.0000748200000000, -0.0002178100000000 ] - [ -0.0000131400000000, 0.0000545400000000, 0.0000540100000000 ] - [ -0.0005348200000000, 0.0004427800000000, 0.0000851900000000 ] - [ 0.0003278200000000, 0.0000803100000000, 0.0000609500000000 ] - [ -0.0000341800000000, 0.0000979600000000, -0.0000403800000000 ] - [ 0.0003559700000000, 0.0000710300000000, -0.0001600600000000 ] - [ -0.0004067000000000, -0.0011630600000000, -0.0015099700000000 ] - [ -0.0004084700000000, -0.0011461800000000, 0.0014863900000000 ] - [ -0.0005509400000000, 0.0003935100000000, -0.0001163500000000 ] - [ 0.0036736400000000, -0.0011143500000000, -0.0004982000000000 ] - [ 0.0036660400000000, -0.0011179500000000, 0.0005393200000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000185700000000, 0.0000115400000000, -0.0000253900000000 ] - [ -0.0000749500000000, -0.0745362100000000, 0.0000934900000000 ] - [ 0.0050455900000000, 0.0073188600000000, 0.0017016800000000 ] - [ 0.0015479200000000, -0.0027687600000000, 0.0000350200000000 ] - [ -0.0010705200000000, -0.0012474800000000, 0.0068500000000000 ] - [ 0.0051474300000000, 0.0074144100000000, -0.0017287200000000 ] - [ -0.0010835100000000, -0.0013069200000000, -0.0068661400000000 ] - [ 0.0000271600000000, 0.0007550800000000, -0.0004604000000000 ] - [ 0.0000003800000000, 0.0001036400000000, -0.0000319800000000 ] - [ -0.0001388200000000, -0.0000541400000000, 0.0000498400000000 ] - [ 0.0000656400000000, 0.0007351100000000, 0.0004350500000000 ] - [ -0.0000813500000000, -0.0000511700000000, -0.0000534500000000 ] - [ -0.0000000500000000, -0.0002026100000000, 0.0000234900000000 ] - [ 0.0000296000000000, 0.0000329000000000, 0.0000217800000000 ] - [ -0.0000045700000000, -0.0000284600000000, -0.0000173900000000 ] - [ -0.0000101400000000, 0.0000177400000000, 0.0000121900000000 ] - [ -0.0060876000000000, 0.0000562300000000, -0.0021308000000000 ] - [ 0.0000000900000000, 0.0000121800000000, -0.0000302800000000 ] - [ 0.0000055800000000, -0.0000446500000000, 0.0000044800000000 ] - [ 0.0000538000000000, 0.0001417800000000, 0.0000246200000000 ] - [ -0.0000534800000000, -0.0000162700000000, 0.0000888700000000 ] - [ 0.0000055000000000, 0.0000128000000000, -0.0000084100000000 ] - [ -0.0000690800000000, -0.0000576000000000, -0.0000543800000000 ] - [ 0.0000514400000000, -0.0000130700000000, 0.0000047700000000 ] - [ 0.0000003800000000, -0.0004879800000000, -0.0000287600000000 ] - [ 0.0002784200000000, 0.0007448400000000, -0.0019478400000000 ] - [ 0.0000895500000000, -0.0000248900000000, -0.0000464700000000 ] - [ 0.0003290100000000, 0.0007515800000000, 0.0019232000000000 ] - [ 0.0000000500000000, 0.0007730900000000, 0.0000338900000000 ] - [ 0.0026062200000000, -0.0015174500000000, 0.0029142100000000 ] - [ -0.0061357000000000, -0.0000056900000000, 0.0021353500000000 ] - [ 0.0025724500000000, -0.0015166200000000, -0.0028844300000000 ] - [ -0.0075850700000000, 0.0206679900000000, -0.0030568400000000 ] - [ 0.0051471600000000, 0.0037902400000000, -0.0010486600000000 ] - [ 0.0051529100000000, 0.0037269200000000, 0.0010391600000000 ] - [ 0.0010024900000000, 0.0028407200000000, 0.0012457300000000 ] - [ 0.0009666400000000, 0.0028185100000000, -0.0012891200000000 ] - [ -0.0072133600000000, 0.0194240500000000, 0.0028973600000000 ] - [ 0.0016362000000000, 0.0013177900000000, -0.0009232800000000 ] - [ -0.0001807700000000, 0.0004653000000000, 0.0003458900000000 ] - [ -0.0004503300000000, -0.0008852400000000, 0.0001436100000000 ] - [ 0.0016551500000000, 0.0013597500000000, 0.0008331000000000 ] - [ -0.0000471600000000, -0.0000270300000000, 0.0000630400000000 ] - [ -0.0004455400000000, -0.0008900500000000, -0.0001166500000000 ] - [ -0.0000761200000000, -0.0000409100000000, 0.0000367800000000 ] - [ -0.0001809400000000, 0.0004660200000000, -0.0003554100000000 ] - [ -0.0001423100000000, 0.0003377000000000, 0.0006706900000000 ] - [ 0.0000195200000000, -0.0000005900000000, 0.0000279200000000 ] - [ -0.0000068400000000, 0.0000993100000000, -0.0001313200000000 ] - [ -0.0001629800000000, 0.0003749100000000, -0.0006370100000000 ] - [ 0.0000242700000000, 0.0000818000000000, 0.0000323000000000 ] - [ -0.0000024600000000, 0.0000124300000000, -0.0000014800000000 ] - [ -0.0000053800000000, 0.0000035500000000, -0.0000079300000000 ] - [ -0.0000011300000000, -0.0000443800000000, -0.0000442700000000 ] - [ 0.0000145200000000, 0.0000064700000000, 0.0000149200000000 ] - [ 0.0000046600000000, 0.0000083100000000, 0.0000008100000000 ] - [ 0.0000129300000000, 0.0000149900000000, 0.0000617400000000 ] - [ -0.0000263500000000, 0.0000053000000000, 0.0000189100000000 ] - [ 0.0000171000000000, -0.0000158300000000, 0.0000047700000000 ] - [ 0.0000278500000000, -0.0000223800000000, -0.0000072900000000 ] - [ -0.0000165500000000, -0.0000429600000000, -0.0000098600000000 ] - [ 0.0000005000000000, -0.0000157700000000, 0.0000362300000000 ] - [ -0.0000039700000000, 0.0000008900000000, -0.0000818800000000 ] - [ -0.0001643200000000, -0.0002606800000000, -0.0005404200000000 ] - [ -0.0000023700000000, 0.0000366300000000, 0.0000251100000000 ] - [ -0.0000171600000000, 0.0000323600000000, -0.0000116700000000 ] - [ -0.0001721800000000, 0.0007006000000000, 0.0001703200000000 ] - [ -0.0000007000000000, 0.0000271000000000, -0.0000103200000000 ] - [ -0.0002025300000000, 0.0006833000000000, -0.0000759500000000 ] - [ -0.0001745100000000, -0.0002652600000000, 0.0005370900000000 ] - [ 0.0000937800000000, -0.0000982000000000, 0.0001114100000000 ] - [ 0.0005627200000000, -0.0001270000000000, 0.0005616300000000 ] - [ -0.0002140400000000, -0.0004450600000000, -0.0002364100000000 ] - [ 0.0000718700000000, -0.0000550900000000, -0.0000896700000000 ] - [ -0.0001879200000000, -0.0004579700000000, 0.0001430200000000 ] - [ 0.0005570600000000, -0.0005417800000000, 0.0002643000000000 ] - [ 0.0005626600000000, -0.0005740500000000, -0.0002866600000000 ] - [ 0.0005385200000000, -0.0001656300000000, -0.0005874900000000 ] - [ -0.0017276900000000, 0.0053909000000000, 0.0025601600000000 ] - [ -0.0016856800000000, 0.0052802500000000, -0.0023335300000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000435600000000, 0.0000105800000000, 0.0014287200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0516714500000000 ] - [ 0.0021832300000000, 0.0018506400000000, -0.0033249100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0057701700000000 ] - [ -0.0023138300000000, 0.0048046500000000, 0.0020529500000000 ] - [ -0.0021832300000000, -0.0018506400000000, -0.0033249100000000 ] - [ 0.0023138300000000, -0.0048046500000000, 0.0020529500000000 ] - [ 0.0000532900000000, -0.0001341100000000, 0.0033016300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011511700000000 ] - [ -0.0000681000000000, -0.0003473600000000, 0.0016569100000000 ] - [ -0.0000532900000000, 0.0001341100000000, 0.0033016300000000 ] - [ 0.0000681000000000, 0.0003473600000000, 0.0016569100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016529200000000 ] - [ 0.0000452700000000, -0.0000255400000000, 0.0014812700000000 ] - [ 0.0000435600000000, -0.0000105800000000, 0.0014287200000000 ] - [ -0.0000452700000000, 0.0000255400000000, 0.0014812700000000 ] - [ 0.0029710100000000, -0.0018562500000000, -0.0045615000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016707200000000 ] - [ -0.0001650000000000, -0.0000109900000000, 0.0015998900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018293900000000 ] - [ -0.0000836200000000, 0.0000491000000000, 0.0014033900000000 ] - [ 0.0001650000000000, 0.0000109900000000, 0.0015998900000000 ] - [ 0.0000836200000000, -0.0000491000000000, 0.0014033900000000 ] - [ -0.0001585200000000, 0.0000537000000000, 0.0014322300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011534200000000 ] - [ 0.0000636300000000, -0.0003791000000000, 0.0039074200000000 ] - [ 0.0001585200000000, -0.0000537000000000, 0.0014322300000000 ] - [ -0.0000636300000000, 0.0003791000000000, 0.0039074200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011583800000000 ] - [ 0.0072297900000000, 0.0034815200000000, 0.0028832500000000 ] - [ -0.0029710100000000, 0.0018562500000000, -0.0045615000000000 ] - [ -0.0072297900000000, -0.0034815200000000, 0.0028832500000000 ] - [ 0.0008819600000000, -0.0060766200000000, 0.0044946500000000 ] - [ -0.0052426800000000, -0.0016637300000000, 0.0066233300000000 ] - [ 0.0052426800000000, 0.0016637300000000, 0.0066233300000000 ] - [ 0.0018013700000000, 0.0012984800000000, 0.0067773300000000 ] - [ -0.0018013700000000, -0.0012984800000000, 0.0067773300000000 ] - [ -0.0008819600000000, 0.0060766200000000, 0.0044946500000000 ] - [ 0.0008178900000000, 0.0000442800000000, 0.0020458400000000 ] - [ 0.0002418300000000, -0.0005658400000000, -0.0011128700000000 ] - [ 0.0001587700000000, 0.0011460000000000, 0.0000870500000000 ] - [ -0.0008178900000000, -0.0000442800000000, 0.0020458400000000 ] - [ 0.0000014200000000, 0.0003259500000000, -0.0007136300000000 ] - [ -0.0001587700000000, -0.0011460000000000, 0.0000870500000000 ] - [ -0.0000014200000000, -0.0003259500000000, -0.0007136300000000 ] - [ -0.0002418300000000, 0.0005658400000000, -0.0011128700000000 ] - [ -0.0000160300000000, 0.0002866400000000, -0.0008086500000000 ] - [ 0.0001640500000000, 0.0000010800000000, -0.0011143500000000 ] - [ 0.0000210600000000, 0.0001081800000000, -0.0012370900000000 ] - [ 0.0000160300000000, -0.0002866400000000, -0.0008086500000000 ] - [ -0.0000210600000000, -0.0001081800000000, -0.0012370900000000 ] - [ -0.0001588300000000, 0.0001777800000000, -0.0012327700000000 ] - [ 0.0001588300000000, -0.0001777800000000, -0.0012327700000000 ] - [ -0.0001640500000000, -0.0000010800000000, -0.0011143500000000 ] - [ -0.0001700200000000, -0.0001716900000000, -0.0012045900000000 ] - [ 0.0001700200000000, 0.0001716900000000, -0.0012045900000000 ] - [ 0.0002040000000000, 0.0001302500000000, -0.0007408200000000 ] - [ -0.0000809100000000, -0.0001183400000000, -0.0010482700000000 ] - [ 0.0000809100000000, 0.0001183400000000, -0.0010482700000000 ] - [ -0.0000644500000000, 0.0001396300000000, -0.0010634000000000 ] - [ 0.0000644500000000, -0.0001396300000000, -0.0010634000000000 ] - [ -0.0002040000000000, -0.0001302500000000, -0.0007408200000000 ] - [ -0.0001674800000000, 0.0001155600000000, -0.0008574600000000 ] - [ 0.0000242000000000, -0.0003095900000000, -0.0016178200000000 ] - [ -0.0001319200000000, -0.0001874700000000, -0.0012314100000000 ] - [ 0.0001674800000000, -0.0001155600000000, -0.0008574600000000 ] - [ 0.0006762200000000, 0.0003383300000000, -0.0005639500000000 ] - [ 0.0001319200000000, 0.0001874700000000, -0.0012314100000000 ] - [ -0.0006762200000000, -0.0003383300000000, -0.0005639500000000 ] - [ -0.0000242000000000, 0.0003095900000000, -0.0016178200000000 ] - [ -0.0002460400000000, -0.0000790700000000, -0.0007199200000000 ] - [ -0.0013959300000000, 0.0008190000000000, 0.0001547200000000 ] - [ -0.0007720500000000, -0.0004062400000000, -0.0009250800000000 ] - [ 0.0002460400000000, 0.0000790700000000, -0.0007199200000000 ] - [ 0.0007720500000000, 0.0004062400000000, -0.0009250800000000 ] - [ 0.0003224900000000, -0.0006203100000000, 0.0026809500000000 ] - [ -0.0003224900000000, 0.0006203100000000, 0.0026809500000000 ] - [ 0.0013959300000000, -0.0008190000000000, 0.0001547200000000 ] - [ -0.0008029600000000, 0.0034661100000000, 0.0056381500000000 ] - [ 0.0008029600000000, -0.0034661100000000, 0.0056381500000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000293500000000, 0.0000294900000000, -0.0014651700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0516639900000000 ] - [ -0.0021609300000000, -0.0019179500000000, 0.0033545300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058432900000000 ] - [ 0.0023569500000000, -0.0048131700000000, -0.0020540700000000 ] - [ 0.0021609300000000, 0.0019179500000000, 0.0033545300000000 ] - [ -0.0023569500000000, 0.0048131700000000, -0.0020540700000000 ] - [ -0.0000906400000000, 0.0001561300000000, -0.0033381400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012085300000000 ] - [ 0.0000103200000000, 0.0003428800000000, -0.0016549600000000 ] - [ 0.0000906400000000, -0.0001561300000000, -0.0033381400000000 ] - [ -0.0000103200000000, -0.0003428800000000, -0.0016549600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015942200000000 ] - [ -0.0000054900000000, 0.0000406500000000, -0.0014405700000000 ] - [ -0.0000293500000000, -0.0000294900000000, -0.0014651700000000 ] - [ 0.0000054900000000, -0.0000406500000000, -0.0014405700000000 ] - [ -0.0029721400000000, 0.0019091800000000, 0.0044694600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017231100000000 ] - [ 0.0001638000000000, -0.0000468200000000, -0.0015959600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017725800000000 ] - [ 0.0000991000000000, -0.0000069200000000, -0.0013621200000000 ] - [ -0.0001638000000000, 0.0000468200000000, -0.0015959600000000 ] - [ -0.0000991000000000, 0.0000069200000000, -0.0013621200000000 ] - [ 0.0001213400000000, -0.0000411700000000, -0.0014659200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012062300000000 ] - [ -0.0001089600000000, 0.0003735600000000, -0.0038960800000000 ] - [ -0.0001213400000000, 0.0000411700000000, -0.0014659200000000 ] - [ 0.0001089600000000, -0.0003735600000000, -0.0038960800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012061900000000 ] - [ -0.0071089400000000, -0.0034190100000000, -0.0027728600000000 ] - [ 0.0029721400000000, -0.0019091800000000, 0.0044694600000000 ] - [ 0.0071089400000000, 0.0034190100000000, -0.0027728600000000 ] - [ -0.0008916800000000, 0.0060877100000000, -0.0043557400000000 ] - [ 0.0052640500000000, 0.0016806200000000, -0.0066761400000000 ] - [ -0.0052640500000000, -0.0016806200000000, -0.0066761400000000 ] - [ -0.0020129100000000, -0.0013763800000000, -0.0072956800000000 ] - [ 0.0020129100000000, 0.0013763800000000, -0.0072956800000000 ] - [ 0.0008916800000000, -0.0060877100000000, -0.0043557400000000 ] - [ -0.0008085100000000, -0.0000709400000000, -0.0021502700000000 ] - [ -0.0002351300000000, 0.0005650400000000, 0.0011037000000000 ] - [ -0.0001624800000000, -0.0011579700000000, -0.0000653600000000 ] - [ 0.0008085100000000, 0.0000709400000000, -0.0021502700000000 ] - [ 0.0000285500000000, -0.0003115600000000, 0.0008088800000000 ] - [ 0.0001624800000000, 0.0011579700000000, -0.0000653600000000 ] - [ -0.0000285500000000, 0.0003115600000000, 0.0008088800000000 ] - [ 0.0002351300000000, -0.0005650400000000, 0.0011037000000000 ] - [ 0.0000390200000000, -0.0003314800000000, 0.0008304000000000 ] - [ -0.0001428100000000, 0.0000426700000000, 0.0010940600000000 ] - [ -0.0000522900000000, -0.0000912400000000, 0.0011336100000000 ] - [ -0.0000390200000000, 0.0003314800000000, 0.0008304000000000 ] - [ 0.0000522900000000, 0.0000912400000000, 0.0011336100000000 ] - [ 0.0001602100000000, -0.0001684800000000, 0.0012178200000000 ] - [ -0.0001602100000000, 0.0001684800000000, 0.0012178200000000 ] - [ 0.0001428100000000, -0.0000426700000000, 0.0010940600000000 ] - [ 0.0001786700000000, 0.0001696800000000, 0.0012147700000000 ] - [ -0.0001786700000000, -0.0001696800000000, 0.0012147700000000 ] - [ -0.0001908400000000, -0.0000991400000000, 0.0008351000000000 ] - [ 0.0000373300000000, 0.0001390500000000, 0.0010675400000000 ] - [ -0.0000373300000000, -0.0001390500000000, 0.0010675400000000 ] - [ 0.0001083400000000, -0.0001182300000000, 0.0010407600000000 ] - [ -0.0001083400000000, 0.0001182300000000, 0.0010407600000000 ] - [ 0.0001908400000000, 0.0000991400000000, 0.0008351000000000 ] - [ 0.0001795500000000, -0.0001468600000000, 0.0007603400000000 ] - [ -0.0000121000000000, 0.0003142300000000, 0.0016107100000000 ] - [ 0.0001300000000000, 0.0001955900000000, 0.0012395400000000 ] - [ -0.0001795500000000, 0.0001468600000000, 0.0007603400000000 ] - [ -0.0006405200000000, -0.0003198200000000, 0.0006532300000000 ] - [ -0.0001300000000000, -0.0001955900000000, 0.0012395400000000 ] - [ 0.0006405200000000, 0.0003198200000000, 0.0006532300000000 ] - [ 0.0000121000000000, -0.0003142300000000, 0.0016107100000000 ] - [ 0.0002672400000000, 0.0000363300000000, 0.0007386700000000 ] - [ 0.0013971900000000, -0.0007642700000000, -0.0001823300000000 ] - [ 0.0007392600000000, 0.0004159300000000, 0.0008212500000000 ] - [ -0.0002672400000000, -0.0000363300000000, 0.0007386700000000 ] - [ -0.0007392600000000, -0.0004159300000000, 0.0008212500000000 ] - [ -0.0003224000000000, 0.0006279300000000, -0.0026752000000000 ] - [ 0.0003224000000000, -0.0006279300000000, -0.0026752000000000 ] - [ -0.0013971900000000, 0.0007642700000000, -0.0001823300000000 ] - [ 0.0007174300000000, -0.0032227700000000, -0.0051521700000000 ] - [ -0.0007174300000000, 0.0032227700000000, -0.0051521700000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000111400000000, 0.0000103600000000, -0.0001734300000000 ] - [ -0.0002062000000000, 0.0051380000000000, 0.0021490600000000 ] - [ -0.0734241500000000, -0.0001546300000000, 0.0007246500000000 ] - [ -0.0001962200000000, -0.0050543000000000, 0.0021949100000000 ] - [ 0.0068818800000000, 0.0020625300000000, -0.0048644400000000 ] - [ 0.0080121700000000, -0.0000147400000000, -0.0015341300000000 ] - [ -0.0014155200000000, -0.0029695900000000, -0.0023039300000000 ] - [ 0.0004827900000000, -0.0003882500000000, -0.0000875500000000 ] - [ 0.0007424100000000, -0.0001408900000000, -0.0004015100000000 ] - [ -0.0000013300000000, -0.0002641900000000, 0.0001225200000000 ] - [ -0.0012302500000000, 0.0009116900000000, -0.0007006300000000 ] - [ -0.0000147900000000, 0.0002635700000000, 0.0004992200000000 ] - [ -0.0000531700000000, 0.0000791700000000, -0.0003178600000000 ] - [ 0.0000027800000000, 0.0000542900000000, -0.0002406300000000 ] - [ 0.0000072100000000, -0.0000055500000000, -0.0001943500000000 ] - [ -0.0000004700000000, -0.0000667900000000, -0.0001124200000000 ] - [ 0.0068450100000000, -0.0019886300000000, -0.0047904700000000 ] - [ -0.0000038400000000, 0.0000052400000000, -0.0001922000000000 ] - [ 0.0000251600000000, -0.0000287700000000, -0.0001535100000000 ] - [ -0.0000041600000000, -0.0000055400000000, -0.0001364600000000 ] - [ 0.0000257300000000, 0.0000300500000000, -0.0001358700000000 ] - [ -0.0000552700000000, 0.0000287500000000, -0.0001879900000000 ] - [ -0.0000070800000000, -0.0000350900000000, -0.0001561500000000 ] - [ -0.0000367100000000, -0.0000408000000000, -0.0002800200000000 ] - [ -0.0000524300000000, -0.0000778400000000, -0.0003724100000000 ] - [ -0.0000739500000000, -0.0002673800000000, 0.0005061200000000 ] - [ 0.0000405600000000, 0.0000528900000000, -0.0001505400000000 ] - [ 0.0000551700000000, 0.0002668300000000, 0.0001226100000000 ] - [ 0.0007538500000000, 0.0001441300000000, -0.0003508000000000 ] - [ 0.0005233400000000, 0.0004031400000000, -0.0000458900000000 ] - [ -0.0013983200000000, 0.0029311900000000, -0.0023419500000000 ] - [ -0.0012893900000000, -0.0009385600000000, -0.0006797900000000 ] - [ 0.0041566300000000, -0.0031835600000000, 0.0016584000000000 ] - [ 0.0027968100000000, -0.0014695300000000, -0.0005567400000000 ] - [ -0.0012392400000000, 0.0000304700000000, 0.0005797100000000 ] - [ 0.0028345800000000, 0.0015292400000000, -0.0005960500000000 ] - [ -0.0012888800000000, -0.0000657800000000, 0.0005616000000000 ] - [ 0.0202343600000000, 0.0054086400000000, 0.0082770600000000 ] - [ 0.0190836900000000, -0.0052053600000000, 0.0077893000000000 ] - [ 0.0003384900000000, 0.0002717200000000, -0.0014199000000000 ] - [ -0.0005853000000000, -0.0002713500000000, -0.0003522700000000 ] - [ 0.0040134200000000, 0.0029931600000000, 0.0015160600000000 ] - [ -0.0000898500000000, 0.0000001400000000, 0.0001762300000000 ] - [ 0.0017127200000000, -0.0010898200000000, -0.0030332400000000 ] - [ 0.0003126000000000, 0.0000218500000000, 0.0006025500000000 ] - [ 0.0006317200000000, -0.0002173200000000, -0.0005373600000000 ] - [ -0.0002125900000000, 0.0001422700000000, 0.0003608000000000 ] - [ 0.0000028100000000, 0.0000291900000000, 0.0000835100000000 ] - [ 0.0001543400000000, -0.0000272500000000, 0.0000046300000000 ] - [ 0.0000898500000000, -0.0004459200000000, 0.0009804100000000 ] - [ -0.0001631300000000, 0.0000618400000000, -0.0000355000000000 ] - [ 0.0000431500000000, -0.0000274800000000, 0.0001290200000000 ] - [ -0.0000561700000000, -0.0000008400000000, 0.0000905900000000 ] - [ -0.0000280200000000, -0.0000262800000000, 0.0001420500000000 ] - [ 0.0001212600000000, -0.0000297900000000, 0.0000171500000000 ] - [ -0.0000401200000000, 0.0000357100000000, 0.0000871400000000 ] - [ -0.0000035300000000, 0.0000105500000000, 0.0001268600000000 ] - [ -0.0000275700000000, 0.0000273400000000, 0.0001233800000000 ] - [ 0.0000298200000000, -0.0000135900000000, 0.0001533200000000 ] - [ 0.0000158600000000, -0.0000060300000000, 0.0001022800000000 ] - [ -0.0000139400000000, -0.0000072600000000, 0.0001323400000000 ] - [ 0.0000099200000000, -0.0000126100000000, 0.0001289900000000 ] - [ 0.0000228600000000, -0.0000182300000000, 0.0000333400000000 ] - [ -0.0000306200000000, -0.0000341100000000, 0.0000747000000000 ] - [ 0.0000414400000000, 0.0000369700000000, 0.0001417300000000 ] - [ -0.0000164300000000, 0.0000203300000000, 0.0000311400000000 ] - [ 0.0001861100000000, 0.0000395100000000, 0.0001005300000000 ] - [ -0.0000543300000000, -0.0000083900000000, 0.0001028700000000 ] - [ -0.0001941500000000, -0.0000762000000000, 0.0000587600000000 ] - [ 0.0001127300000000, 0.0000287400000000, 0.0000032000000000 ] - [ -0.0000071000000000, -0.0000164800000000, 0.0001633200000000 ] - [ 0.0001041400000000, 0.0004861500000000, 0.0009486600000000 ] - [ -0.0001222900000000, 0.0000122900000000, 0.0000796800000000 ] - [ -0.0000186600000000, 0.0000138400000000, 0.0001068000000000 ] - [ 0.0003450400000000, -0.0000350100000000, 0.0005103000000000 ] - [ -0.0006121000000000, 0.0002781100000000, -0.0003767800000000 ] - [ 0.0017214800000000, 0.0011160200000000, -0.0030625700000000 ] - [ -0.0002385800000000, -0.0001825600000000, 0.0003410600000000 ] - [ 0.0006434800000000, 0.0002125300000000, -0.0005312300000000 ] - [ 0.0003373200000000, -0.0002761200000000, -0.0014319500000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000166500000000, 0.0000024200000000, -0.0000479800000000 ] - [ 0.0054977700000000, 0.0073837400000000, 0.0018708800000000 ] - [ 0.0000000000000000, -0.0462939000000000, 0.0000000000000000 ] - [ -0.0054977700000000, 0.0073837400000000, -0.0018708800000000 ] - [ 0.0019308400000000, -0.0001223500000000, -0.0014654100000000 ] - [ 0.0000000000000000, -0.0041520300000000, 0.0000000000000000 ] - [ -0.0026603500000000, 0.0081619000000000, 0.0076830600000000 ] - [ 0.0003167100000000, -0.0001151300000000, 0.0000739400000000 ] - [ 0.0003021000000000, 0.0005967200000000, 0.0000616300000000 ] - [ -0.0000698400000000, -0.0000408500000000, 0.0002342400000000 ] - [ -0.0005005600000000, -0.0014742400000000, -0.0029388100000000 ] - [ 0.0000707000000000, 0.0000268700000000, -0.0001093100000000 ] - [ 0.0001104200000000, 0.0000162100000000, 0.0000674100000000 ] - [ -0.0000122500000000, -0.0000271000000000, 0.0000133800000000 ] - [ 0.0000026100000000, -0.0000010900000000, -0.0000538800000000 ] - [ 0.0000525200000000, -0.0000765700000000, 0.0000125900000000 ] - [ -0.0019308400000000, -0.0001223500000000, 0.0014654100000000 ] - [ 0.0000204000000000, -0.0000154800000000, -0.0000100000000000 ] - [ 0.0000000000000000, -0.0000340500000000, 0.0000000000000000 ] - [ -0.0000204000000000, -0.0000154800000000, 0.0000100000000000 ] - [ 0.0000166500000000, 0.0000024200000000, 0.0000479800000000 ] - [ 0.0000000000000000, 0.0000403900000000, 0.0000000000000000 ] - [ -0.0000026100000000, -0.0000010900000000, 0.0000538800000000 ] - [ 0.0000122500000000, -0.0000271000000000, -0.0000133800000000 ] - [ -0.0001104200000000, 0.0000162100000000, -0.0000674100000000 ] - [ -0.0000707000000000, 0.0000268700000000, 0.0001093100000000 ] - [ -0.0000525200000000, -0.0000765700000000, -0.0000125900000000 ] - [ 0.0000698400000000, -0.0000408500000000, -0.0002342400000000 ] - [ -0.0003021000000000, 0.0005967200000000, -0.0000616300000000 ] - [ -0.0003167100000000, -0.0001151300000000, -0.0000739400000000 ] - [ 0.0026603500000000, 0.0081619000000000, -0.0076830600000000 ] - [ 0.0005005600000000, -0.0014742400000000, 0.0029388100000000 ] - [ -0.0029461100000000, 0.0046398300000000, -0.0025785500000000 ] - [ -0.0006549600000000, 0.0007291800000000, 0.0000653600000000 ] - [ 0.0005038000000000, -0.0015173800000000, 0.0005265600000000 ] - [ 0.0006549600000000, 0.0007291800000000, -0.0000653600000000 ] - [ -0.0005038000000000, -0.0015173800000000, -0.0005265600000000 ] - [ 0.0064316900000000, 0.0045343200000000, 0.0023023600000000 ] - [ -0.0064316900000000, 0.0045343200000000, -0.0023023600000000 ] - [ 0.0003018500000000, 0.0000118800000000, -0.0000025700000000 ] - [ 0.0001570700000000, 0.0007710900000000, -0.0003988000000000 ] - [ 0.0029461100000000, 0.0046398300000000, 0.0025785500000000 ] - [ 0.0000113400000000, 0.0000121200000000, 0.0000515400000000 ] - [ -0.0012770700000000, 0.0031925200000000, 0.0038315500000000 ] - [ -0.0000007000000000, 0.0000221500000000, 0.0000306700000000 ] - [ 0.0001459500000000, -0.0008192200000000, -0.0004681600000000 ] - [ -0.0001567000000000, -0.0005948900000000, -0.0000043700000000 ] - [ 0.0000074500000000, 0.0000205300000000, 0.0001054600000000 ] - [ 0.0000140200000000, -0.0002956400000000, 0.0001656200000000 ] - [ 0.0001234200000000, 0.0002223100000000, -0.0000694900000000 ] - [ -0.0000059400000000, -0.0000358700000000, -0.0001214900000000 ] - [ 0.0000168500000000, 0.0000102400000000, -0.0000212500000000 ] - [ -0.0000083100000000, -0.0000042100000000, -0.0000140700000000 ] - [ -0.0000107300000000, -0.0000260000000000, 0.0001210800000000 ] - [ -0.0000007100000000, 0.0000101100000000, 0.0000143200000000 ] - [ -0.0000174700000000, 0.0000190300000000, -0.0000672000000000 ] - [ -0.0000041200000000, 0.0000130000000000, 0.0000493000000000 ] - [ -0.0000364800000000, 0.0000181100000000, 0.0000187000000000 ] - [ 0.0000279500000000, -0.0000098300000000, 0.0000067700000000 ] - [ 0.0000364800000000, 0.0000181100000000, -0.0000187000000000 ] - [ -0.0000279500000000, -0.0000098300000000, -0.0000067700000000 ] - [ 0.0000030000000000, -0.0000186100000000, 0.0000356300000000 ] - [ -0.0000030000000000, -0.0000186100000000, -0.0000356300000000 ] - [ 0.0000174700000000, 0.0000190300000000, 0.0000672000000000 ] - [ -0.0000168500000000, 0.0000102400000000, 0.0000212500000000 ] - [ 0.0000041200000000, 0.0000130000000000, -0.0000493000000000 ] - [ -0.0000140200000000, -0.0002956400000000, -0.0001656200000000 ] - [ 0.0000083100000000, -0.0000042100000000, 0.0000140700000000 ] - [ 0.0000059400000000, -0.0000358700000000, 0.0001214900000000 ] - [ 0.0000007100000000, 0.0000101100000000, -0.0000143200000000 ] - [ 0.0000107300000000, -0.0000260000000000, -0.0001210800000000 ] - [ -0.0001234200000000, 0.0002223100000000, 0.0000694900000000 ] - [ -0.0000113400000000, 0.0000121200000000, -0.0000515400000000 ] - [ -0.0000074500000000, 0.0000205300000000, -0.0001054600000000 ] - [ 0.0000007000000000, 0.0000221500000000, -0.0000306700000000 ] - [ -0.0001570700000000, 0.0007710900000000, 0.0003988000000000 ] - [ 0.0012770700000000, 0.0031925200000000, -0.0038315500000000 ] - [ 0.0001567000000000, -0.0005948900000000, 0.0000043700000000 ] - [ -0.0001459500000000, -0.0008192200000000, 0.0004681600000000 ] - [ -0.0003018500000000, 0.0000118800000000, 0.0000025700000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000019100000000, 0.0000383700000000, 0.0000099800000000 ] - [ -0.0054273600000000, -0.0073506900000000, -0.0018980300000000 ] - [ 0.0000000000000000, 0.0466334000000000, 0.0000000000000000 ] - [ 0.0054273600000000, -0.0073506900000000, 0.0018980300000000 ] - [ -0.0018988500000000, 0.0001301100000000, 0.0015325100000000 ] - [ 0.0000000000000000, 0.0042316200000000, 0.0000000000000000 ] - [ 0.0026811500000000, -0.0083005300000000, -0.0077418500000000 ] - [ -0.0003614400000000, 0.0001264100000000, -0.0001196400000000 ] - [ -0.0003052100000000, -0.0005843000000000, -0.0001108100000000 ] - [ 0.0000118800000000, 0.0000470700000000, -0.0002439000000000 ] - [ 0.0005445700000000, 0.0014476300000000, 0.0028878400000000 ] - [ -0.0000110700000000, -0.0000276600000000, 0.0001118300000000 ] - [ -0.0001096200000000, -0.0000172800000000, -0.0000110400000000 ] - [ 0.0000518900000000, 0.0000401300000000, 0.0000259100000000 ] - [ 0.0000120100000000, -0.0000394900000000, 0.0000157600000000 ] - [ -0.0000932100000000, 0.0000623600000000, 0.0000257800000000 ] - [ 0.0018988500000000, 0.0001301100000000, -0.0015325100000000 ] - [ -0.0000201200000000, 0.0000159900000000, -0.0000458600000000 ] - [ 0.0000000000000000, -0.0000236600000000, 0.0000000000000000 ] - [ 0.0000201200000000, 0.0000159900000000, 0.0000458600000000 ] - [ -0.0000019100000000, 0.0000383700000000, -0.0000099800000000 ] - [ 0.0000000000000000, 0.0000170900000000, 0.0000000000000000 ] - [ -0.0000120100000000, -0.0000394900000000, -0.0000157600000000 ] - [ -0.0000518900000000, 0.0000401300000000, -0.0000259100000000 ] - [ 0.0001096200000000, -0.0000172800000000, 0.0000110400000000 ] - [ 0.0000110700000000, -0.0000276600000000, -0.0001118300000000 ] - [ 0.0000932100000000, 0.0000623600000000, -0.0000257800000000 ] - [ -0.0000118800000000, 0.0000470700000000, 0.0002439000000000 ] - [ 0.0003052100000000, -0.0005843000000000, 0.0001108100000000 ] - [ 0.0003614400000000, 0.0001264100000000, 0.0001196400000000 ] - [ -0.0026811500000000, -0.0083005300000000, 0.0077418500000000 ] - [ -0.0005445700000000, 0.0014476300000000, -0.0028878400000000 ] - [ 0.0032308900000000, -0.0051360300000000, 0.0028055900000000 ] - [ 0.0005503700000000, -0.0003202900000000, 0.0001154300000000 ] - [ -0.0004401300000000, 0.0014972900000000, -0.0005111700000000 ] - [ -0.0005503700000000, -0.0003202900000000, -0.0001154300000000 ] - [ 0.0004401300000000, 0.0014972900000000, 0.0005111700000000 ] - [ -0.0064729800000000, -0.0046325000000000, -0.0021732300000000 ] - [ 0.0064729800000000, -0.0046325000000000, 0.0021732300000000 ] - [ -0.0002888600000000, -0.0000053800000000, -0.0000114300000000 ] - [ -0.0001573700000000, -0.0007721300000000, 0.0004157800000000 ] - [ -0.0032308900000000, -0.0051360300000000, -0.0028055900000000 ] - [ 0.0000210000000000, -0.0000010000000000, 0.0000448900000000 ] - [ 0.0012656400000000, -0.0031173900000000, -0.0037267300000000 ] - [ -0.0000338900000000, -0.0000361300000000, 0.0000581100000000 ] - [ -0.0001494300000000, 0.0008227900000000, 0.0004796200000000 ] - [ 0.0001736900000000, 0.0005516600000000, 0.0000312700000000 ] - [ 0.0000136500000000, 0.0000222100000000, -0.0001262900000000 ] - [ -0.0000449800000000, 0.0003076800000000, -0.0002573800000000 ] - [ -0.0001440200000000, -0.0001680500000000, 0.0000836900000000 ] - [ 0.0000385400000000, 0.0000253100000000, 0.0000267000000000 ] - [ -0.0000152300000000, -0.0000007100000000, 0.0000089500000000 ] - [ 0.0000064300000000, -0.0000049100000000, 0.0000017200000000 ] - [ -0.0000102500000000, -0.0000172800000000, -0.0001414800000000 ] - [ 0.0000093900000000, -0.0000119700000000, -0.0000026600000000 ] - [ 0.0000087900000000, -0.0000179600000000, 0.0000812900000000 ] - [ 0.0000172100000000, 0.0000180700000000, 0.0000461900000000 ] - [ -0.0000071700000000, 0.0000030700000000, 0.0000018300000000 ] - [ 0.0000158100000000, -0.0000113600000000, 0.0000134200000000 ] - [ 0.0000071700000000, 0.0000030700000000, -0.0000018300000000 ] - [ -0.0000158100000000, -0.0000113600000000, -0.0000134200000000 ] - [ -0.0000160100000000, -0.0000123300000000, 0.0000600300000000 ] - [ 0.0000160100000000, -0.0000123300000000, -0.0000600300000000 ] - [ -0.0000087900000000, -0.0000179600000000, -0.0000812900000000 ] - [ 0.0000152300000000, -0.0000007100000000, -0.0000089500000000 ] - [ -0.0000172100000000, 0.0000180700000000, -0.0000461900000000 ] - [ 0.0000449800000000, 0.0003076800000000, 0.0002573800000000 ] - [ -0.0000064300000000, -0.0000049100000000, -0.0000017200000000 ] - [ -0.0000385400000000, 0.0000253100000000, -0.0000267000000000 ] - [ -0.0000093900000000, -0.0000119700000000, 0.0000026600000000 ] - [ 0.0000102500000000, -0.0000172800000000, 0.0001414800000000 ] - [ 0.0001440200000000, -0.0001680500000000, -0.0000836900000000 ] - [ -0.0000210000000000, -0.0000010000000000, -0.0000448900000000 ] - [ -0.0000136500000000, 0.0000222100000000, 0.0001262900000000 ] - [ 0.0000338900000000, -0.0000361300000000, -0.0000581100000000 ] - [ 0.0001573700000000, -0.0007721300000000, -0.0004157800000000 ] - [ -0.0012656400000000, -0.0031173900000000, 0.0037267300000000 ] - [ -0.0001736900000000, 0.0005516600000000, -0.0000312700000000 ] - [ 0.0001494300000000, 0.0008227900000000, -0.0004796200000000 ] - [ 0.0002888600000000, -0.0000053800000000, 0.0000114300000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000919700000000, 0.0000189400000000, 0.0013776800000000 ] - [ 0.0017196200000000, 0.0017144500000000, -0.0033718400000000 ] - [ 0.0007336100000000, 0.0000417700000000, -0.0597799500000000 ] - [ 0.0017181400000000, -0.0017156900000000, -0.0033079400000000 ] - [ -0.0063490500000000, -0.0023350200000000, -0.0030289000000000 ] - [ 0.0015341100000000, 0.0000341300000000, -0.0049182600000000 ] - [ -0.0017153800000000, 0.0081310400000000, -0.0016858700000000 ] - [ -0.0001997000000000, 0.0001987200000000, -0.0002870000000000 ] - [ -0.0019379300000000, 0.0007975300000000, 0.0038648600000000 ] - [ 0.0000813900000000, 0.0005020700000000, 0.0009845700000000 ] - [ 0.0015317000000000, -0.0039492300000000, 0.0029404100000000 ] - [ 0.0002688700000000, -0.0001227000000000, 0.0009848500000000 ] - [ 0.0000510800000000, -0.0000557800000000, 0.0016821100000000 ] - [ -0.0000501600000000, -0.0001042000000000, 0.0016594200000000 ] - [ 0.0000694900000000, -0.0000172800000000, 0.0013676400000000 ] - [ -0.0000376200000000, 0.0000520700000000, 0.0012777000000000 ] - [ -0.0064242900000000, 0.0024014300000000, -0.0030970200000000 ] - [ -0.0000022900000000, 0.0000064700000000, 0.0015698500000000 ] - [ -0.0001536200000000, -0.0000288200000000, 0.0014847900000000 ] - [ -0.0000024400000000, -0.0000063900000000, 0.0016254000000000 ] - [ -0.0000777000000000, 0.0000217700000000, 0.0014155000000000 ] - [ 0.0001882200000000, 0.0000287800000000, 0.0015502400000000 ] - [ 0.0000552000000000, -0.0000233100000000, 0.0014062000000000 ] - [ -0.0000904900000000, 0.0001177200000000, 0.0016214200000000 ] - [ 0.0000521500000000, 0.0000576500000000, 0.0016290200000000 ] - [ 0.0002093000000000, 0.0001221700000000, 0.0009841300000000 ] - [ 0.0000033400000000, -0.0000659100000000, 0.0012392700000000 ] - [ 0.0001395800000000, -0.0005030900000000, 0.0009844900000000 ] - [ -0.0019329400000000, -0.0007902700000000, 0.0039378700000000 ] - [ -0.0001582100000000, -0.0001863400000000, -0.0002504300000000 ] - [ -0.0017106900000000, -0.0082711000000000, -0.0017335700000000 ] - [ 0.0014934200000000, 0.0039780100000000, 0.0029848500000000 ] - [ 0.0002711800000000, -0.0026584000000000, 0.0049391700000000 ] - [ -0.0009775600000000, 0.0014782900000000, 0.0043621200000000 ] - [ 0.0000394200000000, -0.0010139300000000, 0.0021590500000000 ] - [ -0.0009055300000000, -0.0013163200000000, 0.0042540800000000 ] - [ -0.0000087300000000, 0.0009895500000000, 0.0021309300000000 ] - [ 0.0069164500000000, 0.0022467700000000, 0.0043713500000000 ] - [ 0.0069730800000000, -0.0022996700000000, 0.0043564200000000 ] - [ -0.0008475000000000, 0.0001058000000000, 0.0008948900000000 ] - [ 0.0021613000000000, -0.0011826900000000, 0.0022233300000000 ] - [ 0.0002640600000000, 0.0026767800000000, 0.0048445300000000 ] - [ 0.0003171500000000, -0.0000913300000000, -0.0002536500000000 ] - [ -0.0027217500000000, 0.0051412300000000, 0.0159645400000000 ] - [ -0.0004689300000000, -0.0002706500000000, -0.0009556100000000 ] - [ -0.0004384200000000, -0.0000657900000000, 0.0005854200000000 ] - [ 0.0001493200000000, -0.0003927800000000, -0.0007169400000000 ] - [ 0.0000980200000000, -0.0002288500000000, -0.0010753800000000 ] - [ -0.0000329300000000, -0.0002176000000000, -0.0008802500000000 ] - [ 0.0012591200000000, 0.0008739400000000, -0.0009456400000000 ] - [ 0.0001290300000000, 0.0004006500000000, -0.0005709000000000 ] - [ -0.0001568500000000, 0.0002091900000000, -0.0011917700000000 ] - [ 0.0001843900000000, -0.0001528000000000, -0.0011037600000000 ] - [ -0.0000409600000000, 0.0001804700000000, -0.0010211600000000 ] - [ -0.0003140100000000, -0.0001394600000000, -0.0011001300000000 ] - [ 0.0000966100000000, 0.0000654900000000, -0.0011079600000000 ] - [ 0.0001825200000000, 0.0001232400000000, -0.0007277500000000 ] - [ -0.0000591000000000, -0.0001190400000000, -0.0009506100000000 ] - [ 0.0000699100000000, 0.0000862500000000, -0.0010426600000000 ] - [ -0.0000155300000000, 0.0001402400000000, -0.0009713600000000 ] - [ 0.0000263400000000, -0.0001069300000000, -0.0010634100000000 ] - [ -0.0001772900000000, -0.0001165900000000, -0.0007210600000000 ] - [ -0.0001643600000000, 0.0000857300000000, -0.0008169800000000 ] - [ 0.0001060400000000, -0.0000633800000000, -0.0011208800000000 ] - [ -0.0001584600000000, -0.0002002900000000, -0.0011793500000000 ] - [ 0.0001695100000000, -0.0000922700000000, -0.0008233900000000 ] - [ -0.0000032400000000, 0.0002316100000000, -0.0007868900000000 ] - [ 0.0001865400000000, 0.0001435900000000, -0.0010913000000000 ] - [ 0.0000999000000000, -0.0004155600000000, -0.0004756500000000 ] - [ -0.0003236100000000, 0.0001378500000000, -0.0011123900000000 ] - [ -0.0000201500000000, -0.0002240700000000, -0.0010000300000000 ] - [ 0.0012907600000000, -0.0008330000000000, -0.0009730200000000 ] - [ 0.0002837800000000, 0.0001035600000000, -0.0003472300000000 ] - [ 0.0000778300000000, 0.0002723000000000, -0.0010522300000000 ] - [ -0.0004328900000000, 0.0002601300000000, -0.0010500800000000 ] - [ 0.0021927900000000, 0.0012079300000000, 0.0022195000000000 ] - [ -0.0030324200000000, -0.0053264000000000, 0.0170294500000000 ] - [ 0.0001282400000000, 0.0003513600000000, -0.0007392300000000 ] - [ -0.0004299300000000, 0.0000680900000000, 0.0006009300000000 ] - [ -0.0008579000000000, -0.0001018300000000, 0.0009214700000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000272300000000, 0.0000233000000000, 0.0000903300000000 ] - [ 0.0037200700000000, -0.0074123900000000, 0.0008685400000000 ] - [ 0.0040265200000000, -0.0030116200000000, 0.0002528600000000 ] - [ -0.0009997600000000, -0.0016404800000000, -0.0007834900000000 ] - [ 0.0006880800000000, 0.0004118500000000, 0.0008649900000000 ] - [ 0.0202244600000000, 0.0066104700000000, -0.0070849300000000 ] - [ 0.0065603200000000, 0.0010328700000000, 0.0062245500000000 ] - [ -0.0001518300000000, 0.0000738600000000, 0.0014929800000000 ] - [ 0.0006972600000000, 0.0000630100000000, 0.0003012200000000 ] - [ -0.0003307600000000, 0.0000334700000000, 0.0002225500000000 ] - [ -0.0004382700000000, 0.0001859700000000, -0.0003044200000000 ] - [ -0.0000021300000000, -0.0000688000000000, 0.0004095000000000 ] - [ 0.0000906600000000, -0.0002271000000000, -0.0000746600000000 ] - [ -0.0000006100000000, 0.0000124000000000, 0.0001507100000000 ] - [ 0.0000317400000000, -0.0000304000000000, 0.0001484700000000 ] - [ 0.0000730500000000, 0.0000191600000000, 0.0003222000000000 ] - [ -0.0013492800000000, 0.0003359200000000, -0.0008448700000000 ] - [ -0.0000057600000000, 0.0000069200000000, 0.0001687000000000 ] - [ -0.0000094300000000, -0.0000392700000000, 0.0001752300000000 ] - [ 0.0000077800000000, 0.0000106100000000, 0.0002004300000000 ] - [ 0.0000149400000000, 0.0000136800000000, 0.0002198700000000 ] - [ 0.0000157600000000, 0.0000379000000000, 0.0001698700000000 ] - [ -0.0000143300000000, -0.0000182700000000, 0.0001768700000000 ] - [ -0.0000007000000000, 0.0000267500000000, 0.0001732000000000 ] - [ -0.0000332700000000, -0.0001005400000000, 0.0002886200000000 ] - [ -0.0000219600000000, -0.0000069100000000, -0.0000983100000000 ] - [ -0.0000327800000000, -0.0000047700000000, 0.0000900100000000 ] - [ 0.0000559900000000, 0.0000295900000000, 0.0002668900000000 ] - [ -0.0004534600000000, -0.0000776800000000, 0.0004368500000000 ] - [ 0.0003601800000000, -0.0000038000000000, -0.0004205900000000 ] - [ 0.0041893000000000, 0.0017568800000000, -0.0019037100000000 ] - [ 0.0005754100000000, 0.0002155300000000, 0.0005544300000000 ] - [ -0.0718861900000000, 0.0022309800000000, -0.0007409800000000 ] - [ 0.0011863400000000, 0.0010088100000000, 0.0000366300000000 ] - [ 0.0020309100000000, -0.0013596700000000, 0.0014762600000000 ] - [ 0.0001606700000000, 0.0000533000000000, 0.0006165700000000 ] - [ 0.0039203200000000, -0.0036519400000000, -0.0037821000000000 ] - [ 0.0018339900000000, 0.0041838700000000, -0.0008028000000000 ] - [ 0.0014244700000000, 0.0018224900000000, 0.0002443400000000 ] - [ 0.0007353400000000, -0.0003264800000000, -0.0006550900000000 ] - [ 0.0005802700000000, 0.0004511100000000, -0.0029488200000000 ] - [ 0.0207356100000000, 0.0002378700000000, 0.0052853300000000 ] - [ 0.0001765600000000, 0.0001025300000000, -0.0004752400000000 ] - [ -0.0002314800000000, -0.0006741300000000, 0.0014400300000000 ] - [ 0.0001064300000000, -0.0000399600000000, 0.0000208600000000 ] - [ -0.0001102800000000, -0.0001079700000000, -0.0003986700000000 ] - [ -0.0009364200000000, 0.0007695400000000, 0.0017761800000000 ] - [ 0.0000350100000000, -0.0000990300000000, -0.0000245000000000 ] - [ 0.0001078300000000, 0.0000083200000000, -0.0000900300000000 ] - [ -0.0001944100000000, -0.0001330100000000, -0.0002798800000000 ] - [ -0.0000645800000000, -0.0000082500000000, -0.0002423400000000 ] - [ 0.0000012100000000, 0.0000250300000000, -0.0001169000000000 ] - [ -0.0000118000000000, -0.0000496000000000, -0.0001268700000000 ] - [ -0.0000632400000000, 0.0000191500000000, -0.0001811500000000 ] - [ 0.0000150700000000, -0.0000039700000000, -0.0001811000000000 ] - [ 0.0000928500000000, 0.0000169100000000, -0.0001452400000000 ] - [ 0.0000317800000000, 0.0000340500000000, -0.0000471800000000 ] - [ -0.0000475700000000, -0.0000074500000000, -0.0001237100000000 ] - [ 0.0000315900000000, -0.0000005400000000, -0.0000952800000000 ] - [ 0.0000294700000000, 0.0000179700000000, -0.0001240300000000 ] - [ -0.0000210300000000, -0.0000333300000000, -0.0001258000000000 ] - [ -0.0000141900000000, -0.0000423000000000, -0.0000520400000000 ] - [ -0.0000358300000000, -0.0000080400000000, -0.0001378000000000 ] - [ 0.0000135700000000, -0.0000169000000000, -0.0001221600000000 ] - [ -0.0000213100000000, -0.0000150500000000, -0.0001364500000000 ] - [ 0.0000123200000000, 0.0000094500000000, -0.0001337800000000 ] - [ -0.0000369200000000, 0.0001025800000000, -0.0000670800000000 ] - [ 0.0000246800000000, 0.0000083900000000, -0.0001205300000000 ] - [ 0.0000276100000000, -0.0000392100000000, 0.0000186100000000 ] - [ -0.0000471300000000, 0.0000074900000000, -0.0000789800000000 ] - [ 0.0000305700000000, -0.0000381400000000, -0.0000944900000000 ] - [ 0.0004269100000000, -0.0002000000000000, -0.0001696400000000 ] - [ -0.0000246400000000, -0.0000218200000000, -0.0000066100000000 ] - [ 0.0000418100000000, -0.0000338000000000, -0.0002479900000000 ] - [ -0.0000660800000000, 0.0000214500000000, -0.0001380600000000 ] - [ 0.0017756500000000, -0.0007865500000000, 0.0020263300000000 ] - [ 0.0019099800000000, -0.0020301000000000, -0.0023745600000000 ] - [ 0.0000001400000000, 0.0001505400000000, -0.0008469200000000 ] - [ -0.0009977900000000, 0.0002947500000000, 0.0000635700000000 ] - [ -0.0001480200000000, -0.0001074500000000, 0.0006751800000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000128000000000, 0.0000167900000000, -0.0001303000000000 ] - [ -0.0037327200000000, 0.0073797700000000, -0.0009059500000000 ] - [ -0.0041437600000000, 0.0031621900000000, -0.0002832200000000 ] - [ 0.0009628500000000, 0.0016512500000000, 0.0008433500000000 ] - [ -0.0006569500000000, -0.0003630900000000, -0.0008146000000000 ] - [ -0.0190920400000000, -0.0062991000000000, 0.0068084200000000 ] - [ -0.0064900700000000, -0.0010547200000000, -0.0061744200000000 ] - [ 0.0001117700000000, -0.0000599900000000, -0.0015156000000000 ] - [ -0.0006872200000000, -0.0000627600000000, -0.0003568100000000 ] - [ 0.0002719500000000, -0.0000327000000000, -0.0002265500000000 ] - [ 0.0004701000000000, -0.0001944900000000, 0.0002582200000000 ] - [ 0.0000590300000000, 0.0000689600000000, -0.0004063400000000 ] - [ -0.0000904200000000, 0.0002236200000000, 0.0001253200000000 ] - [ 0.0000411000000000, 0.0000022200000000, -0.0001150400000000 ] - [ -0.0000176500000000, -0.0000100900000000, -0.0001875100000000 ] - [ -0.0001125500000000, -0.0000330600000000, -0.0002844900000000 ] - [ 0.0013295500000000, -0.0002954200000000, 0.0007996800000000 ] - [ 0.0000059100000000, -0.0000070600000000, -0.0002267500000000 ] - [ 0.0000098400000000, -0.0000180100000000, -0.0001768800000000 ] - [ -0.0000077700000000, -0.0000103300000000, -0.0001458700000000 ] - [ -0.0000005400000000, 0.0000269200000000, -0.0001838200000000 ] - [ -0.0000160100000000, 0.0000191100000000, -0.0001714500000000 ] - [ -0.0000002100000000, -0.0000225500000000, -0.0001403200000000 ] - [ -0.0000397400000000, -0.0000130600000000, -0.0002126100000000 ] - [ 0.0000349000000000, 0.0001023800000000, -0.0003493900000000 ] - [ -0.0000357400000000, 0.0000052900000000, 0.0000965800000000 ] - [ 0.0000736600000000, -0.0000090900000000, -0.0001301100000000 ] - [ -0.0000030600000000, -0.0000275800000000, -0.0002635600000000 ] - [ 0.0004495000000000, 0.0000737400000000, -0.0003848800000000 ] - [ -0.0002990200000000, 0.0000214900000000, 0.0004524500000000 ] - [ -0.0046246400000000, -0.0018714500000000, 0.0021432800000000 ] - [ -0.0006186400000000, -0.0002330400000000, -0.0005119700000000 ] - [ 0.0714363800000000, -0.0025899600000000, 0.0010159000000000 ] - [ -0.0012201500000000, -0.0009877400000000, -0.0000220900000000 ] - [ -0.0019707500000000, 0.0013091600000000, -0.0014436300000000 ] - [ -0.0001079100000000, -0.0000034200000000, -0.0006204500000000 ] - [ -0.0039510900000000, 0.0035730600000000, 0.0037075700000000 ] - [ -0.0018609600000000, -0.0041715600000000, 0.0008986000000000 ] - [ -0.0013908200000000, -0.0018291700000000, -0.0003423300000000 ] - [ -0.0007161600000000, 0.0003280300000000, 0.0006312500000000 ] - [ -0.0005920800000000, -0.0004453200000000, 0.0029182100000000 ] - [ -0.0209761700000000, -0.0002290200000000, -0.0055116400000000 ] - [ -0.0001447800000000, -0.0000889000000000, 0.0005691500000000 ] - [ 0.0002272100000000, 0.0006465800000000, -0.0014063200000000 ] - [ -0.0001346000000000, 0.0000258800000000, 0.0000783200000000 ] - [ 0.0001192300000000, 0.0001094100000000, 0.0003881200000000 ] - [ 0.0009429700000000, -0.0008078000000000, -0.0017357100000000 ] - [ -0.0000146700000000, 0.0001421300000000, 0.0000077500000000 ] - [ -0.0001374600000000, 0.0000051300000000, -0.0000040400000000 ] - [ 0.0001680100000000, 0.0001762500000000, 0.0002986100000000 ] - [ 0.0000939300000000, -0.0000050300000000, 0.0001468100000000 ] - [ 0.0000011900000000, -0.0000161400000000, 0.0001057500000000 ] - [ 0.0000090000000000, 0.0000404600000000, 0.0001149900000000 ] - [ 0.0000419900000000, -0.0000630700000000, 0.0001616400000000 ] - [ -0.0000050400000000, 0.0000020900000000, 0.0001948600000000 ] - [ -0.0001015600000000, -0.0000149900000000, 0.0001593500000000 ] - [ -0.0000187400000000, -0.0000030200000000, 0.0001436300000000 ] - [ 0.0000036500000000, 0.0000283100000000, 0.0001443600000000 ] - [ 0.0000125400000000, -0.0000199700000000, 0.0001159700000000 ] - [ 0.0000147900000000, 0.0000028300000000, 0.0001061700000000 ] - [ -0.0000229400000000, 0.0000129100000000, 0.0001076600000000 ] - [ 0.0000009100000000, 0.0000113600000000, 0.0001489300000000 ] - [ 0.0000488800000000, -0.0000230500000000, 0.0000431400000000 ] - [ -0.0000056100000000, 0.0000189800000000, 0.0001094000000000 ] - [ 0.0000197100000000, 0.0000240600000000, 0.0001507600000000 ] - [ -0.0000260500000000, 0.0000217600000000, 0.0000387100000000 ] - [ 0.0000694800000000, -0.0000889300000000, 0.0001627800000000 ] - [ -0.0000228100000000, -0.0000174000000000, 0.0001343800000000 ] - [ -0.0000612100000000, 0.0000266400000000, 0.0000775100000000 ] - [ 0.0000380900000000, -0.0000094200000000, 0.0000672100000000 ] - [ -0.0000094900000000, -0.0000055800000000, 0.0001152400000000 ] - [ -0.0004039500000000, 0.0002422600000000, 0.0001513600000000 ] - [ -0.0000086400000000, 0.0000346600000000, -0.0000856200000000 ] - [ -0.0000624400000000, 0.0000782200000000, 0.0002702200000000 ] - [ 0.0000985400000000, -0.0000347800000000, 0.0000422000000000 ] - [ -0.0017613600000000, 0.0007946900000000, -0.0020093400000000 ] - [ -0.0019050800000000, 0.0020288500000000, 0.0023625200000000 ] - [ -0.0000152600000000, -0.0001998300000000, 0.0008426900000000 ] - [ 0.0010008700000000, -0.0002757000000000, -0.0001147900000000 ] - [ 0.0001362200000000, 0.0001100000000000, -0.0006646000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000210700000000, 0.0000406600000000, 0.0000852500000000 ] - [ -0.0053304200000000, 0.0194388000000000, -0.0059687600000000 ] - [ -0.0032410300000000, 0.0051204700000000, -0.0027259000000000 ] - [ 0.0005893100000000, 0.0013270400000000, 0.0000885800000000 ] - [ -0.0002441800000000, -0.0007429300000000, 0.0005319300000000 ] - [ 0.0053138600000000, 0.0045985000000000, -0.0022704200000000 ] - [ 0.0009505700000000, 0.0044485400000000, 0.0088356500000000 ] - [ 0.0000439500000000, 0.0005791000000000, -0.0006195400000000 ] - [ -0.0001890600000000, 0.0001728800000000, 0.0006306800000000 ] - [ -0.0000589400000000, 0.0001705100000000, -0.0000197400000000 ] - [ 0.0001443200000000, -0.0005822400000000, -0.0005662600000000 ] - [ 0.0000513800000000, -0.0001773000000000, -0.0001147900000000 ] - [ -0.0000085400000000, -0.0000356500000000, 0.0000619600000000 ] - [ -0.0000091900000000, -0.0000426900000000, 0.0001749700000000 ] - [ 0.0000237200000000, -0.0000212700000000, 0.0000684000000000 ] - [ -0.0000084300000000, 0.0000101000000000, 0.0001199300000000 ] - [ -0.0005328600000000, -0.0008710100000000, -0.0004270300000000 ] - [ 0.0000052100000000, -0.0000007100000000, 0.0000853600000000 ] - [ -0.0000045400000000, -0.0000313600000000, 0.0001063100000000 ] - [ -0.0000035300000000, 0.0000170400000000, 0.0001576100000000 ] - [ 0.0000114300000000, 0.0000409700000000, 0.0000969900000000 ] - [ 0.0000024500000000, 0.0000256900000000, 0.0000999500000000 ] - [ -0.0000036400000000, -0.0000318200000000, 0.0000808500000000 ] - [ -0.0000365100000000, -0.0000298100000000, 0.0000184500000000 ] - [ -0.0000618600000000, -0.0000345500000000, -0.0000423500000000 ] - [ -0.0000326000000000, -0.0001053300000000, 0.0002970500000000 ] - [ 0.0000536300000000, 0.0000137200000000, 0.0000343600000000 ] - [ 0.0000449800000000, 0.0003295600000000, 0.0004507400000000 ] - [ 0.0002013500000000, 0.0003437100000000, -0.0007258800000000 ] - [ 0.0008360900000000, 0.0004376600000000, 0.0003044000000000 ] - [ 0.0014375700000000, 0.0033335000000000, -0.0024668000000000 ] - [ -0.0007430000000000, -0.0009781700000000, 0.0000485900000000 ] - [ 0.0023506300000000, -0.0630771100000000, 0.0045148100000000 ] - [ 0.0015422600000000, 0.0023563500000000, 0.0004512100000000 ] - [ -0.0017640600000000, 0.0009588300000000, -0.0003130200000000 ] - [ 0.0018099300000000, 0.0026174500000000, 0.0022428200000000 ] - [ -0.0033877900000000, 0.0022798200000000, 0.0031061600000000 ] - [ 0.0042272500000000, 0.0149714500000000, 0.0012609000000000 ] - [ -0.0018350000000000, 0.0000259000000000, -0.0000252300000000 ] - [ -0.0002245900000000, 0.0004137700000000, 0.0004521600000000 ] - [ 0.0003126700000000, 0.0001046800000000, -0.0010849800000000 ] - [ -0.0002031300000000, -0.0034420200000000, -0.0007251200000000 ] - [ 0.0001178800000000, -0.0000466100000000, -0.0000482000000000 ] - [ 0.0002379600000000, 0.0021309600000000, -0.0021595400000000 ] - [ -0.0002521800000000, 0.0000378700000000, -0.0002469800000000 ] - [ 0.0001560000000000, -0.0000114800000000, 0.0001309800000000 ] - [ -0.0002634200000000, 0.0002186600000000, 0.0005177200000000 ] - [ 0.0000087000000000, -0.0000044900000000, -0.0001363200000000 ] - [ 0.0000183900000000, -0.0000714800000000, 0.0000080200000000 ] - [ 0.0001282700000000, 0.0003467400000000, -0.0002108600000000 ] - [ -0.0000186500000000, 0.0001161500000000, 0.0000082000000000 ] - [ -0.0000000800000000, 0.0000187200000000, -0.0000801600000000 ] - [ 0.0000112100000000, -0.0000278900000000, -0.0000775600000000 ] - [ 0.0000025400000000, 0.0000227200000000, -0.0000531100000000 ] - [ -0.0000365800000000, 0.0000088300000000, -0.0000588600000000 ] - [ -0.0000027000000000, -0.0000017400000000, -0.0000877200000000 ] - [ 0.0000249000000000, 0.0000255000000000, -0.0000059400000000 ] - [ -0.0000306900000000, 0.0000077700000000, -0.0000565900000000 ] - [ 0.0000315900000000, -0.0000058400000000, -0.0000752800000000 ] - [ 0.0000119100000000, 0.0000215500000000, -0.0000702600000000 ] - [ -0.0000094600000000, -0.0000300300000000, -0.0000720900000000 ] - [ -0.0000333100000000, -0.0000253700000000, -0.0000085300000000 ] - [ -0.0000010200000000, -0.0000086600000000, -0.0001109200000000 ] - [ -0.0000524600000000, -0.0000780200000000, -0.0002051700000000 ] - [ 0.0000095900000000, -0.0000150800000000, -0.0000791600000000 ] - [ -0.0000006200000000, 0.0000077100000000, -0.0000991600000000 ] - [ 0.0001179100000000, 0.0001680500000000, -0.0000752500000000 ] - [ -0.0000101500000000, 0.0000136500000000, -0.0000976600000000 ] - [ -0.0002515000000000, 0.0001143600000000, -0.0000293900000000 ] - [ 0.0000071000000000, 0.0000398600000000, -0.0001278100000000 ] - [ -0.0000097800000000, 0.0000065300000000, -0.0000022200000000 ] - [ -0.0003843200000000, 0.0004114200000000, 0.0003173000000000 ] - [ -0.0001576800000000, -0.0000755700000000, -0.0000110800000000 ] - [ 0.0000483600000000, -0.0000436200000000, 0.0000094100000000 ] - [ 0.0001579500000000, -0.0000147000000000, -0.0000263700000000 ] - [ 0.0006776600000000, -0.0003106200000000, 0.0008665200000000 ] - [ -0.0020097400000000, 0.0020942000000000, 0.0027925300000000 ] - [ -0.0000841100000000, -0.0001986000000000, 0.0000782000000000 ] - [ -0.0000913500000000, 0.0008092300000000, -0.0054130100000000 ] - [ -0.0000767400000000, 0.0003766200000000, -0.0013139000000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000067400000000, -0.0000006300000000, -0.0001261700000000 ] - [ 0.0056355400000000, -0.0206517000000000, 0.0062009000000000 ] - [ 0.0029383200000000, -0.0046546700000000, 0.0026102800000000 ] - [ -0.0005833900000000, -0.0013497900000000, -0.0000265300000000 ] - [ 0.0002526700000000, 0.0007927700000000, -0.0004754600000000 ] - [ -0.0052952600000000, -0.0045696400000000, 0.0022761000000000 ] - [ -0.0009527800000000, -0.0044442900000000, -0.0087902100000000 ] - [ -0.0000815700000000, -0.0005685600000000, 0.0005824100000000 ] - [ 0.0001860500000000, -0.0001669900000000, -0.0006873200000000 ] - [ 0.0000009900000000, -0.0001706200000000, 0.0000161200000000 ] - [ -0.0001033700000000, 0.0005625400000000, 0.0005376100000000 ] - [ 0.0000063500000000, 0.0001786500000000, 0.0001143800000000 ] - [ 0.0000082700000000, 0.0000318800000000, -0.0000113000000000 ] - [ 0.0000488400000000, 0.0000580900000000, -0.0001384400000000 ] - [ -0.0000097000000000, -0.0000191200000000, -0.0001084800000000 ] - [ -0.0000313100000000, -0.0000242400000000, -0.0000844300000000 ] - [ 0.0005127600000000, 0.0009229400000000, 0.0003866900000000 ] - [ -0.0000049900000000, 0.0000008400000000, -0.0001440800000000 ] - [ 0.0000049100000000, -0.0000260400000000, -0.0001088300000000 ] - [ 0.0000031900000000, -0.0000167700000000, -0.0001043800000000 ] - [ 0.0000031100000000, -0.0000004800000000, -0.0000610800000000 ] - [ -0.0000027200000000, 0.0000315800000000, -0.0001021000000000 ] - [ -0.0000109100000000, -0.0000087600000000, -0.0000447400000000 ] - [ -0.0000037000000000, 0.0000438000000000, -0.0000585600000000 ] - [ 0.0000614500000000, 0.0000344200000000, -0.0000158400000000 ] - [ -0.0000226800000000, 0.0001062300000000, -0.0003041000000000 ] - [ -0.0000133700000000, -0.0000279300000000, -0.0000742600000000 ] - [ 0.0000118500000000, -0.0003296000000000, -0.0004509300000000 ] - [ -0.0002006600000000, -0.0003404400000000, 0.0007862000000000 ] - [ -0.0008018700000000, -0.0004280200000000, -0.0002665800000000 ] - [ -0.0014344600000000, -0.0033901700000000, 0.0024358800000000 ] - [ 0.0007053400000000, 0.0009681400000000, -0.0000196500000000 ] - [ -0.0024813100000000, 0.0636689000000000, -0.0046040400000000 ] - [ -0.0016199800000000, -0.0023439600000000, -0.0004228600000000 ] - [ 0.0018274700000000, -0.0009671600000000, 0.0003284300000000 ] - [ -0.0017810100000000, -0.0026171800000000, -0.0023025300000000 ] - [ 0.0033669800000000, -0.0022866800000000, -0.0031546700000000 ] - [ -0.0041289800000000, -0.0148705700000000, -0.0012047400000000 ] - [ 0.0018165800000000, -0.0000761800000000, -0.0000761300000000 ] - [ 0.0002333300000000, -0.0004107600000000, -0.0004653200000000 ] - [ -0.0003204900000000, -0.0001018300000000, 0.0011097400000000 ] - [ 0.0002637900000000, 0.0034767700000000, 0.0006456200000000 ] - [ -0.0000881400000000, 0.0000592000000000, 0.0001473900000000 ] - [ -0.0002323200000000, -0.0021407800000000, 0.0021586100000000 ] - [ 0.0002210600000000, -0.0000517300000000, 0.0003423900000000 ] - [ -0.0001582300000000, 0.0000126800000000, -0.0001421900000000 ] - [ 0.0002762800000000, -0.0002528100000000, -0.0004734800000000 ] - [ 0.0000120600000000, 0.0000467800000000, 0.0001208800000000 ] - [ -0.0000496800000000, 0.0000865800000000, -0.0001054000000000 ] - [ -0.0001496200000000, -0.0003018300000000, 0.0002297900000000 ] - [ 0.0000494000000000, -0.0001297300000000, -0.0001033300000000 ] - [ 0.0000027600000000, -0.0000095200000000, 0.0000689500000000 ] - [ -0.0000138600000000, 0.0000191800000000, 0.0000664100000000 ] - [ -0.0000230800000000, -0.0000666100000000, 0.0000344300000000 ] - [ 0.0000456200000000, -0.0000109600000000, 0.0000730100000000 ] - [ -0.0000068900000000, 0.0000036900000000, 0.0001022700000000 ] - [ -0.0000121300000000, 0.0000054700000000, 0.0001026800000000 ] - [ -0.0000132300000000, 0.0000131400000000, 0.0000780800000000 ] - [ 0.0000126200000000, -0.0000148700000000, 0.0000963000000000 ] - [ 0.0000320900000000, -0.0000008800000000, 0.0000522700000000 ] - [ -0.0000345800000000, 0.0000095400000000, 0.0000541400000000 ] - [ 0.0000202800000000, -0.0000054600000000, 0.0001056700000000 ] - [ 0.0000140000000000, -0.0000223700000000, 0.0000165800000000 ] - [ 0.0000615500000000, 0.0000809400000000, 0.0001949300000000 ] - [ -0.0000115700000000, 0.0000244700000000, 0.0000940800000000 ] - [ -0.0000130700000000, 0.0000236900000000, 0.0000043400000000 ] - [ -0.0000881000000000, -0.0001538300000000, 0.0001716500000000 ] - [ 0.0000122600000000, -0.0000226100000000, 0.0001121200000000 ] - [ 0.0002217400000000, -0.0001273500000000, 0.0001260800000000 ] - [ -0.0000167100000000, -0.0000426100000000, 0.0001177000000000 ] - [ 0.0000309800000000, -0.0000505200000000, 0.0000232200000000 ] - [ 0.0004062000000000, -0.0003679700000000, -0.0003352200000000 ] - [ 0.0001275400000000, 0.0000887300000000, -0.0000845700000000 ] - [ -0.0000694500000000, 0.0000876500000000, 0.0000114600000000 ] - [ -0.0001275600000000, 0.0000006000000000, -0.0000682500000000 ] - [ -0.0006844900000000, 0.0003197800000000, -0.0008930200000000 ] - [ 0.0019964200000000, -0.0021048000000000, -0.0027928200000000 ] - [ 0.0000623500000000, 0.0001579200000000, -0.0001004000000000 ] - [ 0.0001053100000000, -0.0007942000000000, 0.0054479400000000 ] - [ 0.0000721900000000, -0.0003833900000000, 0.0013487300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000047100000000, 0.0000033400000000, -0.0007613300000000 ] - [ 0.0004425200000000, -0.0029900400000000, 0.0043782000000000 ] - [ 0.0015952100000000, -0.0027194100000000, 0.0048809200000000 ] - [ 0.0004084200000000, -0.0008774200000000, 0.0021171400000000 ] - [ 0.0000514900000000, -0.0002102200000000, 0.0019346800000000 ] - [ -0.0080505300000000, -0.0022146600000000, 0.0043790200000000 ] - [ 0.0067409600000000, 0.0053956800000000, 0.0304212600000000 ] - [ 0.0004197900000000, 0.0001101200000000, -0.0002570100000000 ] - [ 0.0001219500000000, 0.0004163600000000, -0.0006348000000000 ] - [ -0.0002397000000000, 0.0000520000000000, -0.0008289000000000 ] - [ -0.0002249200000000, 0.0000881300000000, -0.0003476800000000 ] - [ -0.0000453200000000, -0.0000123800000000, -0.0005230500000000 ] - [ 0.0000811600000000, -0.0004103300000000, -0.0011537400000000 ] - [ -0.0000004100000000, 0.0000619200000000, -0.0006369000000000 ] - [ -0.0000105100000000, -0.0000294300000000, -0.0006759600000000 ] - [ 0.0000743300000000, -0.0000237700000000, -0.0006609400000000 ] - [ 0.0005003100000000, -0.0001971500000000, 0.0011434100000000 ] - [ -0.0000000500000000, 0.0000125400000000, -0.0008132600000000 ] - [ 0.0000787800000000, -0.0000273600000000, -0.0007728300000000 ] - [ -0.0000045900000000, -0.0000353800000000, -0.0007780200000000 ] - [ 0.0000239600000000, -0.0000052000000000, -0.0006717400000000 ] - [ -0.0000809300000000, 0.0000408700000000, -0.0007662800000000 ] - [ -0.0000213200000000, 0.0000166200000000, -0.0006194600000000 ] - [ -0.0000304600000000, 0.0000558800000000, -0.0006636100000000 ] - [ 0.0000133200000000, 0.0000796200000000, -0.0007866500000000 ] - [ -0.0000256900000000, 0.0001280700000000, -0.0002950900000000 ] - [ -0.0000072100000000, -0.0000676500000000, -0.0006022500000000 ] - [ 0.0000414400000000, -0.0005573800000000, -0.0009922500000000 ] - [ 0.0001902100000000, 0.0001112400000000, -0.0008429400000000 ] - [ -0.0010388300000000, -0.0000086900000000, 0.0004516600000000 ] - [ -0.0013413800000000, -0.0012028400000000, 0.0032088300000000 ] - [ -0.0000680700000000, 0.0003956000000000, 0.0002413900000000 ] - [ -0.0006146200000000, 0.0048177200000000, -0.0629842800000000 ] - [ -0.0008389500000000, -0.0017546300000000, -0.0007777100000000 ] - [ 0.0005892600000000, -0.0004097400000000, -0.0009295000000000 ] - [ 0.0003253100000000, 0.0021814900000000, -0.0003725300000000 ] - [ -0.0028528000000000, 0.0031043900000000, 0.0007076500000000 ] - [ 0.0008361200000000, -0.0012665400000000, -0.0030317000000000 ] - [ -0.0002873500000000, 0.0000080600000000, -0.0010080700000000 ] - [ -0.0000727400000000, 0.0003434600000000, 0.0001847200000000 ] - [ -0.0016830600000000, -0.0013316800000000, 0.0007417700000000 ] - [ 0.0053764600000000, 0.0007044200000000, 0.0000504500000000 ] - [ -0.0001076100000000, -0.0001080900000000, 0.0004662600000000 ] - [ 0.0002867200000000, -0.0016951700000000, 0.0006229200000000 ] - [ 0.0000620200000000, 0.0000230700000000, 0.0004290500000000 ] - [ 0.0013716200000000, 0.0002958800000000, 0.0002751100000000 ] - [ -0.0011617900000000, 0.0013275600000000, 0.0037870700000000 ] - [ -0.0000369900000000, -0.0000577400000000, 0.0006023900000000 ] - [ 0.0000400900000000, 0.0001999900000000, 0.0002419600000000 ] - [ -0.0002829200000000, 0.0001820100000000, 0.0000457100000000 ] - [ -0.0000410500000000, -0.0000492800000000, 0.0002420200000000 ] - [ 0.0001033300000000, -0.0000619800000000, 0.0005818500000000 ] - [ -0.0001067200000000, 0.0000662400000000, 0.0005869800000000 ] - [ 0.0000245900000000, -0.0000102500000000, 0.0003947100000000 ] - [ 0.0001085200000000, 0.0000522200000000, 0.0005321400000000 ] - [ -0.0000961100000000, -0.0000666900000000, 0.0005666500000000 ] - [ -0.0000887500000000, -0.0000388400000000, 0.0004214400000000 ] - [ -0.0000146200000000, 0.0000467600000000, 0.0005116900000000 ] - [ -0.0000008900000000, -0.0000839000000000, 0.0005107800000000 ] - [ 0.0000406100000000, -0.0000458300000000, 0.0004742400000000 ] - [ -0.0000422100000000, 0.0000609700000000, 0.0004758800000000 ] - [ 0.0000937300000000, 0.0000416200000000, 0.0004358900000000 ] - [ 0.0000965300000000, -0.0000789200000000, 0.0003627500000000 ] - [ 0.0000115700000000, 0.0001509700000000, 0.0007057100000000 ] - [ 0.0000488900000000, 0.0000877500000000, 0.0006080900000000 ] - [ -0.0000925500000000, 0.0000670100000000, 0.0003224900000000 ] - [ -0.0000827400000000, -0.0005166500000000, 0.0004663300000000 ] - [ -0.0000679400000000, -0.0000918100000000, 0.0006161600000000 ] - [ 0.0002806700000000, 0.0000217300000000, 0.0004292700000000 ] - [ 0.0000939000000000, -0.0000595300000000, 0.0004880200000000 ] - [ 0.0000415500000000, 0.0000157900000000, 0.0004071900000000 ] - [ -0.0003487000000000, 0.0001358300000000, 0.0002400100000000 ] - [ 0.0000054100000000, 0.0000955600000000, 0.0000957000000000 ] - [ -0.0001150100000000, 0.0000569600000000, 0.0005218000000000 ] - [ -0.0000214600000000, 0.0000339100000000, 0.0000955900000000 ] - [ 0.0001925400000000, 0.0005211500000000, 0.0000732600000000 ] - [ -0.0015899300000000, 0.0022224600000000, 0.0009674200000000 ] - [ 0.0004599100000000, -0.0002698500000000, 0.0004339400000000 ] - [ 0.0006016900000000, -0.0044944600000000, 0.0104942600000000 ] - [ -0.0000327900000000, 0.0002479100000000, -0.0001853700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000099100000000, 0.0000370200000000, 0.0007279600000000 ] - [ -0.0004462600000000, 0.0029597700000000, -0.0044726500000000 ] - [ -0.0015795300000000, 0.0026624900000000, -0.0049035000000000 ] - [ -0.0004118900000000, 0.0008792300000000, -0.0020786300000000 ] - [ -0.0000359200000000, 0.0002457300000000, -0.0019226700000000 ] - [ 0.0080100500000000, 0.0022608700000000, -0.0043482400000000 ] - [ -0.0070540600000000, -0.0057230500000000, -0.0317979600000000 ] - [ -0.0004637700000000, -0.0000924900000000, 0.0002116700000000 ] - [ -0.0001240900000000, -0.0004214700000000, 0.0005818600000000 ] - [ 0.0001836200000000, -0.0000534900000000, 0.0008367200000000 ] - [ 0.0002660200000000, -0.0001003300000000, 0.0003029300000000 ] - [ 0.0001028800000000, 0.0000113200000000, 0.0005237000000000 ] - [ -0.0000824300000000, 0.0004142100000000, 0.0012176700000000 ] - [ 0.0000406700000000, -0.0000480200000000, 0.0006784000000000 ] - [ 0.0000248300000000, -0.0000108400000000, 0.0006417700000000 ] - [ -0.0001157600000000, 0.0000097000000000, 0.0007029200000000 ] - [ -0.0005138300000000, 0.0002319800000000, -0.0011799700000000 ] - [ 0.0000002000000000, -0.0000129900000000, 0.0007620800000000 ] - [ -0.0000793500000000, -0.0000299100000000, 0.0007773900000000 ] - [ 0.0000043100000000, 0.0000352700000000, 0.0008394800000000 ] - [ -0.0000101600000000, 0.0000453700000000, 0.0007142100000000 ] - [ 0.0000814800000000, 0.0000164700000000, 0.0007711500000000 ] - [ 0.0000070500000000, -0.0000569800000000, 0.0006620900000000 ] - [ -0.0000103300000000, -0.0000410900000000, 0.0006302800000000 ] - [ -0.0000131500000000, -0.0000794800000000, 0.0007360300000000 ] - [ -0.0000320200000000, -0.0001278700000000, 0.0003054600000000 ] - [ 0.0000477300000000, 0.0000519000000000, 0.0005694700000000 ] - [ 0.0000139000000000, 0.0005560300000000, 0.0010116200000000 ] - [ -0.0001892200000000, -0.0001090800000000, 0.0009046700000000 ] - [ 0.0010844600000000, 0.0000205200000000, -0.0003938000000000 ] - [ 0.0011826700000000, 0.0011217900000000, -0.0031506900000000 ] - [ 0.0000237000000000, -0.0004130300000000, -0.0001887200000000 ] - [ 0.0011556800000000, -0.0042879800000000, 0.0642616100000000 ] - [ 0.0008026300000000, 0.0017834200000000, 0.0007994300000000 ] - [ -0.0005631900000000, 0.0003980300000000, 0.0009486400000000 ] - [ -0.0002760600000000, -0.0021711900000000, 0.0003711100000000 ] - [ 0.0028321400000000, -0.0031529600000000, -0.0007176000000000 ] - [ -0.0008656500000000, 0.0011987600000000, 0.0031388000000000 ] - [ 0.0002995900000000, -0.0000432600000000, 0.0009184200000000 ] - [ 0.0000802800000000, -0.0003436000000000, -0.0001945700000000 ] - [ 0.0017092100000000, 0.0013531400000000, -0.0007470100000000 ] - [ -0.0054194600000000, -0.0006660000000000, -0.0001286800000000 ] - [ 0.0001393600000000, 0.0001221200000000, -0.0003732300000000 ] - [ -0.0002901700000000, 0.0017177300000000, -0.0006164600000000 ] - [ -0.0000935800000000, -0.0000360200000000, -0.0003354200000000 ] - [ -0.0014040500000000, -0.0003053800000000, -0.0002944000000000 ] - [ 0.0011949700000000, -0.0013869300000000, -0.0038037900000000 ] - [ 0.0000581700000000, 0.0001027700000000, -0.0006259200000000 ] - [ -0.0000715600000000, -0.0001890600000000, -0.0003385000000000 ] - [ 0.0002649400000000, -0.0001380500000000, -0.0000231000000000 ] - [ 0.0000724700000000, 0.0000364400000000, -0.0003384600000000 ] - [ -0.0001020300000000, 0.0000713200000000, -0.0005982400000000 ] - [ 0.0001052200000000, -0.0000758400000000, -0.0006034800000000 ] - [ -0.0000454400000000, -0.0000341200000000, -0.0004162000000000 ] - [ -0.0001001600000000, -0.0000543400000000, -0.0005219800000000 ] - [ 0.0000878700000000, 0.0000693600000000, -0.0005576300000000 ] - [ 0.0001022300000000, 0.0000699000000000, -0.0003280800000000 ] - [ -0.0000290800000000, -0.0000259600000000, -0.0004948800000000 ] - [ 0.0000450200000000, 0.0000639100000000, -0.0004941500000000 ] - [ 0.0000033400000000, 0.0000671500000000, -0.0004972300000000 ] - [ -0.0000014700000000, -0.0000821800000000, -0.0004990100000000 ] - [ -0.0001074400000000, -0.0000728100000000, -0.0003424000000000 ] - [ -0.0000842100000000, 0.0000483700000000, -0.0004607400000000 ] - [ -0.0000021000000000, -0.0001498700000000, -0.0007229700000000 ] - [ -0.0000517800000000, -0.0000792500000000, -0.0005988200000000 ] - [ 0.0000797800000000, -0.0000364300000000, -0.0004207600000000 ] - [ 0.0001133000000000, 0.0005277700000000, -0.0003732000000000 ] - [ 0.0000706300000000, 0.0000832600000000, -0.0006063700000000 ] - [ -0.0003089100000000, -0.0000359600000000, -0.0003352300000000 ] - [ -0.0001035600000000, 0.0000587000000000, -0.0005057300000000 ] - [ -0.0000212500000000, -0.0000602200000000, -0.0003908400000000 ] - [ 0.0003686700000000, -0.0000927100000000, -0.0002625200000000 ] - [ -0.0000366000000000, -0.0000844700000000, -0.0001953300000000 ] - [ 0.0000945500000000, -0.0000125800000000, -0.0005052200000000 ] - [ 0.0000520800000000, -0.0000454200000000, -0.0001954400000000 ] - [ -0.0001800500000000, -0.0005084100000000, -0.0000801200000000 ] - [ 0.0015722100000000, -0.0022241900000000, -0.0009776600000000 ] - [ -0.0004767500000000, 0.0002242800000000, -0.0004577900000000 ] - [ -0.0005894300000000, 0.0043982800000000, -0.0103172700000000 ] - [ 0.0000177500000000, -0.0002390500000000, 0.0001857200000000 ]- atom: 34 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000042100000000, 0.0000111400000000, -0.0000490400000000 ] - [ 0.0198872600000000, 0.0052943700000000, -0.0053927700000000 ] - [ 0.0028294600000000, -0.0006296800000000, -0.0009435400000000 ] - [ 0.0031413500000000, -0.0009669300000000, 0.0018438600000000 ] - [ -0.0012119900000000, 0.0005385400000000, 0.0002457400000000 ] - [ -0.0012737300000000, 0.0004997300000000, -0.0000140200000000 ] - [ 0.0004769800000000, -0.0004855700000000, 0.0002836300000000 ] - [ -0.0001395800000000, 0.0000392700000000, 0.0000367700000000 ] - [ -0.0000766600000000, 0.0000761300000000, -0.0000848100000000 ] - [ -0.0000332200000000, 0.0000044800000000, -0.0002013200000000 ] - [ 0.0003883700000000, -0.0000759000000000, 0.0002174200000000 ] - [ 0.0000282000000000, -0.0000078500000000, -0.0002496400000000 ] - [ -0.0000227700000000, -0.0000058100000000, 0.0000084700000000 ] - [ 0.0000546900000000, -0.0000068800000000, -0.0000015200000000 ] - [ -0.0000004100000000, -0.0000131700000000, -0.0000609600000000 ] - [ -0.0000462500000000, -0.0000101000000000, -0.0000272800000000 ] - [ -0.0006517000000000, 0.0001805700000000, 0.0001438900000000 ] - [ 0.0000094600000000, -0.0000051400000000, -0.0000859400000000 ] - [ -0.0000060300000000, -0.0000435700000000, -0.0000366500000000 ] - [ 0.0000102900000000, -0.0000056100000000, -0.0000581900000000 ] - [ 0.0000292000000000, 0.0000051700000000, 0.0000006400000000 ] - [ 0.0000085200000000, 0.0000346400000000, -0.0000471800000000 ] - [ -0.0000393400000000, 0.0000061400000000, 0.0000877600000000 ] - [ 0.0001735700000000, 0.0001094700000000, -0.0001852400000000 ] - [ 0.0003553700000000, 0.0001658600000000, 0.0002834800000000 ] - [ -0.0006041900000000, 0.0001637800000000, -0.0003781400000000 ] - [ -0.0000703900000000, -0.0000033100000000, -0.0000576800000000 ] - [ 0.0002258800000000, -0.0004678900000000, -0.0008549100000000 ] - [ -0.0001498800000000, -0.0004170000000000, 0.0008240100000000 ] - [ -0.0009631000000000, 0.0002278000000000, 0.0009795900000000 ] - [ 0.0027151000000000, -0.0040695400000000, -0.0004648800000000 ] - [ 0.0042298700000000, -0.0019830500000000, 0.0074055600000000 ] - [ 0.0012043300000000, 0.0016054900000000, -0.0007727300000000 ] - [ -0.0630439500000000, 0.0016778700000000, -0.0018653300000000 ] - [ 0.0188662900000000, -0.0052139000000000, 0.0011208400000000 ] - [ 0.0015200700000000, 0.0003824300000000, -0.0069848200000000 ] - [ 0.0009240100000000, -0.0000469800000000, -0.0013890100000000 ] - [ 0.0020018200000000, -0.0018292100000000, -0.0005370700000000 ] - [ 0.0039441100000000, 0.0033573900000000, 0.0027892800000000 ] - [ 0.0000899600000000, 0.0002851400000000, 0.0005751000000000 ] - [ 0.0003834600000000, 0.0002591500000000, 0.0002905800000000 ] - [ 0.0001316200000000, -0.0017925000000000, 0.0002624600000000 ] - [ 0.0000436600000000, -0.0000100200000000, 0.0000851400000000 ] - [ -0.0000219600000000, 0.0000047100000000, -0.0000699600000000 ] - [ -0.0000815900000000, -0.0000628200000000, 0.0000121800000000 ] - [ -0.0003024000000000, -0.0002492100000000, 0.0005911000000000 ] - [ 0.0000513200000000, 0.0001030000000000, -0.0000037500000000 ] - [ 0.0000110100000000, 0.0000411200000000, -0.0000384000000000 ] - [ -0.0000412800000000, 0.0001271000000000, -0.0001289100000000 ] - [ 0.0001358500000000, 0.0000310700000000, -0.0000405800000000 ] - [ 0.0000600200000000, -0.0000480000000000, -0.0000608100000000 ] - [ 0.0000096000000000, 0.0000014200000000, 0.0000167100000000 ] - [ -0.0000016200000000, 0.0000017600000000, 0.0000287300000000 ] - [ -0.0000046500000000, -0.0000412600000000, -0.0000111100000000 ] - [ -0.0000174500000000, 0.0000216800000000, 0.0000891500000000 ] - [ 0.0000091200000000, -0.0000206300000000, 0.0000678200000000 ] - [ -0.0000190800000000, 0.0000065400000000, 0.0000541400000000 ] - [ -0.0000079300000000, 0.0000062700000000, 0.0000298300000000 ] - [ 0.0000046600000000, -0.0000034400000000, 0.0000243500000000 ] - [ 0.0000462800000000, 0.0000220100000000, -0.0000046400000000 ] - [ -0.0000689700000000, 0.0000051800000000, 0.0000048300000000 ] - [ 0.0000032700000000, -0.0000060600000000, 0.0000700000000000 ] - [ 0.0000068500000000, -0.0000280300000000, -0.0000277500000000 ] - [ 0.0000432400000000, 0.0000574300000000, 0.0001751700000000 ] - [ -0.0000571600000000, 0.0000155000000000, 0.0000394300000000 ] - [ 0.0000012400000000, 0.0000252800000000, -0.0000295900000000 ] - [ 0.0002537200000000, 0.0007945500000000, 0.0014033000000000 ] - [ 0.0000044300000000, -0.0000169000000000, 0.0000326700000000 ] - [ 0.0003089700000000, -0.0001611300000000, -0.0001120600000000 ] - [ 0.0000088800000000, -0.0000266300000000, 0.0001297100000000 ] - [ 0.0000067600000000, 0.0001031300000000, -0.0003645900000000 ] - [ 0.0012467200000000, -0.0000416900000000, -0.0019221700000000 ] - [ 0.0003752800000000, 0.0002274100000000, 0.0000660200000000 ] - [ -0.0001128700000000, 0.0000301300000000, -0.0000659500000000 ] - [ -0.0001645900000000, -0.0001811500000000, 0.0001997700000000 ] - [ -0.0002797200000000, 0.0014901600000000, -0.0002616500000000 ] - [ -0.0014844900000000, -0.0004720000000000, -0.0011854400000000 ] - [ 0.0000446300000000, 0.0000380100000000, -0.0007410500000000 ] - [ 0.0027111600000000, 0.0025419000000000, 0.0038563100000000 ] - [ 0.0019872600000000, -0.0011713800000000, 0.0014356400000000 ]- atom: 34 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000106100000000, 0.0000291100000000, 0.0000126600000000 ] - [ -0.0187269700000000, -0.0050093700000000, 0.0051189300000000 ] - [ -0.0028029800000000, 0.0005736600000000, 0.0009396900000000 ] - [ -0.0032532300000000, 0.0010025200000000, -0.0019672600000000 ] - [ 0.0012169500000000, -0.0004989700000000, -0.0001992200000000 ] - [ 0.0012531100000000, -0.0004444200000000, 0.0000165500000000 ] - [ -0.0004857400000000, 0.0004433200000000, -0.0002444300000000 ] - [ 0.0000986200000000, -0.0000236500000000, -0.0000683100000000 ] - [ 0.0000762400000000, -0.0000761700000000, 0.0000304200000000 ] - [ -0.0000243300000000, -0.0000055200000000, 0.0002032300000000 ] - [ -0.0003472900000000, 0.0000612100000000, -0.0002579800000000 ] - [ 0.0000292800000000, 0.0000080500000000, 0.0002512500000000 ] - [ 0.0000221600000000, 0.0000054600000000, 0.0000492200000000 ] - [ -0.0000146800000000, 0.0000213600000000, 0.0000415600000000 ] - [ 0.0000143600000000, -0.0000272200000000, 0.0000244100000000 ] - [ 0.0000053000000000, -0.0000043100000000, 0.0000675200000000 ] - [ 0.0002979900000000, -0.0003227000000000, -0.0001307800000000 ] - [ -0.0000098500000000, 0.0000049000000000, 0.0000325800000000 ] - [ 0.0000052600000000, -0.0000143900000000, 0.0000384000000000 ] - [ -0.0000103100000000, 0.0000061900000000, 0.0001151100000000 ] - [ -0.0000148600000000, 0.0000355000000000, 0.0000406300000000 ] - [ -0.0000082300000000, 0.0000229900000000, 0.0000497500000000 ] - [ 0.0000236300000000, -0.0000467900000000, -0.0000474100000000 ] - [ -0.0002111200000000, -0.0000946000000000, 0.0001480200000000 ] - [ -0.0003577300000000, -0.0001670400000000, -0.0003355200000000 ] - [ 0.0005423800000000, -0.0001607900000000, 0.0003662100000000 ] - [ 0.0001074500000000, -0.0000114500000000, 0.0000208700000000 ] - [ -0.0001650000000000, 0.0004646400000000, 0.0008529700000000 ] - [ 0.0001427000000000, 0.0004196000000000, -0.0007593700000000 ] - [ 0.0009914700000000, -0.0002173100000000, -0.0009552100000000 ] - [ -0.0026721700000000, 0.0040414300000000, 0.0004180800000000 ] - [ -0.0042863100000000, 0.0019575100000000, -0.0073247200000000 ] - [ -0.0012022700000000, -0.0015560100000000, 0.0008690100000000 ] - [ 0.0624511900000000, -0.0019484600000000, 0.0022300100000000 ] - [ -0.0189963800000000, 0.0053216400000000, -0.0010797700000000 ] - [ -0.0014931200000000, -0.0003598800000000, 0.0069293100000000 ] - [ -0.0009556300000000, 0.0000293500000000, 0.0013507800000000 ] - [ -0.0020003200000000, 0.0017627000000000, 0.0006156700000000 ] - [ -0.0039275300000000, -0.0033974900000000, -0.0028960500000000 ] - [ -0.0000801600000000, -0.0002850200000000, -0.0005877200000000 ] - [ -0.0003849200000000, -0.0002485300000000, -0.0002785700000000 ] - [ -0.0001378400000000, 0.0017986400000000, -0.0003392400000000 ] - [ -0.0000130200000000, 0.0000230300000000, 0.0000095300000000 ] - [ 0.0000233600000000, -0.0000142800000000, 0.0000805100000000 ] - [ 0.0000496800000000, 0.0000491500000000, 0.0000818500000000 ] - [ 0.0002941800000000, 0.0002497700000000, -0.0006060700000000 ] - [ -0.0000304600000000, -0.0001465100000000, 0.0000234400000000 ] - [ 0.0000100300000000, 0.0000024600000000, 0.0000163800000000 ] - [ 0.0000099600000000, -0.0001136500000000, 0.0000314400000000 ] - [ -0.0001578900000000, 0.0000127500000000, 0.0000604300000000 ] - [ -0.0000290200000000, 0.0000340800000000, -0.0000370500000000 ] - [ -0.0000086000000000, 0.0000078600000000, -0.0000309600000000 ] - [ -0.0000005400000000, -0.0000113000000000, -0.0000430900000000 ] - [ -0.0000172000000000, -0.0000023100000000, -0.0000108300000000 ] - [ 0.0000259200000000, -0.0000238100000000, -0.0000780900000000 ] - [ -0.0000183200000000, 0.0000227300000000, -0.0000571800000000 ] - [ 0.0000318600000000, 0.0000244300000000, 0.0000399300000000 ] - [ -0.0000358500000000, 0.0000147400000000, -0.0000104800000000 ] - [ 0.0000385500000000, -0.0000174200000000, -0.0000051500000000 ] - [ -0.0000026300000000, -0.0000008600000000, -0.0000175000000000 ] - [ 0.0000246200000000, -0.0000267700000000, -0.0000274400000000 ] - [ -0.0000163300000000, -0.0000251000000000, 0.0000244100000000 ] - [ 0.0000048200000000, -0.0000030500000000, -0.0000686400000000 ] - [ -0.0000339700000000, -0.0000552200000000, -0.0001880800000000 ] - [ 0.0000551000000000, -0.0000068000000000, -0.0000296600000000 ] - [ -0.0000142400000000, 0.0000055700000000, -0.0000669600000000 ] - [ -0.0002174900000000, -0.0007824200000000, -0.0013106500000000 ] - [ -0.0000022200000000, 0.0000081700000000, -0.0000212400000000 ] - [ -0.0003396600000000, 0.0001480700000000, 0.0002081800000000 ] - [ -0.0000189800000000, 0.0000239500000000, -0.0001407200000000 ] - [ 0.0000142200000000, -0.0001463700000000, 0.0003807100000000 ] - [ -0.0012146200000000, 0.0000896800000000, 0.0019080600000000 ] - [ -0.0004042700000000, -0.0002144500000000, -0.0001624200000000 ] - [ 0.0000916500000000, 0.0000118000000000, 0.0000801100000000 ] - [ 0.0001922700000000, 0.0001690000000000, -0.0002944000000000 ] - [ 0.0002946900000000, -0.0014980000000000, 0.0002555400000000 ] - [ 0.0014775900000000, 0.0005387400000000, 0.0011428100000000 ] - [ -0.0000612300000000, -0.0000928500000000, 0.0007041200000000 ] - [ -0.0027133400000000, -0.0025160500000000, -0.0038188500000000 ] - [ -0.0019871600000000, 0.0011715700000000, -0.0013832500000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000031000000000, 0.0000348900000000, -0.0001362500000000 ] - [ 0.0065331800000000, 0.0037493700000000, -0.0017082600000000 ] - [ -0.0014643600000000, 0.0002999100000000, 0.0012870900000000 ] - [ -0.0014875600000000, 0.0028366900000000, -0.0013086300000000 ] - [ -0.0003082900000000, 0.0007015900000000, -0.0007841100000000 ] - [ 0.0000484100000000, -0.0014829000000000, 0.0010033400000000 ] - [ -0.0001796600000000, 0.0002958300000000, 0.0006794000000000 ] - [ 0.0000779500000000, -0.0000461600000000, 0.0000985900000000 ] - [ 0.0000821000000000, -0.0000224900000000, -0.0002824100000000 ] - [ -0.0000285400000000, -0.0000172000000000, -0.0000293600000000 ] - [ -0.0001128900000000, 0.0000164900000000, -0.0002747700000000 ] - [ 0.0000319700000000, -0.0000077100000000, -0.0000870800000000 ] - [ -0.0000093500000000, 0.0000352000000000, -0.0001248200000000 ] - [ 0.0000147100000000, 0.0000173300000000, -0.0001100600000000 ] - [ 0.0000040800000000, -0.0000226300000000, -0.0001302300000000 ] - [ -0.0000115800000000, -0.0000140300000000, -0.0000928100000000 ] - [ -0.0004173500000000, 0.0017562000000000, 0.0004390600000000 ] - [ 0.0000009000000000, -0.0000052100000000, -0.0001557400000000 ] - [ 0.0000166400000000, -0.0000217000000000, -0.0001292100000000 ] - [ -0.0000016700000000, -0.0000324000000000, -0.0001000400000000 ] - [ -0.0000056100000000, 0.0000901200000000, -0.0002050600000000 ] - [ -0.0000032900000000, 0.0000299400000000, -0.0000952900000000 ] - [ -0.0000238000000000, -0.0000071000000000, -0.0000151000000000 ] - [ 0.0000468400000000, -0.0001949100000000, -0.0001329600000000 ] - [ -0.0001522300000000, 0.0005612500000000, -0.0000554800000000 ] - [ -0.0001955300000000, -0.0002268000000000, 0.0001427300000000 ] - [ 0.0000494200000000, -0.0000304500000000, -0.0002228400000000 ] - [ 0.0001616800000000, 0.0000976800000000, -0.0012755000000000 ] - [ -0.0005490800000000, -0.0005508300000000, 0.0014173500000000 ] - [ -0.0005984000000000, 0.0006904400000000, -0.0010302900000000 ] - [ -0.0042048000000000, 0.0139598700000000, 0.0044897800000000 ] - [ -0.0016903700000000, 0.0043980100000000, -0.0060878500000000 ] - [ 0.0010205400000000, 0.0023702900000000, -0.0017291100000000 ] - [ 0.0019079600000000, -0.0576937100000000, 0.0049783400000000 ] - [ -0.0052609700000000, 0.0018507400000000, 0.0007644500000000 ] - [ -0.0003618000000000, -0.0013322700000000, 0.0006391600000000 ] - [ 0.0000156700000000, -0.0002473800000000, -0.0003681300000000 ] - [ -0.0013378300000000, 0.0009533000000000, 0.0004557700000000 ] - [ 0.0036131100000000, 0.0022688200000000, 0.0030750900000000 ] - [ -0.0000208700000000, -0.0001947000000000, -0.0002353200000000 ] - [ 0.0001383700000000, 0.0003819600000000, 0.0000455800000000 ] - [ -0.0000402100000000, 0.0026398100000000, -0.0022406300000000 ] - [ -0.0000051200000000, 0.0000266900000000, 0.0000786700000000 ] - [ -0.0001698000000000, 0.0002019100000000, 0.0009872400000000 ] - [ 0.0000433100000000, 0.0000458800000000, 0.0001518600000000 ] - [ 0.0000827400000000, 0.0000016700000000, -0.0002240300000000 ] - [ 0.0000459100000000, -0.0000263600000000, 0.0000762300000000 ] - [ 0.0000067000000000, 0.0000280400000000, 0.0000735600000000 ] - [ -0.0000135900000000, 0.0000308300000000, -0.0000002300000000 ] - [ -0.0001029700000000, -0.0000799700000000, 0.0002249600000000 ] - [ 0.0000023500000000, -0.0000587400000000, -0.0000131100000000 ] - [ 0.0000099900000000, -0.0000298600000000, 0.0000851400000000 ] - [ -0.0000162700000000, 0.0000072700000000, 0.0000865700000000 ] - [ -0.0000067300000000, -0.0000211600000000, 0.0000904100000000 ] - [ 0.0000270300000000, 0.0000043400000000, 0.0000798000000000 ] - [ -0.0000217900000000, -0.0000028500000000, 0.0000773700000000 ] - [ -0.0000115100000000, 0.0000126800000000, 0.0000836000000000 ] - [ -0.0000260400000000, 0.0000220500000000, 0.0000955200000000 ] - [ 0.0000289300000000, -0.0000141900000000, 0.0000987200000000 ] - [ 0.0000102300000000, 0.0000348000000000, 0.0000984500000000 ] - [ -0.0000379400000000, 0.0000516100000000, 0.0000877300000000 ] - [ 0.0000032100000000, -0.0000108400000000, 0.0001214200000000 ] - [ 0.0000292800000000, -0.0000351500000000, 0.0000235700000000 ] - [ 0.0000226800000000, 0.0000433100000000, 0.0001829500000000 ] - [ 0.0000409200000000, 0.0000103600000000, 0.0000426900000000 ] - [ -0.0000140000000000, 0.0000264500000000, 0.0000083600000000 ] - [ -0.0002535400000000, -0.0009368800000000, -0.0011335600000000 ] - [ 0.0000142800000000, -0.0000503200000000, 0.0001125900000000 ] - [ 0.0001237400000000, -0.0001897000000000, 0.0003217200000000 ] - [ -0.0000091800000000, 0.0000571500000000, 0.0000400500000000 ] - [ 0.0000456100000000, 0.0000205700000000, -0.0002055600000000 ] - [ 0.0006783100000000, 0.0000778700000000, -0.0012242000000000 ] - [ 0.0003788100000000, 0.0004226200000000, 0.0003119500000000 ] - [ -0.0001023300000000, 0.0001692200000000, 0.0004900800000000 ] - [ 0.0000882800000000, 0.0000065400000000, 0.0004164800000000 ] - [ -0.0011417800000000, 0.0011430100000000, -0.0003287800000000 ] - [ 0.0021423500000000, 0.0189912600000000, -0.0068494300000000 ] - [ -0.0006735100000000, 0.0012054900000000, 0.0015126500000000 ] - [ 0.0032740500000000, 0.0015090300000000, 0.0040766000000000 ] - [ 0.0002130000000000, -0.0005797600000000, -0.0005264000000000 ]- atom: 34 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000115300000000, 0.0000058200000000, 0.0000994900000000 ] - [ -0.0065107500000000, -0.0037673300000000, 0.0016361700000000 ] - [ 0.0015350300000000, -0.0007485100000000, -0.0015093900000000 ] - [ 0.0014937400000000, -0.0028226800000000, 0.0013646100000000 ] - [ 0.0003234200000000, -0.0006623700000000, 0.0008146000000000 ] - [ -0.0000481000000000, 0.0015303200000000, -0.0010004600000000 ] - [ 0.0001619600000000, -0.0003190300000000, -0.0006346900000000 ] - [ -0.0001157200000000, 0.0000599800000000, -0.0001342300000000 ] - [ -0.0000833300000000, 0.0000252100000000, 0.0002305900000000 ] - [ -0.0000290800000000, 0.0000173900000000, 0.0000320600000000 ] - [ 0.0001520700000000, -0.0000362800000000, 0.0002350400000000 ] - [ 0.0000260700000000, 0.0000078700000000, 0.0000886000000000 ] - [ 0.0000093100000000, -0.0000348700000000, 0.0001825300000000 ] - [ 0.0000255100000000, -0.0000024500000000, 0.0001497400000000 ] - [ 0.0000102700000000, -0.0000172800000000, 0.0000934800000000 ] - [ -0.0000288800000000, 0.0000000400000000, 0.0001326200000000 ] - [ 0.0002819000000000, -0.0018102500000000, -0.0004506400000000 ] - [ -0.0000005800000000, 0.0000053600000000, 0.0001014100000000 ] - [ -0.0000167000000000, -0.0000353800000000, 0.0001304800000000 ] - [ 0.0000016600000000, 0.0000329400000000, 0.0001579700000000 ] - [ 0.0000196500000000, -0.0000489500000000, 0.0002441600000000 ] - [ 0.0000035200000000, 0.0000279400000000, 0.0000972700000000 ] - [ 0.0000090600000000, -0.0000327500000000, 0.0000551100000000 ] - [ -0.0000877900000000, 0.0002103600000000, 0.0000980600000000 ] - [ 0.0001527100000000, -0.0005544700000000, -0.0000013900000000 ] - [ 0.0001352500000000, 0.0002243400000000, -0.0001353700000000 ] - [ -0.0000090500000000, 0.0000166400000000, 0.0001855500000000 ] - [ -0.0001056000000000, -0.0000965700000000, 0.0012745000000000 ] - [ 0.0005525700000000, 0.0005347800000000, -0.0013750500000000 ] - [ 0.0006396600000000, -0.0006666100000000, 0.0010593400000000 ] - [ 0.0040523200000000, -0.0130342700000000, -0.0042552400000000 ] - [ 0.0016500500000000, -0.0043737800000000, 0.0061542100000000 ] - [ -0.0009758500000000, -0.0023295400000000, 0.0018093200000000 ] - [ -0.0017272200000000, 0.0573103600000000, -0.0052115600000000 ] - [ 0.0052737100000000, -0.0018887700000000, -0.0007363100000000 ] - [ 0.0003808100000000, 0.0013395700000000, -0.0005789500000000 ] - [ -0.0000605100000000, 0.0002239500000000, 0.0003506700000000 ] - [ 0.0013303600000000, -0.0009726200000000, -0.0003517100000000 ] - [ -0.0036114400000000, -0.0022975600000000, -0.0031827400000000 ] - [ 0.0000297900000000, 0.0001972900000000, 0.0002213800000000 ] - [ -0.0001383600000000, -0.0003706200000000, -0.0000336400000000 ] - [ 0.0000163600000000, -0.0025940700000000, 0.0021119100000000 ] - [ 0.0000360700000000, -0.0000131500000000, 0.0000161800000000 ] - [ 0.0001755700000000, -0.0002048200000000, -0.0009875100000000 ] - [ -0.0000745300000000, -0.0000588600000000, -0.0000574500000000 ] - [ -0.0000913000000000, -0.0000039400000000, 0.0002069000000000 ] - [ -0.0000252100000000, -0.0000185100000000, -0.0000566100000000 ] - [ 0.0000144300000000, 0.0000157800000000, -0.0000939600000000 ] - [ -0.0000170700000000, -0.0000185500000000, -0.0000957800000000 ] - [ 0.0000813000000000, 0.0001250100000000, -0.0002046700000000 ] - [ 0.0000282600000000, 0.0000459800000000, -0.0000835600000000 ] - [ -0.0000082700000000, 0.0000394500000000, -0.0000991400000000 ] - [ 0.0000143000000000, -0.0000162500000000, -0.0001006900000000 ] - [ -0.0000141900000000, -0.0000219100000000, -0.0001111900000000 ] - [ -0.0000183200000000, -0.0000059700000000, -0.0000681400000000 ] - [ 0.0000130000000000, 0.0000055500000000, -0.0000663400000000 ] - [ 0.0000248100000000, 0.0000186400000000, 0.0000111000000000 ] - [ -0.0000176300000000, -0.0000007200000000, -0.0000766700000000 ] - [ 0.0000149300000000, -0.0000061200000000, -0.0000797900000000 ] - [ 0.0000334700000000, -0.0000128400000000, -0.0001194900000000 ] - [ -0.0000057400000000, -0.0000721600000000, -0.0001088500000000 ] - [ -0.0000163400000000, -0.0000196200000000, -0.0000262200000000 ] - [ -0.0000165800000000, 0.0000047000000000, -0.0001198300000000 ] - [ -0.0000131900000000, -0.0000410200000000, -0.0001976300000000 ] - [ -0.0000424700000000, -0.0000014600000000, -0.0000313100000000 ] - [ 0.0000008300000000, 0.0000047300000000, -0.0001052100000000 ] - [ 0.0002865500000000, 0.0009427000000000, 0.0012233900000000 ] - [ -0.0000118400000000, 0.0000417700000000, -0.0001005300000000 ] - [ -0.0001542400000000, 0.0001721700000000, -0.0002259200000000 ] - [ -0.0000003400000000, -0.0000579100000000, -0.0000545700000000 ] - [ -0.0000255300000000, -0.0000609200000000, 0.0002229900000000 ] - [ -0.0006465300000000, -0.0000276600000000, 0.0011904300000000 ] - [ -0.0004119300000000, -0.0004080600000000, -0.0004058900000000 ] - [ 0.0000819000000000, -0.0001241900000000, -0.0004699600000000 ] - [ -0.0000577000000000, -0.0000095500000000, -0.0005207000000000 ] - [ 0.0011320700000000, -0.0011168900000000, 0.0003188400000000 ] - [ -0.0021377800000000, -0.0191554300000000, 0.0069838400000000 ] - [ 0.0006515300000000, -0.0012554700000000, -0.0015099700000000 ] - [ -0.0032478500000000, -0.0015168900000000, -0.0040474000000000 ] - [ -0.0002407400000000, 0.0005792300000000, 0.0005318300000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000213100000000, 0.0000299700000000, -0.0009240000000000 ] - [ -0.0049645100000000, -0.0010488500000000, 0.0066483600000000 ] - [ -0.0005681900000000, -0.0001222600000000, 0.0042727700000000 ] - [ 0.0026281800000000, -0.0012148000000000, 0.0068181400000000 ] - [ 0.0003690200000000, -0.0004654800000000, 0.0001755100000000 ] - [ -0.0005705200000000, -0.0004930300000000, 0.0021467100000000 ] - [ -0.0000075200000000, 0.0015314000000000, 0.0005500800000000 ] - [ -0.0000163100000000, 0.0001219100000000, -0.0003671800000000 ] - [ 0.0001004600000000, 0.0000469600000000, -0.0007609100000000 ] - [ -0.0001589700000000, 0.0001530000000000, -0.0010121200000000 ] - [ -0.0002951600000000, -0.0004695600000000, -0.0015861700000000 ] - [ 0.0001438900000000, -0.0000954900000000, -0.0010652200000000 ] - [ 0.0000362400000000, 0.0000295900000000, -0.0010779900000000 ] - [ -0.0000214000000000, 0.0000608800000000, -0.0008897700000000 ] - [ -0.0000067600000000, -0.0000250300000000, -0.0009207100000000 ] - [ 0.0000349400000000, -0.0000550300000000, -0.0008397700000000 ] - [ -0.0003138200000000, -0.0007340600000000, 0.0048032800000000 ] - [ 0.0000075000000000, 0.0000068300000000, -0.0010874700000000 ] - [ 0.0001127600000000, -0.0000202100000000, -0.0009626300000000 ] - [ 0.0000130100000000, -0.0000010700000000, -0.0010265000000000 ] - [ 0.0000277400000000, -0.0000591900000000, -0.0009134700000000 ] - [ -0.0001435300000000, 0.0000322500000000, -0.0010541200000000 ] - [ -0.0000058300000000, -0.0000342500000000, -0.0008609500000000 ] - [ -0.0000855900000000, 0.0002435800000000, -0.0011113600000000 ] - [ 0.0006575200000000, -0.0001298100000000, -0.0008481700000000 ] - [ -0.0000471200000000, 0.0003516800000000, -0.0007269100000000 ] - [ 0.0001048900000000, 0.0000874800000000, -0.0007860200000000 ] - [ 0.0001026400000000, -0.0009666000000000, -0.0009556100000000 ] - [ 0.0005774200000000, -0.0001010700000000, 0.0001996900000000 ] - [ -0.0008860800000000, -0.0002202900000000, 0.0017775000000000 ] - [ -0.0012839400000000, 0.0053519400000000, 0.0056116700000000 ] - [ 0.0068449400000000, -0.0066959100000000, 0.0217825500000000 ] - [ 0.0000301700000000, 0.0004439200000000, -0.0007365600000000 ] - [ -0.0021743600000000, 0.0052510600000000, -0.0683613500000000 ] - [ -0.0010504700000000, -0.0007720800000000, -0.0036134100000000 ] - [ -0.0068729100000000, -0.0005907200000000, 0.0133978000000000 ] - [ 0.0013364600000000, -0.0003695200000000, -0.0008765200000000 ] - [ -0.0014744600000000, 0.0003136000000000, -0.0008860700000000 ] - [ 0.0037477400000000, 0.0031053300000000, 0.0006664100000000 ] - [ 0.0002495900000000, 0.0005627400000000, 0.0009304000000000 ] - [ 0.0000668300000000, 0.0002329200000000, 0.0000427900000000 ] - [ 0.0006143400000000, -0.0022567900000000, -0.0004165700000000 ] - [ 0.0000022100000000, -0.0000986500000000, 0.0004474600000000 ] - [ -0.0001183900000000, -0.0002658800000000, 0.0002235500000000 ] - [ -0.0000137200000000, 0.0002523700000000, 0.0005617800000000 ] - [ -0.0001748300000000, -0.0003704500000000, 0.0008470700000000 ] - [ -0.0002031100000000, -0.0003922100000000, 0.0007061600000000 ] - [ -0.0000908100000000, 0.0000221200000000, 0.0007162900000000 ] - [ -0.0001430700000000, 0.0000223900000000, 0.0005684100000000 ] - [ -0.0004886700000000, 0.0000938400000000, 0.0007415800000000 ] - [ 0.0000590200000000, -0.0001775300000000, 0.0003590000000000 ] - [ 0.0000990500000000, -0.0001050000000000, 0.0007970100000000 ] - [ -0.0001077400000000, 0.0001015200000000, 0.0007337500000000 ] - [ 0.0000737900000000, 0.0000052400000000, 0.0007165200000000 ] - [ 0.0001039800000000, 0.0001052200000000, 0.0007674000000000 ] - [ -0.0000994200000000, -0.0001047700000000, 0.0007732700000000 ] - [ -0.0001281500000000, -0.0000523100000000, 0.0005515000000000 ] - [ -0.0000016600000000, 0.0000963500000000, 0.0006671000000000 ] - [ 0.0000070100000000, -0.0000991200000000, 0.0006769300000000 ] - [ 0.0000283200000000, -0.0000990700000000, 0.0006388600000000 ] - [ -0.0000383200000000, 0.0000884900000000, 0.0006720700000000 ] - [ 0.0000994400000000, 0.0000712600000000, 0.0005508600000000 ] - [ 0.0001230400000000, -0.0000782700000000, 0.0004407300000000 ] - [ -0.0000791400000000, 0.0001156900000000, 0.0007543300000000 ] - [ 0.0000471700000000, 0.0001253400000000, 0.0008440500000000 ] - [ -0.0001215800000000, 0.0000764600000000, 0.0004388100000000 ] - [ 0.0005142000000000, 0.0017722500000000, 0.0038632700000000 ] - [ -0.0001238800000000, -0.0001014600000000, 0.0007222000000000 ] - [ 0.0002050000000000, 0.0002842800000000, 0.0000797800000000 ] - [ 0.0001750300000000, -0.0001114300000000, 0.0006621100000000 ] - [ 0.0000761800000000, -0.0000359000000000, 0.0007072900000000 ] - [ -0.0015168400000000, -0.0007033100000000, 0.0007965800000000 ] - [ 0.0003107200000000, 0.0001661200000000, 0.0002030200000000 ] - [ -0.0002256100000000, 0.0000724400000000, 0.0007414400000000 ] - [ -0.0000740100000000, -0.0008595200000000, 0.0004010300000000 ] - [ -0.0003484700000000, 0.0001880900000000, -0.0018460600000000 ] - [ 0.0002801100000000, -0.0056547700000000, 0.0006941300000000 ] - [ -0.0012239900000000, 0.0019089500000000, 0.0007989100000000 ] - [ 0.0038042900000000, 0.0028564800000000, 0.0020829800000000 ] - [ 0.0024327400000000, -0.0001311600000000, -0.0002573200000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000357700000000, 0.0000103500000000, 0.0008830900000000 ] - [ 0.0049685700000000, 0.0010389000000000, -0.0066507500000000 ] - [ 0.0005851100000000, -0.0000709600000000, -0.0043447400000000 ] - [ -0.0029283700000000, 0.0013205800000000, -0.0072544100000000 ] - [ -0.0003549700000000, 0.0005097400000000, -0.0001585800000000 ] - [ 0.0005707300000000, 0.0005450500000000, -0.0021446600000000 ] - [ -0.0000024000000000, -0.0015720600000000, -0.0005343700000000 ] - [ -0.0000239600000000, -0.0001103900000000, 0.0003215900000000 ] - [ -0.0001008000000000, -0.0000473100000000, 0.0006982300000000 ] - [ 0.0001032700000000, -0.0001521500000000, 0.0010087700000000 ] - [ 0.0003354300000000, 0.0004583700000000, 0.0015338300000000 ] - [ -0.0000877400000000, 0.0000947800000000, 0.0010624700000000 ] - [ -0.0000369100000000, -0.0000297100000000, 0.0011311700000000 ] - [ 0.0000618900000000, -0.0000467300000000, 0.0009249900000000 ] - [ 0.0000207400000000, -0.0000153500000000, 0.0008799000000000 ] - [ -0.0000761200000000, 0.0000408900000000, 0.0008751300000000 ] - [ 0.0003012400000000, 0.0007837100000000, -0.0048170600000000 ] - [ -0.0000072100000000, -0.0000071400000000, 0.0010281500000000 ] - [ -0.0001125400000000, -0.0000369600000000, 0.0009597200000000 ] - [ -0.0000130900000000, 0.0000011900000000, 0.0010792100000000 ] - [ -0.0000132600000000, 0.0000989200000000, 0.0009490500000000 ] - [ 0.0001428800000000, 0.0000253100000000, 0.0010508100000000 ] - [ -0.0000084900000000, -0.0000067800000000, 0.0008967800000000 ] - [ 0.0000455100000000, -0.0002277500000000, 0.0010666700000000 ] - [ -0.0006509900000000, 0.0001280200000000, 0.0007912000000000 ] - [ -0.0000117700000000, -0.0003508400000000, 0.0007296700000000 ] - [ -0.0000633000000000, -0.0001011600000000, 0.0007464600000000 ] - [ -0.0000494100000000, 0.0009624900000000, 0.0009634400000000 ] - [ -0.0005720500000000, 0.0001009100000000, -0.0001372700000000 ] - [ 0.0009298800000000, 0.0002342200000000, -0.0017111400000000 ] - [ 0.0012843100000000, -0.0053532500000000, -0.0056513600000000 ] - [ -0.0065552000000000, 0.0064041000000000, -0.0206012700000000 ] - [ -0.0000280200000000, -0.0004295700000000, 0.0008414900000000 ] - [ 0.0019347100000000, -0.0049498000000000, 0.0679280300000000 ] - [ 0.0011497800000000, 0.0007276700000000, 0.0036135000000000 ] - [ 0.0070419600000000, 0.0006279100000000, -0.0136319100000000 ] - [ -0.0014028300000000, 0.0003488200000000, 0.0008744900000000 ] - [ 0.0014448800000000, -0.0003286900000000, 0.0009928300000000 ] - [ -0.0037412600000000, -0.0031564800000000, -0.0007598000000000 ] - [ -0.0002438700000000, -0.0005613000000000, -0.0009426500000000 ] - [ -0.0000673900000000, -0.0002212900000000, -0.0000240100000000 ] - [ -0.0006230100000000, 0.0022887600000000, 0.0003261500000000 ] - [ 0.0000284300000000, 0.0001114000000000, -0.0003496500000000 ] - [ 0.0001197700000000, 0.0002581800000000, -0.0002063000000000 ] - [ -0.0000164600000000, -0.0002663200000000, -0.0004643300000000 ] - [ 0.0001708600000000, 0.0003673600000000, -0.0008602800000000 ] - [ 0.0002264900000000, 0.0003531100000000, -0.0006857500000000 ] - [ 0.0001115900000000, 0.0000220500000000, -0.0007349500000000 ] - [ 0.0001134300000000, -0.0000094400000000, -0.0006606700000000 ] - [ 0.0004705100000000, -0.0000524200000000, -0.0007190800000000 ] - [ -0.0000277800000000, 0.0001646200000000, -0.0004526900000000 ] - [ -0.0000968000000000, 0.0001141300000000, -0.0008070800000000 ] - [ 0.0001052400000000, -0.0001104300000000, -0.0007442000000000 ] - [ -0.0000944300000000, -0.0000493700000000, -0.0007348600000000 ] - [ -0.0000943600000000, -0.0001066900000000, -0.0007519500000000 ] - [ 0.0000899600000000, 0.0001065000000000, -0.0007581200000000 ] - [ 0.0001405300000000, 0.0000830400000000, -0.0004542400000000 ] - [ -0.0000417300000000, -0.0000750100000000, -0.0006448900000000 ] - [ 0.0000364300000000, 0.0000783500000000, -0.0006548200000000 ] - [ 0.0000151500000000, 0.0001194800000000, -0.0006570500000000 ] - [ -0.0000055900000000, -0.0001089000000000, -0.0006900300000000 ] - [ -0.0001122600000000, -0.0001013400000000, -0.0004531600000000 ] - [ -0.0001098300000000, 0.0000472200000000, -0.0005348500000000 ] - [ 0.0000874600000000, -0.0001134800000000, -0.0007651500000000 ] - [ -0.0000494400000000, -0.0001154000000000, -0.0008285600000000 ] - [ 0.0001080900000000, -0.0000454400000000, -0.0005333700000000 ] - [ -0.0004763400000000, -0.0017394800000000, -0.0037268500000000 ] - [ 0.0001252200000000, 0.0000920700000000, -0.0007079000000000 ] - [ -0.0002363000000000, -0.0002947300000000, 0.0000118300000000 ] - [ -0.0001835400000000, 0.0001092800000000, -0.0006737900000000 ] - [ -0.0000555600000000, -0.0000087000000000, -0.0006846700000000 ] - [ 0.0015070200000000, 0.0007413500000000, -0.0008074900000000 ] - [ -0.0003422700000000, -0.0001545700000000, -0.0003002900000000 ] - [ 0.0002031300000000, -0.0000288600000000, -0.0007193000000000 ] - [ 0.0001051900000000, 0.0008295700000000, -0.0004913700000000 ] - [ 0.0003511500000000, -0.0001792400000000, 0.0018228300000000 ] - [ -0.0002717100000000, 0.0056121700000000, -0.0007282400000000 ] - [ 0.0011900100000000, -0.0019214100000000, -0.0008054000000000 ] - [ -0.0037701200000000, -0.0028398800000000, -0.0020862700000000 ] - [ -0.0024313200000000, 0.0001361800000000, 0.0002500900000000 ]- atom: 40 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000511200000000, -0.0000648600000000, 0.0002033500000000 ] - [ -0.0006276700000000, -0.0001833800000000, 0.0002090500000000 ] - [ 0.0003448800000000, 0.0002680400000000, -0.0008547900000000 ] - [ 0.0036804200000000, 0.0017102700000000, 0.0008098900000000 ] - [ 0.0125950200000000, 0.0013950700000000, -0.0064930300000000 ] - [ 0.0006366300000000, 0.0001769600000000, 0.0004379000000000 ] - [ -0.0020561300000000, 0.0000102500000000, -0.0013826000000000 ] - [ 0.0051898400000000, -0.0021567100000000, 0.0000750900000000 ] - [ -0.0005683700000000, -0.0011491400000000, -0.0006492200000000 ] - [ 0.0007491400000000, 0.0002771600000000, 0.0011983100000000 ] - [ 0.0205851300000000, 0.0073315800000000, -0.0058801500000000 ] - [ 0.0032128100000000, 0.0010954700000000, 0.0052262900000000 ] - [ -0.0008986500000000, 0.0004434600000000, -0.0011190600000000 ] - [ 0.0000888300000000, 0.0001023700000000, 0.0009893200000000 ] - [ -0.0002404300000000, -0.0000168500000000, 0.0000688500000000 ] - [ -0.0001098400000000, 0.0000528200000000, -0.0001258200000000 ] - [ 0.0000401300000000, 0.0001705100000000, 0.0004176900000000 ] - [ 0.0000791700000000, -0.0001707400000000, -0.0000120900000000 ] - [ -0.0000351400000000, -0.0000153700000000, 0.0001002300000000 ] - [ -0.0000202300000000, -0.0000093200000000, 0.0002011400000000 ] - [ 0.0000103500000000, 0.0000212700000000, 0.0001635500000000 ] - [ 0.0001174700000000, 0.0000338000000000, 0.0003190600000000 ] - [ -0.0000131200000000, -0.0000282000000000, 0.0001386800000000 ] - [ 0.0000000800000000, 0.0000037100000000, 0.0001293300000000 ] - [ 0.0000079700000000, 0.0000073000000000, 0.0001440600000000 ] - [ -0.0000235800000000, -0.0000321200000000, 0.0002036300000000 ] - [ 0.0000137700000000, -0.0000026900000000, 0.0001256600000000 ] - [ 0.0000284200000000, 0.0000036700000000, 0.0001471500000000 ] - [ 0.0000317200000000, -0.0000044500000000, 0.0002184500000000 ] - [ 0.0000163500000000, 0.0000493000000000, 0.0001539600000000 ] - [ -0.0001043300000000, -0.0001313800000000, 0.0000227100000000 ] - [ -0.0000630200000000, 0.0000125000000000, 0.0000508200000000 ] - [ 0.0007335800000000, -0.0002144000000000, -0.0000290600000000 ] - [ 0.0000615800000000, -0.0000146300000000, 0.0002586700000000 ] - [ -0.0002758700000000, 0.0000769300000000, 0.0001816600000000 ] - [ 0.0020148600000000, -0.0002117800000000, 0.0024371000000000 ] - [ 0.0026958500000000, -0.0032623300000000, -0.0037972100000000 ] - [ -0.0001147400000000, 0.0001410700000000, -0.0013289400000000 ] - [ -0.0009913000000000, 0.0000899600000000, -0.0006646600000000 ] - [ -0.0777650100000000, -0.0136087600000000, 0.0050421300000000 ] - [ 0.0010513600000000, 0.0009493500000000, 0.0000655600000000 ] - [ -0.0001498800000000, 0.0000878800000000, -0.0000742500000000 ] - [ -0.0002971400000000, -0.0007781600000000, 0.0005658800000000 ] - [ 0.0022842800000000, -0.0009643700000000, 0.0019887800000000 ] - [ 0.0020819900000000, -0.0020468000000000, -0.0021902500000000 ] - [ 0.0034499200000000, 0.0091097900000000, -0.0000177400000000 ] - [ 0.0011489600000000, 0.0014826900000000, 0.0001923400000000 ] - [ 0.0003880500000000, -0.0002321800000000, -0.0002396300000000 ] - [ 0.0021167500000000, 0.0006674000000000, -0.0017668900000000 ] - [ 0.0189778100000000, -0.0004992200000000, 0.0055753200000000 ] - [ 0.0001244200000000, -0.0004664900000000, 0.0013052900000000 ] - [ 0.0001773900000000, 0.0000941600000000, -0.0005534800000000 ] - [ 0.0000613900000000, -0.0000306200000000, 0.0000425700000000 ] - [ 0.0001955500000000, -0.0000319000000000, -0.0002712800000000 ] - [ -0.0004829900000000, 0.0005177100000000, 0.0009692900000000 ] - [ -0.0001430800000000, 0.0000221900000000, -0.0003407000000000 ] - [ 0.0000157500000000, -0.0000422100000000, 0.0000556600000000 ] - [ 0.0000174200000000, 0.0000286400000000, -0.0000719200000000 ] - [ 0.0000351100000000, -0.0000149200000000, -0.0001688800000000 ] - [ 0.0000353600000000, 0.0000276900000000, -0.0001041100000000 ] - [ -0.0000439400000000, -0.0000332800000000, -0.0001088000000000 ] - [ -0.0000493700000000, -0.0000034300000000, -0.0000505300000000 ] - [ 0.0000168500000000, 0.0000257200000000, -0.0001517200000000 ] - [ 0.0000274700000000, -0.0000041100000000, -0.0001358200000000 ] - [ -0.0000345900000000, -0.0000128400000000, -0.0001391500000000 ] - [ 0.0000904500000000, 0.0000132800000000, -0.0001396100000000 ] - [ 0.0000289600000000, 0.0000268200000000, -0.0000182500000000 ] - [ 0.0000141400000000, 0.0000126700000000, -0.0000895500000000 ] - [ -0.0000389700000000, -0.0000512400000000, -0.0000227500000000 ] - [ -0.0000182600000000, 0.0000046500000000, -0.0001437000000000 ] - [ -0.0000242200000000, -0.0000248400000000, -0.0000987700000000 ] - [ 0.0000156200000000, 0.0000104800000000, -0.0001302500000000 ] - [ 0.0000023400000000, -0.0000065700000000, -0.0001349300000000 ] - [ 0.0000011500000000, 0.0000284000000000, -0.0000950500000000 ] - [ -0.0000047000000000, 0.0000127300000000, -0.0001308900000000 ] - [ -0.0000901400000000, 0.0000938000000000, -0.0002087400000000 ] - [ -0.0000212600000000, -0.0000308800000000, -0.0000837100000000 ] - [ -0.0000565300000000, -0.0000093400000000, -0.0001064400000000 ] - [ 0.0000415100000000, -0.0000376100000000, -0.0000493300000000 ] - [ 0.0000796400000000, -0.0000913900000000, -0.0002606500000000 ]- atom: 40 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000364700000000, 0.0001048600000000, -0.0002399200000000 ] - [ 0.0006243000000000, 0.0001783800000000, -0.0002675800000000 ] - [ -0.0003311200000000, -0.0003226300000000, 0.0008503100000000 ] - [ -0.0036594000000000, -0.0017035500000000, -0.0007085300000000 ] - [ -0.0132731600000000, -0.0015302300000000, 0.0069355400000000 ] - [ -0.0006388200000000, -0.0001181200000000, -0.0004308500000000 ] - [ 0.0020280500000000, -0.0000503900000000, 0.0014199600000000 ] - [ -0.0053522800000000, 0.0023644300000000, -0.0001314600000000 ] - [ 0.0005469800000000, 0.0011602100000000, 0.0005991200000000 ] - [ -0.0007937800000000, -0.0002723800000000, -0.0011927200000000 ] - [ -0.0193175300000000, -0.0071265900000000, 0.0055211600000000 ] - [ -0.0030964400000000, -0.0011099300000000, -0.0052382400000000 ] - [ 0.0008764300000000, -0.0004509300000000, 0.0011842300000000 ] - [ -0.0000443800000000, -0.0000882300000000, -0.0009440400000000 ] - [ 0.0002532800000000, -0.0000234900000000, -0.0001086900000000 ] - [ 0.0000658800000000, -0.0000597400000000, 0.0001564900000000 ] - [ -0.0000594900000000, -0.0001311200000000, -0.0004567000000000 ] - [ -0.0000785300000000, 0.0001677000000000, -0.0000481400000000 ] - [ 0.0000353000000000, -0.0000416300000000, -0.0001027000000000 ] - [ 0.0000195800000000, 0.0000096200000000, -0.0001475100000000 ] - [ 0.0000038300000000, 0.0000190700000000, -0.0001269700000000 ] - [ -0.0001167400000000, 0.0000239200000000, -0.0003198200000000 ] - [ -0.0000015000000000, -0.0000126400000000, -0.0001024000000000 ] - [ -0.0000404100000000, 0.0000104500000000, -0.0001692700000000 ] - [ -0.0000081600000000, -0.0000072200000000, -0.0002018400000000 ] - [ -0.0000340300000000, 0.0000324000000000, -0.0002060300000000 ] - [ 0.0000263500000000, -0.0000116500000000, -0.0001655900000000 ] - [ 0.0000287000000000, -0.0000039300000000, -0.0001489800000000 ] - [ -0.0000316600000000, 0.0000042500000000, -0.0001647700000000 ] - [ 0.0000230600000000, -0.0000358900000000, -0.0001167600000000 ] - [ 0.0001172000000000, 0.0000891800000000, -0.0000625400000000 ] - [ 0.0000225900000000, -0.0000265000000000, -0.0000147700000000 ] - [ -0.0007178900000000, 0.0002437300000000, 0.0001238600000000 ] - [ -0.0001082600000000, 0.0000360700000000, -0.0002346300000000 ] - [ 0.0003210000000000, -0.0000974200000000, -0.0001637800000000 ] - [ -0.0019590600000000, 0.0002423800000000, -0.0024276100000000 ] - [ -0.0027282900000000, 0.0032595900000000, 0.0037767900000000 ] - [ 0.0001149100000000, -0.0001731300000000, 0.0014466000000000 ] - [ 0.0010073000000000, -0.0001066700000000, 0.0005265600000000 ] - [ 0.0774411300000000, 0.0133441800000000, -0.0050320700000000 ] - [ -0.0010432600000000, -0.0009492800000000, -0.0000609800000000 ] - [ 0.0001341800000000, -0.0000606800000000, -0.0000236600000000 ] - [ 0.0003338800000000, 0.0008032000000000, -0.0004635600000000 ] - [ -0.0022626500000000, 0.0009348500000000, -0.0019677300000000 ] - [ -0.0021166700000000, 0.0020123500000000, 0.0022566000000000 ] - [ -0.0034846200000000, -0.0090565200000000, 0.0000013000000000 ] - [ -0.0011107100000000, -0.0015058500000000, -0.0001745000000000 ] - [ -0.0003644400000000, 0.0002758200000000, 0.0002143500000000 ] - [ -0.0021544900000000, -0.0006531800000000, 0.0016460100000000 ] - [ -0.0191690400000000, 0.0005116500000000, -0.0056920000000000 ] - [ -0.0000815300000000, 0.0004300700000000, -0.0013793900000000 ] - [ -0.0001754900000000, -0.0000843900000000, 0.0005405700000000 ] - [ -0.0000604900000000, 0.0000220600000000, -0.0000527200000000 ] - [ -0.0002115200000000, -0.0000127700000000, 0.0002527900000000 ] - [ 0.0004812600000000, -0.0005111700000000, -0.0009349800000000 ] - [ 0.0001297100000000, -0.0000207300000000, 0.0003525400000000 ] - [ -0.0000035400000000, 0.0000719400000000, 0.0000419600000000 ] - [ -0.0000595800000000, -0.0000070300000000, 0.0000947800000000 ] - [ 0.0000076300000000, -0.0000062100000000, 0.0001899800000000 ] - [ 0.0000083500000000, -0.0000067100000000, 0.0000849800000000 ] - [ -0.0000002900000000, 0.0000122200000000, 0.0000893000000000 ] - [ 0.0000356400000000, -0.0000271200000000, 0.0001468800000000 ] - [ -0.0000032900000000, -0.0000565100000000, 0.0000570100000000 ] - [ -0.0000188300000000, 0.0000062600000000, 0.0001247900000000 ] - [ 0.0000325600000000, 0.0000219800000000, 0.0001537100000000 ] - [ -0.0001041700000000, 0.0000176100000000, 0.0000444000000000 ] - [ 0.0000013500000000, -0.0000141900000000, 0.0001151300000000 ] - [ -0.0000126100000000, -0.0000219800000000, 0.0001038200000000 ] - [ 0.0000084200000000, 0.0000388900000000, 0.0001193100000000 ] - [ 0.0000087900000000, -0.0000065300000000, 0.0001326600000000 ] - [ 0.0000452400000000, -0.0000185300000000, 0.0001206900000000 ] - [ 0.0000041000000000, 0.0000331000000000, 0.0001101600000000 ] - [ -0.0000335500000000, 0.0000193300000000, 0.0000402500000000 ] - [ -0.0000224800000000, 0.0000152900000000, 0.0001169600000000 ] - [ 0.0000354100000000, -0.0000262400000000, 0.0000360200000000 ] - [ 0.0000923800000000, -0.0000847900000000, 0.0001971400000000 ] - [ 0.0000187400000000, 0.0000218100000000, 0.0000719700000000 ] - [ 0.0000355000000000, -0.0000341600000000, 0.0000869600000000 ] - [ -0.0000323400000000, 0.0000360900000000, 0.0000637900000000 ] - [ -0.0000889300000000, 0.0000936600000000, 0.0002770600000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000114300000000, -0.0000292900000000, -0.0001098500000000 ] - [ 0.0000632800000000, 0.0004652600000000, -0.0005904800000000 ] - [ 0.0002744600000000, -0.0000203100000000, 0.0001038900000000 ] - [ 0.0011297700000000, 0.0053767900000000, 0.0034574100000000 ] - [ 0.0017364700000000, 0.0014939200000000, -0.0008461400000000 ] - [ -0.0002154000000000, -0.0007891000000000, 0.0000673200000000 ] - [ -0.0013898500000000, -0.0006420900000000, -0.0007898200000000 ] - [ -0.0037664800000000, 0.0082877100000000, -0.0016572000000000 ] - [ 0.0005563200000000, -0.0004124300000000, 0.0002949600000000 ] - [ -0.0001818500000000, -0.0005920000000000, 0.0021794200000000 ] - [ 0.0074818400000000, 0.0031431800000000, -0.0007257000000000 ] - [ 0.0012941300000000, 0.0017211800000000, 0.0028653600000000 ] - [ 0.0004461700000000, 0.0002797800000000, 0.0001891500000000 ] - [ 0.0003172400000000, 0.0001872500000000, -0.0002448000000000 ] - [ -0.0001690500000000, 0.0001371900000000, -0.0002480600000000 ] - [ -0.0000497100000000, -0.0004227600000000, 0.0000030300000000 ] - [ 0.0000587700000000, 0.0002646800000000, -0.0001831600000000 ] - [ 0.0000769000000000, -0.0002629200000000, -0.0003401600000000 ] - [ -0.0000348300000000, -0.0000102600000000, -0.0000649500000000 ] - [ 0.0000101300000000, 0.0000076400000000, -0.0001435600000000 ] - [ 0.0000154500000000, 0.0000228600000000, -0.0001162500000000 ] - [ 0.0000291700000000, 0.0000400200000000, -0.0001394500000000 ] - [ -0.0000194400000000, -0.0000157100000000, -0.0001469800000000 ] - [ -0.0000111600000000, -0.0000008200000000, -0.0001579800000000 ] - [ -0.0000039700000000, 0.0000201400000000, -0.0001880300000000 ] - [ -0.0000127900000000, 0.0000428200000000, -0.0001582600000000 ] - [ 0.0000143200000000, -0.0000057100000000, -0.0001622000000000 ] - [ 0.0000214500000000, -0.0000555000000000, -0.0001857300000000 ] - [ 0.0000017700000000, -0.0000117200000000, -0.0001030100000000 ] - [ 0.0000025800000000, -0.0000115800000000, -0.0002694500000000 ] - [ 0.0000851200000000, -0.0000822300000000, -0.0003139900000000 ] - [ -0.0000215500000000, 0.0000074200000000, -0.0002563500000000 ] - [ -0.0003200000000000, 0.0004275000000000, 0.0003912800000000 ] - [ 0.0002644700000000, -0.0001857600000000, 0.0005739900000000 ] - [ -0.0002277200000000, -0.0000075500000000, 0.0003783500000000 ] - [ 0.0011870400000000, -0.0005715500000000, 0.0001162900000000 ] - [ -0.0025536500000000, 0.0014995900000000, 0.0028426600000000 ] - [ -0.0001156300000000, -0.0000262300000000, -0.0002506100000000 ] - [ -0.0002781200000000, 0.0007907300000000, -0.0044872200000000 ] - [ -0.0133805900000000, -0.0408889700000000, -0.0022464400000000 ] - [ 0.0005672000000000, 0.0022706400000000, 0.0002986000000000 ] - [ 0.0001011900000000, 0.0003936300000000, -0.0002932300000000 ] - [ 0.0006954900000000, 0.0017733300000000, 0.0002276900000000 ] - [ -0.0005665500000000, 0.0010429100000000, -0.0006288700000000 ] - [ -0.0020136200000000, 0.0019014300000000, 0.0016225000000000 ] - [ 0.0091481100000000, 0.0133334800000000, -0.0008254100000000 ] - [ -0.0011321100000000, -0.0003149200000000, -0.0003408800000000 ] - [ -0.0001274200000000, 0.0004051200000000, 0.0000565000000000 ] - [ -0.0002553800000000, -0.0002222200000000, -0.0003321200000000 ] - [ 0.0021415600000000, -0.0014513400000000, -0.0002572100000000 ] - [ -0.0002972900000000, 0.0005741100000000, -0.0017441600000000 ] - [ -0.0000120400000000, -0.0000866600000000, 0.0000525500000000 ] - [ -0.0001268800000000, -0.0000240700000000, -0.0001225100000000 ] - [ 0.0001623600000000, -0.0000433300000000, 0.0001088700000000 ] - [ -0.0005098500000000, 0.0008112200000000, 0.0018802800000000 ] - [ -0.0000268200000000, 0.0003167200000000, -0.0003079100000000 ] - [ -0.0000116200000000, -0.0000642100000000, 0.0001991000000000 ] - [ 0.0000343100000000, 0.0000529400000000, 0.0001246700000000 ] - [ -0.0000034500000000, 0.0000468600000000, 0.0001208500000000 ] - [ 0.0000434000000000, 0.0000065100000000, 0.0000956200000000 ] - [ -0.0000446000000000, -0.0000053000000000, 0.0000958800000000 ] - [ 0.0000019400000000, 0.0000253700000000, 0.0001073500000000 ] - [ 0.0000096200000000, -0.0000059500000000, 0.0000057200000000 ] - [ -0.0000007200000000, 0.0000279900000000, 0.0001067300000000 ] - [ 0.0000004800000000, 0.0000179900000000, 0.0001359500000000 ] - [ -0.0000228600000000, 0.0000130100000000, 0.0000203400000000 ] - [ 0.0000141400000000, 0.0000067900000000, 0.0001509600000000 ] - [ -0.0000004900000000, -0.0000380500000000, 0.0001164800000000 ] - [ -0.0000030300000000, -0.0000167200000000, 0.0001541500000000 ] - [ 0.0000010400000000, -0.0000268700000000, 0.0001141300000000 ] - [ 0.0000199000000000, -0.0000125700000000, 0.0001085400000000 ] - [ -0.0000310600000000, -0.0000344200000000, 0.0000386200000000 ] - [ -0.0000044200000000, 0.0000303900000000, 0.0000216000000000 ] - [ -0.0000258100000000, 0.0000211400000000, 0.0001169600000000 ] - [ 0.0000051100000000, -0.0000271100000000, 0.0000027200000000 ] - [ -0.0000116700000000, 0.0001812400000000, -0.0000136000000000 ] - [ -0.0001272700000000, 0.0000558300000000, 0.0000321600000000 ] - [ -0.0000236800000000, -0.0000185900000000, 0.0001142500000000 ] - [ 0.0000413000000000, 0.0000334800000000, 0.0001775800000000 ] - [ 0.0000878700000000, -0.0001209800000000, 0.0001212600000000 ]- atom: 40 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000029500000000, 0.0000711800000000, 0.0000715500000000 ] - [ -0.0000636600000000, -0.0004661300000000, 0.0005406900000000 ] - [ -0.0002732300000000, -0.0000373700000000, -0.0001036100000000 ] - [ -0.0011026500000000, -0.0052950500000000, -0.0032280200000000 ] - [ -0.0017095800000000, -0.0014297300000000, 0.0008705200000000 ] - [ 0.0002147800000000, 0.0008527700000000, -0.0000660900000000 ] - [ 0.0013732900000000, 0.0006084200000000, 0.0008184600000000 ] - [ 0.0034275700000000, -0.0077551600000000, 0.0015194400000000 ] - [ -0.0005633200000000, 0.0004039500000000, -0.0003497700000000 ] - [ 0.0001326100000000, 0.0006044800000000, -0.0021740000000000 ] - [ -0.0074866000000000, -0.0032332500000000, 0.0007059200000000 ] - [ -0.0012489500000000, -0.0017122700000000, -0.0028841100000000 ] - [ -0.0004500100000000, -0.0002799700000000, -0.0001322100000000 ] - [ -0.0002768500000000, -0.0001758300000000, 0.0002827400000000 ] - [ 0.0001838500000000, -0.0001794500000000, 0.0002096300000000 ] - [ 0.0000101200000000, 0.0004127000000000, 0.0000364500000000 ] - [ -0.0000743700000000, -0.0002245700000000, 0.0001459400000000 ] - [ -0.0000766200000000, 0.0002630200000000, 0.0002833700000000 ] - [ 0.0000350800000000, -0.0000464900000000, 0.0000632600000000 ] - [ -0.0000101500000000, -0.0000074300000000, 0.0001986300000000 ] - [ -0.0000010100000000, 0.0000177500000000, 0.0001536700000000 ] - [ -0.0000290600000000, 0.0000175800000000, 0.0001379500000000 ] - [ 0.0000052400000000, -0.0000248900000000, 0.0001843600000000 ] - [ -0.0000290300000000, 0.0000152600000000, 0.0001189600000000 ] - [ 0.0000039400000000, -0.0000199500000000, 0.0001311300000000 ] - [ -0.0000446300000000, -0.0000425000000000, 0.0001571500000000 ] - [ 0.0000260300000000, -0.0000084500000000, 0.0001234200000000 ] - [ 0.0000359200000000, 0.0000555500000000, 0.0001851700000000 ] - [ -0.0000015600000000, 0.0000121100000000, 0.0001579000000000 ] - [ 0.0000376400000000, 0.0000259100000000, 0.0003074300000000 ] - [ -0.0000708200000000, 0.0000419900000000, 0.0002756900000000 ] - [ -0.0000192300000000, -0.0000223800000000, 0.0002932200000000 ] - [ 0.0003344100000000, -0.0003966900000000, -0.0002959300000000 ] - [ -0.0003058000000000, 0.0002060300000000, -0.0005502400000000 ] - [ 0.0002712600000000, -0.0000127700000000, -0.0003598900000000 ] - [ -0.0011553800000000, 0.0005870000000000, -0.0001507700000000 ] - [ 0.0025041900000000, -0.0015258500000000, -0.0028532100000000 ] - [ 0.0001021800000000, -0.0000015100000000, 0.0003505100000000 ] - [ 0.0002923300000000, -0.0008123500000000, 0.0044050300000000 ] - [ 0.0135644000000000, 0.0401065400000000, 0.0021603200000000 ] - [ -0.0005828100000000, -0.0022762800000000, -0.0002793700000000 ] - [ -0.0001159500000000, -0.0003660900000000, 0.0001938300000000 ] - [ -0.0006669300000000, -0.0017637900000000, -0.0001452100000000 ] - [ 0.0005835700000000, -0.0010515900000000, 0.0006407900000000 ] - [ 0.0019929900000000, -0.0019137300000000, -0.0015399100000000 ] - [ -0.0090189800000000, -0.0131071700000000, 0.0007973500000000 ] - [ 0.0011411800000000, 0.0002598300000000, 0.0003583000000000 ] - [ 0.0001493100000000, -0.0003628000000000, -0.0000774200000000 ] - [ 0.0002153500000000, 0.0002363900000000, 0.0002448500000000 ] - [ -0.0021379400000000, 0.0015115500000000, 0.0002942200000000 ] - [ 0.0003355400000000, -0.0005983900000000, 0.0016480300000000 ] - [ 0.0000133100000000, 0.0000957500000000, -0.0000621100000000 ] - [ 0.0001259500000000, 0.0000159400000000, 0.0001124500000000 ] - [ -0.0001824400000000, 0.0000021100000000, -0.0001290900000000 ] - [ 0.0005193300000000, -0.0008152300000000, -0.0018665500000000 ] - [ 0.0000163900000000, -0.0003140900000000, 0.0003220700000000 ] - [ 0.0000242200000000, 0.0000949900000000, -0.0001019100000000 ] - [ -0.0000784200000000, -0.0000316600000000, -0.0001047200000000 ] - [ 0.0000473000000000, -0.0000676600000000, -0.0001003100000000 ] - [ 0.0000004400000000, 0.0000145400000000, -0.0001154000000000 ] - [ 0.0000010700000000, -0.0000152000000000, -0.0001156500000000 ] - [ -0.0000147000000000, -0.0000564800000000, -0.0000110900000000 ] - [ 0.0000034700000000, -0.0000251800000000, -0.0001006200000000 ] - [ 0.0000096100000000, -0.0000257300000000, -0.0001185700000000 ] - [ -0.0000023700000000, -0.0000087300000000, -0.0001217800000000 ] - [ 0.0000092800000000, 0.0000187700000000, -0.0001155800000000 ] - [ 0.0000168400000000, 0.0000064900000000, -0.0000546600000000 ] - [ 0.0000025300000000, 0.0000291300000000, -0.0001028400000000 ] - [ -0.0000277200000000, 0.0000039500000000, -0.0000579800000000 ] - [ -0.0000100600000000, 0.0000252500000000, -0.0001260600000000 ] - [ 0.0000012800000000, -0.0000306000000000, -0.0000876200000000 ] - [ 0.0000522200000000, 0.0000784700000000, -0.0000578800000000 ] - [ -0.0000264700000000, -0.0000172200000000, -0.0001168100000000 ] - [ 0.0000049900000000, 0.0000227700000000, -0.0000962200000000 ] - [ 0.0000260600000000, 0.0000138400000000, -0.0000978300000000 ] - [ 0.0000136200000000, -0.0001717600000000, 0.0000007000000000 ] - [ 0.0001256500000000, -0.0000660300000000, -0.0000437400000000 ] - [ 0.0000030300000000, -0.0000250600000000, -0.0001344500000000 ] - [ -0.0000321800000000, -0.0000352200000000, -0.0001647400000000 ] - [ -0.0000969100000000, 0.0001237500000000, -0.0001070700000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000393600000000, 0.0000735000000000, -0.0007268800000000 ] - [ 0.0001721600000000, 0.0003519700000000, -0.0011299800000000 ] - [ -0.0014256600000000, -0.0000278400000000, 0.0009190800000000 ] - [ 0.0005693500000000, 0.0026042000000000, 0.0056756600000000 ] - [ -0.0047985900000000, -0.0002440200000000, 0.0083116100000000 ] - [ 0.0005371000000000, 0.0005023600000000, 0.0006022900000000 ] - [ 0.0006956900000000, -0.0008719000000000, 0.0025847100000000 ] - [ 0.0014581200000000, -0.0018575100000000, 0.0084944400000000 ] - [ 0.0002755500000000, -0.0014973700000000, 0.0026399200000000 ] - [ 0.0003771600000000, -0.0003659400000000, 0.0021995000000000 ] - [ -0.0074498900000000, -0.0021332300000000, 0.0067828600000000 ] - [ 0.0037345800000000, 0.0029240900000000, 0.0159678800000000 ] - [ -0.0001275900000000, 0.0005192500000000, 0.0000967700000000 ] - [ 0.0008896000000000, 0.0001120100000000, -0.0006480800000000 ] - [ -0.0004370900000000, 0.0000342100000000, -0.0010353400000000 ] - [ -0.0002704200000000, 0.0001562000000000, -0.0008704300000000 ] - [ 0.0002965000000000, -0.0001870800000000, -0.0012551600000000 ] - [ 0.0002113200000000, -0.0005360400000000, -0.0016384300000000 ] - [ 0.0000813000000000, 0.0000455700000000, -0.0011122700000000 ] - [ -0.0000049000000000, 0.0000065900000000, -0.0011801200000000 ] - [ 0.0000409900000000, 0.0000210400000000, -0.0009753400000000 ] - [ -0.0000099500000000, 0.0000368300000000, -0.0011046000000000 ] - [ -0.0000584200000000, -0.0000486100000000, -0.0010829000000000 ] - [ -0.0000303900000000, -0.0000289600000000, -0.0010615400000000 ] - [ 0.0000031300000000, -0.0000250300000000, -0.0012502800000000 ] - [ -0.0000437800000000, 0.0001346900000000, -0.0011825600000000 ] - [ 0.0000271300000000, 0.0000393000000000, -0.0010609100000000 ] - [ 0.0000364800000000, -0.0000964800000000, -0.0010958200000000 ] - [ -0.0000174900000000, 0.0000208000000000, -0.0012057000000000 ] - [ 0.0000324700000000, 0.0000800600000000, -0.0010729500000000 ] - [ -0.0000389600000000, 0.0001305900000000, -0.0007484600000000 ] - [ -0.0000431300000000, -0.0001984500000000, -0.0010740500000000 ] - [ -0.0006358400000000, 0.0004744600000000, 0.0002360200000000 ] - [ 0.0005601500000000, -0.0002208000000000, 0.0009472400000000 ] - [ -0.0005778900000000, 0.0002057300000000, 0.0008613000000000 ] - [ 0.0014334100000000, 0.0005375500000000, -0.0002693300000000 ] - [ -0.0038757600000000, 0.0040615100000000, 0.0020766600000000 ] - [ 0.0003849100000000, -0.0001517600000000, 0.0003285000000000 ] - [ -0.0000800400000000, -0.0054944100000000, 0.0104463200000000 ] - [ 0.0051946100000000, -0.0021319400000000, -0.0630843900000000 ] - [ -0.0006301900000000, -0.0019668100000000, -0.0023120200000000 ] - [ 0.0006667700000000, 0.0013564800000000, -0.0002341400000000 ] - [ 0.0008916100000000, 0.0020110800000000, 0.0001288900000000 ] - [ -0.0002951700000000, 0.0000590500000000, -0.0023117400000000 ] - [ -0.0027989200000000, 0.0023540400000000, 0.0010268900000000 ] - [ -0.0000225500000000, 0.0007567000000000, -0.0042857900000000 ] - [ -0.0003103700000000, -0.0002807600000000, -0.0018173200000000 ] - [ -0.0000304400000000, 0.0003058400000000, 0.0000253800000000 ] - [ -0.0021572400000000, -0.0014075900000000, 0.0005655700000000 ] - [ 0.0068854300000000, 0.0011870500000000, 0.0007343900000000 ] - [ 0.0011059700000000, -0.0029184700000000, 0.0006929400000000 ] - [ -0.0000058800000000, -0.0001983000000000, 0.0007956000000000 ] - [ -0.0000394100000000, 0.0000734600000000, 0.0008154000000000 ] - [ 0.0009677000000000, 0.0000520700000000, 0.0002037000000000 ] - [ -0.0009423900000000, 0.0018604300000000, 0.0050688800000000 ] - [ -0.0003494300000000, 0.0003140600000000, 0.0001350900000000 ] - [ -0.0001088900000000, -0.0001838700000000, 0.0007604300000000 ] - [ 0.0001590900000000, 0.0001997300000000, 0.0007681200000000 ] - [ -0.0001131600000000, -0.0000574300000000, 0.0006773900000000 ] - [ 0.0000843000000000, -0.0000614300000000, 0.0007542500000000 ] - [ -0.0001050800000000, 0.0000634900000000, 0.0007482300000000 ] - [ 0.0000667000000000, 0.0001067000000000, 0.0005440200000000 ] - [ 0.0001939300000000, -0.0000813800000000, 0.0004785200000000 ] - [ -0.0001256500000000, 0.0001133600000000, 0.0008568800000000 ] - [ 0.0001086100000000, 0.0001009700000000, 0.0008789100000000 ] - [ -0.0001585000000000, 0.0001102000000000, 0.0005132500000000 ] - [ -0.0000590300000000, -0.0001047000000000, 0.0006367200000000 ] - [ -0.0001275000000000, -0.0001506000000000, 0.0008786800000000 ] - [ 0.0000565600000000, 0.0001139000000000, 0.0006417500000000 ] - [ 0.0001337000000000, -0.0001207700000000, 0.0008856100000000 ] - [ 0.0001024800000000, 0.0000019300000000, 0.0008103100000000 ] - [ -0.0000269900000000, 0.0000556500000000, 0.0008232700000000 ] - [ -0.0001203500000000, 0.0001335000000000, 0.0005624900000000 ] - [ -0.0001036000000000, -0.0000140300000000, 0.0007473700000000 ] - [ 0.0001022700000000, -0.0001499500000000, 0.0005543800000000 ] - [ 0.0000579100000000, -0.0005438000000000, 0.0007945200000000 ] - [ 0.0001177300000000, -0.0000525700000000, 0.0008144400000000 ] - [ 0.0000961700000000, -0.0000488900000000, 0.0007037400000000 ] - [ 0.0000606300000000, 0.0001695300000000, 0.0007011200000000 ] - [ -0.0002733800000000, -0.0001129800000000, 0.0009286200000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000257600000000, -0.0000333700000000, 0.0006893400000000 ] - [ -0.0001733300000000, -0.0003486800000000, 0.0010868800000000 ] - [ 0.0014257500000000, -0.0000362400000000, -0.0008980500000000 ] - [ -0.0004689400000000, -0.0022925000000000, -0.0051141300000000 ] - [ 0.0045821000000000, 0.0002285200000000, -0.0081395700000000 ] - [ -0.0005319700000000, -0.0004451100000000, -0.0005847000000000 ] - [ -0.0006971200000000, 0.0008311700000000, -0.0025337400000000 ] - [ -0.0015060000000000, 0.0019006900000000, -0.0085734600000000 ] - [ -0.0002753800000000, 0.0014993600000000, -0.0027163100000000 ] - [ -0.0004370600000000, 0.0003637000000000, -0.0022435200000000 ] - [ 0.0075273600000000, 0.0021150100000000, -0.0067975100000000 ] - [ -0.0038271100000000, -0.0031756100000000, -0.0170251800000000 ] - [ 0.0001319200000000, -0.0005227800000000, -0.0000555200000000 ] - [ -0.0008557000000000, -0.0000949400000000, 0.0006792600000000 ] - [ 0.0004563600000000, -0.0000769700000000, 0.0010025000000000 ] - [ 0.0002311300000000, -0.0001688600000000, 0.0009073000000000 ] - [ -0.0003092300000000, 0.0002281300000000, 0.0012366200000000 ] - [ -0.0002141600000000, 0.0005414800000000, 0.0015900500000000 ] - [ -0.0000809800000000, -0.0001034900000000, 0.0011159600000000 ] - [ 0.0000050500000000, -0.0000067200000000, 0.0012409300000000 ] - [ -0.0000265200000000, 0.0000193500000000, 0.0010173500000000 ] - [ 0.0000091100000000, 0.0000199100000000, 0.0011079300000000 ] - [ 0.0000444300000000, 0.0000078000000000, 0.0011259200000000 ] - [ -0.0000100300000000, 0.0000432600000000, 0.0010277800000000 ] - [ -0.0000028900000000, 0.0000253600000000, 0.0011994800000000 ] - [ -0.0000136200000000, -0.0001357800000000, 0.0011877700000000 ] - [ 0.0000135700000000, -0.0000537800000000, 0.0010270600000000 ] - [ 0.0000206100000000, 0.0000972800000000, 0.0011010000000000 ] - [ 0.0000175700000000, -0.0000211100000000, 0.0012661700000000 ] - [ 0.0000082300000000, -0.0000652800000000, 0.0011156800000000 ] - [ 0.0000526200000000, -0.0001687300000000, 0.0007164300000000 ] - [ 0.0000029600000000, 0.0001819100000000, 0.0011162000000000 ] - [ 0.0006505700000000, -0.0004428700000000, -0.0001431200000000 ] - [ -0.0006029300000000, 0.0002359600000000, -0.0009264300000000 ] - [ 0.0006195400000000, -0.0002252400000000, -0.0008466800000000 ] - [ -0.0013850900000000, -0.0005207100000000, 0.0002382700000000 ] - [ 0.0037992800000000, -0.0040622900000000, -0.0020922200000000 ] - [ -0.0004021000000000, 0.0001211700000000, -0.0002408300000000 ] - [ 0.0000986100000000, 0.0053672400000000, -0.0103656700000000 ] - [ -0.0048656900000000, 0.0022821400000000, 0.0633427600000000 ] - [ 0.0006391100000000, 0.0019893400000000, 0.0023220000000000 ] - [ -0.0006734700000000, -0.0013057900000000, 0.0001367100000000 ] - [ -0.0008677900000000, -0.0020243800000000, -0.0000240200000000 ] - [ 0.0002828200000000, -0.0000672200000000, 0.0023223600000000 ] - [ 0.0027860700000000, -0.0023832600000000, -0.0009179100000000 ] - [ -0.0000417800000000, -0.0008664900000000, 0.0042974400000000 ] - [ 0.0003374000000000, 0.0002361300000000, 0.0018509700000000 ] - [ 0.0000486600000000, -0.0002630300000000, -0.0000409900000000 ] - [ 0.0021610400000000, 0.0014391500000000, -0.0006743700000000 ] - [ -0.0069469500000000, -0.0011408000000000, -0.0006882300000000 ] - [ -0.0010887000000000, 0.0029485400000000, -0.0007959700000000 ] - [ 0.0000083900000000, 0.0002076600000000, -0.0008094400000000 ] - [ 0.0000364400000000, -0.0000822100000000, -0.0008291000000000 ] - [ -0.0010070700000000, -0.0000986300000000, -0.0002257900000000 ] - [ 0.0009618200000000, -0.0018866800000000, -0.0051135600000000 ] - [ 0.0003438300000000, -0.0003157600000000, -0.0001162700000000 ] - [ 0.0001227300000000, 0.0002166300000000, -0.0006679200000000 ] - [ -0.0002045300000000, -0.0001807200000000, -0.0007519400000000 ] - [ 0.0001575500000000, 0.0000371900000000, -0.0006590500000000 ] - [ -0.0000406500000000, 0.0000821700000000, -0.0007766800000000 ] - [ 0.0000620800000000, -0.0000843300000000, -0.0007707000000000 ] - [ -0.0000797000000000, -0.0001390700000000, -0.0004495600000000 ] - [ -0.0001818600000000, 0.0000502800000000, -0.0005759500000000 ] - [ 0.0001349700000000, -0.0001118000000000, -0.0008730800000000 ] - [ -0.0001109100000000, -0.0000925300000000, -0.0008694900000000 ] - [ 0.0001457500000000, -0.0000796000000000, -0.0006113500000000 ] - [ 0.0000903000000000, 0.0001181700000000, -0.0005432200000000 ] - [ 0.0001303500000000, 0.0001424500000000, -0.0008696800000000 ] - [ -0.0000876900000000, -0.0001281700000000, -0.0005484500000000 ] - [ -0.0001427900000000, 0.0001192900000000, -0.0009022200000000 ] - [ -0.0000817300000000, -0.0000460500000000, -0.0007943800000000 ] - [ 0.0000467900000000, -0.0000134000000000, -0.0008488200000000 ] - [ 0.0000893800000000, -0.0001211000000000, -0.0006603800000000 ] - [ 0.0000836000000000, 0.0000581300000000, -0.0007312200000000 ] - [ -0.0000710100000000, 0.0001369800000000, -0.0006526000000000 ] - [ -0.0000566800000000, 0.0005503700000000, -0.0008105700000000 ] - [ -0.0001173900000000, 0.0000427300000000, -0.0008300800000000 ] - [ -0.0001168000000000, 0.0000049200000000, -0.0007259300000000 ] - [ -0.0000526200000000, -0.0001729800000000, -0.0006931100000000 ] - [ 0.0002643400000000, 0.0001154800000000, -0.0009194800000000 ]