# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9c04977f-c4e9-460d-9ebe-c4530deb64b1/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 NaZnAsO4 / P2_1/c (14) / materials id 14901](https://mdr.nims.go.jp/datasets/ccf613dc-a07f-458b-8ea8-936bab0f5311) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.949634560000000, 0.000000000000000, -0.002928980000000 ] # a - [ 0.000000000000000, 8.233441270000000, 0.000000000000000 ] # b - [ -8.897871830000000, 0.000000000000000, 15.691342020000000 ] # c points: - symbol: O # 1 coordinates: [ 0.473449480000000, 0.755699860000000, 0.702865490000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.526550520000000, 0.255699860000000, 0.797134510000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.526550520000000, 0.244300140000000, 0.297134510000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.473449480000000, 0.744300140000000, 0.202865490000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.784061420000000, 0.753071660000000, 0.705892650000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.215938580000000, 0.253071660000000, 0.794107350000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.215938580000000, 0.246928340000000, 0.294107350000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.784061420000000, 0.746928340000000, 0.205892650000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.434737020000000, 0.765787860000000, 0.516423390000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.565262980000000, 0.265787860000000, 0.983576610000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.565262980000000, 0.234212140000000, 0.483576610000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.434737020000000, 0.734212140000000, 0.016423390000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.130031940000000, 0.774576220000000, 0.865428030000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.869968060000000, 0.274576220000000, 0.634571970000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.869968060000000, 0.225423780000000, 0.134571970000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.130031940000000, 0.725423780000000, 0.365428030000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.580912950000000, 0.448049100000000, 0.607637080000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.419087050000000, 0.948049100000000, 0.892362920000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.419087050000000, 0.551950900000000, 0.392362920000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.580912950000000, 0.051950900000000, 0.107637080000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.867356390000000, 0.544044720000000, 0.047660630000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.596408440000000, 0.124320130000000, 0.639015120000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.403591560000000, 0.875679870000000, 0.360984880000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.596408440000000, 0.375679870000000, 0.139015120000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.817738490000000, 0.630504310000000, 0.550447380000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.182261510000000, 0.130504310000000, 0.949552620000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.182261510000000, 0.369495690000000, 0.449552620000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.817738490000000, 0.869495690000000, 0.050447380000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.901498240000000, 0.279232660000000, 0.811811300000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.098501760000000, 0.779232660000000, 0.688188700000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.098501760000000, 0.720767340000000, 0.188188700000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.901498240000000, 0.220767340000000, 0.311811300000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.095758330000000, 0.759701390000000, 0.034834310000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.904241670000000, 0.259701390000000, 0.465165690000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.904241670000000, 0.240298610000000, 0.965165690000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.095758330000000, 0.740298610000000, 0.534834310000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.771077030000000, 0.864451000000000, 0.347820910000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.228922970000000, 0.364451000000000, 0.152179090000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.228922970000000, 0.135549000000000, 0.652179090000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.771077030000000, 0.635549000000000, 0.847820910000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.745724280000000, 0.541985150000000, 0.315785420000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.254275720000000, 0.041985150000000, 0.184214580000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.254275720000000, 0.458014850000000, 0.684214580000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.745724280000000, 0.958014850000000, 0.815785420000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.867356390000000, 0.955955280000000, 0.547660630000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.132643610000000, 0.455955280000000, 0.952339370000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.132643610000000, 0.044044720000000, 0.452339370000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.403591560000000, 0.624320130000000, 0.860984880000000 ] mass: 15.999400 - symbol: Na # 49 coordinates: [ 0.699653830000000, 0.032860230000000, 0.928766640000000 ] mass: 22.989769 - symbol: Na # 50 coordinates: [ 0.300346170000000, 0.532860230000000, 0.571233360000000 ] mass: 22.989769 - symbol: Na # 51 coordinates: [ 0.300346170000000, 0.967139770000000, 0.071233360000000 ] mass: 22.989769 - symbol: Na # 52 coordinates: [ 0.699653830000000, 0.467139770000000, 0.428766640000000 ] mass: 22.989769 - symbol: Na # 53 coordinates: [ 0.649393930000000, 0.460907840000000, 0.911611920000000 ] mass: 22.989769 - symbol: Na # 54 coordinates: [ 0.350606070000000, 0.960907840000000, 0.588388080000000 ] mass: 22.989769 - symbol: Na # 55 coordinates: [ 0.350606070000000, 0.539092160000000, 0.088388080000000 ] mass: 22.989769 - symbol: Na # 56 coordinates: [ 0.649393930000000, 0.039092160000000, 0.411611920000000 ] mass: 22.989769 - symbol: Na # 57 coordinates: [ 0.002100990000000, 0.472884440000000, 0.745181300000000 ] mass: 22.989769 - symbol: Na # 58 coordinates: [ 0.997899010000000, 0.972884440000000, 0.754818700000000 ] mass: 22.989769 - symbol: Na # 59 coordinates: [ 0.997899010000000, 0.527115560000000, 0.254818700000000 ] mass: 22.989769 - symbol: Na # 60 coordinates: [ 0.002100990000000, 0.027115560000000, 0.245181300000000 ] mass: 22.989769 - symbol: Zn # 61 coordinates: [ 0.655569670000000, 0.663415750000000, 0.591446900000000 ] mass: 65.380000 - symbol: Zn # 62 coordinates: [ 0.344430330000000, 0.163415750000000, 0.908553100000000 ] mass: 65.380000 - symbol: Zn # 63 coordinates: [ 0.344430330000000, 0.336584250000000, 0.408553100000000 ] mass: 65.380000 - symbol: Zn # 64 coordinates: [ 0.655569670000000, 0.836584250000000, 0.091446900000000 ] mass: 65.380000 - symbol: Zn # 65 coordinates: [ 0.017615490000000, 0.667597250000000, 0.921304160000000 ] mass: 65.380000 - symbol: Zn # 66 coordinates: [ 0.982384510000000, 0.167597250000000, 0.578695840000000 ] mass: 65.380000 - symbol: Zn # 67 coordinates: [ 0.982384510000000, 0.332402750000000, 0.078695840000000 ] mass: 65.380000 - symbol: Zn # 68 coordinates: [ 0.017615490000000, 0.832402750000000, 0.421304160000000 ] mass: 65.380000 - symbol: Zn # 69 coordinates: [ 0.678760970000000, 0.170872120000000, 0.758590150000000 ] mass: 65.380000 - symbol: Zn # 70 coordinates: [ 0.321239030000000, 0.670872120000000, 0.741409850000000 ] mass: 65.380000 - symbol: Zn # 71 coordinates: [ 0.321239030000000, 0.829127880000000, 0.241409850000000 ] mass: 65.380000 - symbol: Zn # 72 coordinates: [ 0.678760970000000, 0.329127880000000, 0.258590150000000 ] mass: 65.380000 - symbol: As # 73 coordinates: [ 0.652564190000000, 0.269302840000000, 0.590060980000000 ] mass: 74.921600 - symbol: As # 74 coordinates: [ 0.347435810000000, 0.769302840000000, 0.909939020000000 ] mass: 74.921600 - symbol: As # 75 coordinates: [ 0.347435810000000, 0.730697160000000, 0.409939020000000 ] mass: 74.921600 - symbol: As # 76 coordinates: [ 0.652564190000000, 0.230697160000000, 0.090060980000000 ] mass: 74.921600 - symbol: As # 77 coordinates: [ 0.971467050000000, 0.723863630000000, 0.080421560000000 ] mass: 74.921600 - symbol: As # 78 coordinates: [ 0.028532950000000, 0.223863630000000, 0.419578440000000 ] mass: 74.921600 - symbol: As # 79 coordinates: [ 0.028532950000000, 0.276136370000000, 0.919578440000000 ] mass: 74.921600 - symbol: As # 80 coordinates: [ 0.971467050000000, 0.776136370000000, 0.580421560000000 ] mass: 74.921600 - symbol: As # 81 coordinates: [ 0.689572790000000, 0.773977410000000, 0.767283700000000 ] mass: 74.921600 - symbol: As # 82 coordinates: [ 0.310427210000000, 0.273977410000000, 0.732716300000000 ] mass: 74.921600 - symbol: As # 83 coordinates: [ 0.310427210000000, 0.226022590000000, 0.232716300000000 ] mass: 74.921600 - symbol: As # 84 coordinates: [ 0.689572790000000, 0.726022590000000, 0.267283700000000 ] mass: 74.921600 reciprocal_lattice: # without 2pi - [ 0.111757146093701, 0.000000000000000, 0.063372575829453 ] # a* - [ 0.000000000000000, 0.121455897626145, 0.000000000000000 ] # b* - [ 0.000020860831747, 0.000000000000000, 0.063741241235602 ] # c*unit_cell: lattice: - [ 8.949634560000000, 0.000000000000000, -0.002928980000000 ] # a - [ 0.000000000000000, 8.233441270000000, 0.000000000000000 ] # b - [ -8.897871830000000, 0.000000000000000, 15.691342020000000 ] # c points: - symbol: O # 1 coordinates: [ 0.473449480000000, 0.755699860000000, 0.702865490000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.526550520000000, 0.255699860000000, 0.797134510000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.526550520000000, 0.244300140000000, 0.297134510000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.473449480000000, 0.744300140000000, 0.202865490000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.784061420000000, 0.753071660000000, 0.705892650000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.215938580000000, 0.253071660000000, 0.794107350000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.215938580000000, 0.246928340000000, 0.294107350000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.784061420000000, 0.746928340000000, 0.205892650000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.434737020000000, 0.765787860000000, 0.516423390000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.565262980000000, 0.265787860000000, 0.983576610000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.565262980000000, 0.234212140000000, 0.483576610000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.434737020000000, 0.734212140000000, 0.016423390000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.130031940000000, 0.774576220000000, 0.865428030000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.869968060000000, 0.274576220000000, 0.634571970000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.869968060000000, 0.225423780000000, 0.134571970000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.130031940000000, 0.725423780000000, 0.365428030000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.580912950000000, 0.448049100000000, 0.607637080000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.419087050000000, 0.948049100000000, 0.892362920000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.419087050000000, 0.551950900000000, 0.392362920000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.580912950000000, 0.051950900000000, 0.107637080000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.867356390000000, 0.544044720000000, 0.047660630000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.596408440000000, 0.124320130000000, 0.639015120000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.403591560000000, 0.875679870000000, 0.360984880000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.596408440000000, 0.375679870000000, 0.139015120000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.817738490000000, 0.630504310000000, 0.550447380000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.182261510000000, 0.130504310000000, 0.949552620000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.182261510000000, 0.369495690000000, 0.449552620000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.817738490000000, 0.869495690000000, 0.050447380000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.901498240000000, 0.279232660000000, 0.811811300000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.098501760000000, 0.779232660000000, 0.688188700000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.098501760000000, 0.720767340000000, 0.188188700000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.901498240000000, 0.220767340000000, 0.311811300000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.095758330000000, 0.759701390000000, 0.034834310000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.904241670000000, 0.259701390000000, 0.465165690000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.904241670000000, 0.240298610000000, 0.965165690000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.095758330000000, 0.740298610000000, 0.534834310000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.771077030000000, 0.864451000000000, 0.347820910000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.228922970000000, 0.364451000000000, 0.152179090000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.228922970000000, 0.135549000000000, 0.652179090000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.771077030000000, 0.635549000000000, 0.847820910000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.745724280000000, 0.541985150000000, 0.315785420000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.254275720000000, 0.041985150000000, 0.184214580000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.254275720000000, 0.458014850000000, 0.684214580000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.745724280000000, 0.958014850000000, 0.815785420000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.867356390000000, 0.955955280000000, 0.547660630000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.132643610000000, 0.455955280000000, 0.952339370000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.132643610000000, 0.044044720000000, 0.452339370000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.403591560000000, 0.624320130000000, 0.860984880000000 ] mass: 15.999400 reduced_to: 48 - symbol: Na # 49 coordinates: [ 0.699653830000000, 0.032860230000000, 0.928766640000000 ] mass: 22.989769 reduced_to: 49 - symbol: Na # 50 coordinates: [ 0.300346170000000, 0.532860230000000, 0.571233360000000 ] mass: 22.989769 reduced_to: 50 - symbol: Na # 51 coordinates: [ 0.300346170000000, 0.967139770000000, 0.071233360000000 ] mass: 22.989769 reduced_to: 51 - symbol: Na # 52 coordinates: [ 0.699653830000000, 0.467139770000000, 0.428766640000000 ] mass: 22.989769 reduced_to: 52 - symbol: Na # 53 coordinates: [ 0.649393930000000, 0.460907840000000, 0.911611920000000 ] mass: 22.989769 reduced_to: 53 - symbol: Na # 54 coordinates: [ 0.350606070000000, 0.960907840000000, 0.588388080000000 ] mass: 22.989769 reduced_to: 54 - symbol: Na # 55 coordinates: [ 0.350606070000000, 0.539092160000000, 0.088388080000000 ] mass: 22.989769 reduced_to: 55 - symbol: Na # 56 coordinates: [ 0.649393930000000, 0.039092160000000, 0.411611920000000 ] mass: 22.989769 reduced_to: 56 - symbol: Na # 57 coordinates: [ 0.002100990000000, 0.472884440000000, 0.745181300000000 ] mass: 22.989769 reduced_to: 57 - symbol: Na # 58 coordinates: [ 0.997899010000000, 0.972884440000000, 0.754818700000000 ] mass: 22.989769 reduced_to: 58 - symbol: Na # 59 coordinates: [ 0.997899010000000, 0.527115560000000, 0.254818700000000 ] mass: 22.989769 reduced_to: 59 - symbol: Na # 60 coordinates: [ 0.002100990000000, 0.027115560000000, 0.245181300000000 ] mass: 22.989769 reduced_to: 60 - symbol: Zn # 61 coordinates: [ 0.655569670000000, 0.663415750000000, 0.591446900000000 ] mass: 65.380000 reduced_to: 61 - symbol: Zn # 62 coordinates: [ 0.344430330000000, 0.163415750000000, 0.908553100000000 ] mass: 65.380000 reduced_to: 62 - symbol: Zn # 63 coordinates: [ 0.344430330000000, 0.336584250000000, 0.408553100000000 ] mass: 65.380000 reduced_to: 63 - symbol: Zn # 64 coordinates: [ 0.655569670000000, 0.836584250000000, 0.091446900000000 ] mass: 65.380000 reduced_to: 64 - symbol: Zn # 65 coordinates: [ 0.017615490000000, 0.667597250000000, 0.921304160000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 66 coordinates: [ 0.982384510000000, 0.167597250000000, 0.578695840000000 ] mass: 65.380000 reduced_to: 66 - symbol: Zn # 67 coordinates: [ 0.982384510000000, 0.332402750000000, 0.078695840000000 ] mass: 65.380000 reduced_to: 67 - symbol: Zn # 68 coordinates: [ 0.017615490000000, 0.832402750000000, 0.421304160000000 ] mass: 65.380000 reduced_to: 68 - symbol: Zn # 69 coordinates: [ 0.678760970000000, 0.170872120000000, 0.758590150000000 ] mass: 65.380000 reduced_to: 69 - symbol: Zn # 70 coordinates: [ 0.321239030000000, 0.670872120000000, 0.741409850000000 ] mass: 65.380000 reduced_to: 70 - symbol: Zn # 71 coordinates: [ 0.321239030000000, 0.829127880000000, 0.241409850000000 ] mass: 65.380000 reduced_to: 71 - symbol: Zn # 72 coordinates: [ 0.678760970000000, 0.329127880000000, 0.258590150000000 ] mass: 65.380000 reduced_to: 72 - symbol: As # 73 coordinates: [ 0.652564190000000, 0.269302840000000, 0.590060980000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 74 coordinates: [ 0.347435810000000, 0.769302840000000, 0.909939020000000 ] mass: 74.921600 reduced_to: 74 - symbol: As # 75 coordinates: [ 0.347435810000000, 0.730697160000000, 0.409939020000000 ] mass: 74.921600 reduced_to: 75 - symbol: As # 76 coordinates: [ 0.652564190000000, 0.230697160000000, 0.090060980000000 ] mass: 74.921600 reduced_to: 76 - symbol: As # 77 coordinates: [ 0.971467050000000, 0.723863630000000, 0.080421560000000 ] mass: 74.921600 reduced_to: 77 - symbol: As # 78 coordinates: [ 0.028532950000000, 0.223863630000000, 0.419578440000000 ] mass: 74.921600 reduced_to: 78 - symbol: As # 79 coordinates: [ 0.028532950000000, 0.276136370000000, 0.919578440000000 ] mass: 74.921600 reduced_to: 79 - symbol: As # 80 coordinates: [ 0.971467050000000, 0.776136370000000, 0.580421560000000 ] mass: 74.921600 reduced_to: 80 - symbol: As # 81 coordinates: [ 0.689572790000000, 0.773977410000000, 0.767283700000000 ] mass: 74.921600 reduced_to: 81 - symbol: As # 82 coordinates: [ 0.310427210000000, 0.273977410000000, 0.732716300000000 ] mass: 74.921600 reduced_to: 82 - symbol: As # 83 coordinates: [ 0.310427210000000, 0.226022590000000, 0.232716300000000 ] mass: 74.921600 reduced_to: 83 - symbol: As # 84 coordinates: [ 0.689572790000000, 0.726022590000000, 0.267283700000000 ] mass: 74.921600 reduced_to: 84supercell: lattice: - [ 8.949634560000000, 0.000000000000000, -0.002928980000000 ] # a - [ 0.000000000000000, 8.233441270000000, 0.000000000000000 ] # b - [ -8.897871830000000, 0.000000000000000, 15.691342020000000 ] # c points: - symbol: O # 1 coordinates: [ 0.473449480000000, 0.755699860000000, 0.702865490000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.526550520000000, 0.255699860000000, 0.797134510000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.526550520000000, 0.244300140000000, 0.297134510000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.473449480000000, 0.744300140000000, 0.202865490000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.784061420000000, 0.753071660000000, 0.705892650000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.215938580000000, 0.253071660000000, 0.794107350000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.215938580000000, 0.246928340000000, 0.294107350000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.784061420000000, 0.746928340000000, 0.205892650000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.434737020000000, 0.765787860000000, 0.516423390000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.565262980000000, 0.265787860000000, 0.983576610000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.565262980000000, 0.234212140000000, 0.483576610000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.434737020000000, 0.734212140000000, 0.016423390000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.130031940000000, 0.774576220000000, 0.865428030000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.869968060000000, 0.274576220000000, 0.634571970000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.869968060000000, 0.225423780000000, 0.134571970000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.130031940000000, 0.725423780000000, 0.365428030000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.580912950000000, 0.448049100000000, 0.607637080000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.419087050000000, 0.948049100000000, 0.892362920000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.419087050000000, 0.551950900000000, 0.392362920000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.580912950000000, 0.051950900000000, 0.107637080000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.867356390000000, 0.544044720000000, 0.047660630000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.596408440000000, 0.124320130000000, 0.639015120000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.403591560000000, 0.875679870000000, 0.360984880000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.596408440000000, 0.375679870000000, 0.139015120000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.817738490000000, 0.630504310000000, 0.550447380000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.182261510000000, 0.130504310000000, 0.949552620000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.182261510000000, 0.369495690000000, 0.449552620000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.817738490000000, 0.869495690000000, 0.050447380000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.901498240000000, 0.279232660000000, 0.811811300000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.098501760000000, 0.779232660000000, 0.688188700000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.098501760000000, 0.720767340000000, 0.188188700000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.901498240000000, 0.220767340000000, 0.311811300000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.095758330000000, 0.759701390000000, 0.034834310000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.904241670000000, 0.259701390000000, 0.465165690000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.904241670000000, 0.240298610000000, 0.965165690000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.095758330000000, 0.740298610000000, 0.534834310000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.771077030000000, 0.864451000000000, 0.347820910000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.228922970000000, 0.364451000000000, 0.152179090000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.228922970000000, 0.135549000000000, 0.652179090000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.771077030000000, 0.635549000000000, 0.847820910000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.745724280000000, 0.541985150000000, 0.315785420000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.254275720000000, 0.041985150000000, 0.184214580000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.254275720000000, 0.458014850000000, 0.684214580000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.745724280000000, 0.958014850000000, 0.815785420000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.867356390000000, 0.955955280000000, 0.547660630000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.132643610000000, 0.455955280000000, 0.952339370000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.132643610000000, 0.044044720000000, 0.452339370000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.403591560000000, 0.624320130000000, 0.860984880000000 ] mass: 15.999400 reduced_to: 48 - symbol: Na # 49 coordinates: [ 0.699653830000000, 0.032860230000000, 0.928766640000000 ] mass: 22.989769 reduced_to: 49 - symbol: Na # 50 coordinates: [ 0.300346170000000, 0.532860230000000, 0.571233360000000 ] mass: 22.989769 reduced_to: 50 - symbol: Na # 51 coordinates: [ 0.300346170000000, 0.967139770000000, 0.071233360000000 ] mass: 22.989769 reduced_to: 51 - symbol: Na # 52 coordinates: [ 0.699653830000000, 0.467139770000000, 0.428766640000000 ] mass: 22.989769 reduced_to: 52 - symbol: Na # 53 coordinates: [ 0.649393930000000, 0.460907840000000, 0.911611920000000 ] mass: 22.989769 reduced_to: 53 - symbol: Na # 54 coordinates: [ 0.350606070000000, 0.960907840000000, 0.588388080000000 ] mass: 22.989769 reduced_to: 54 - symbol: Na # 55 coordinates: [ 0.350606070000000, 0.539092160000000, 0.088388080000000 ] mass: 22.989769 reduced_to: 55 - symbol: Na # 56 coordinates: [ 0.649393930000000, 0.039092160000000, 0.411611920000000 ] mass: 22.989769 reduced_to: 56 - symbol: Na # 57 coordinates: [ 0.002100990000000, 0.472884440000000, 0.745181300000000 ] mass: 22.989769 reduced_to: 57 - symbol: Na # 58 coordinates: [ 0.997899010000000, 0.972884440000000, 0.754818700000000 ] mass: 22.989769 reduced_to: 58 - symbol: Na # 59 coordinates: [ 0.997899010000000, 0.527115560000000, 0.254818700000000 ] mass: 22.989769 reduced_to: 59 - symbol: Na # 60 coordinates: [ 0.002100990000000, 0.027115560000000, 0.245181300000000 ] mass: 22.989769 reduced_to: 60 - symbol: Zn # 61 coordinates: [ 0.655569670000000, 0.663415750000000, 0.591446900000000 ] mass: 65.380000 reduced_to: 61 - symbol: Zn # 62 coordinates: [ 0.344430330000000, 0.163415750000000, 0.908553100000000 ] mass: 65.380000 reduced_to: 62 - symbol: Zn # 63 coordinates: [ 0.344430330000000, 0.336584250000000, 0.408553100000000 ] mass: 65.380000 reduced_to: 63 - symbol: Zn # 64 coordinates: [ 0.655569670000000, 0.836584250000000, 0.091446900000000 ] mass: 65.380000 reduced_to: 64 - symbol: Zn # 65 coordinates: [ 0.017615490000000, 0.667597250000000, 0.921304160000000 ] mass: 65.380000 reduced_to: 65 - symbol: Zn # 66 coordinates: [ 0.982384510000000, 0.167597250000000, 0.578695840000000 ] mass: 65.380000 reduced_to: 66 - symbol: Zn # 67 coordinates: [ 0.982384510000000, 0.332402750000000, 0.078695840000000 ] mass: 65.380000 reduced_to: 67 - symbol: Zn # 68 coordinates: [ 0.017615490000000, 0.832402750000000, 0.421304160000000 ] mass: 65.380000 reduced_to: 68 - symbol: Zn # 69 coordinates: [ 0.678760970000000, 0.170872120000000, 0.758590150000000 ] mass: 65.380000 reduced_to: 69 - symbol: Zn # 70 coordinates: [ 0.321239030000000, 0.670872120000000, 0.741409850000000 ] mass: 65.380000 reduced_to: 70 - symbol: Zn # 71 coordinates: [ 0.321239030000000, 0.829127880000000, 0.241409850000000 ] mass: 65.380000 reduced_to: 71 - symbol: Zn # 72 coordinates: [ 0.678760970000000, 0.329127880000000, 0.258590150000000 ] mass: 65.380000 reduced_to: 72 - symbol: As # 73 coordinates: [ 0.652564190000000, 0.269302840000000, 0.590060980000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 74 coordinates: [ 0.347435810000000, 0.769302840000000, 0.909939020000000 ] mass: 74.921600 reduced_to: 74 - symbol: As # 75 coordinates: [ 0.347435810000000, 0.730697160000000, 0.409939020000000 ] mass: 74.921600 reduced_to: 75 - symbol: As # 76 coordinates: [ 0.652564190000000, 0.230697160000000, 0.090060980000000 ] mass: 74.921600 reduced_to: 76 - symbol: As # 77 coordinates: [ 0.971467050000000, 0.723863630000000, 0.080421560000000 ] mass: 74.921600 reduced_to: 77 - symbol: As # 78 coordinates: [ 0.028532950000000, 0.223863630000000, 0.419578440000000 ] mass: 74.921600 reduced_to: 78 - symbol: As # 79 coordinates: [ 0.028532950000000, 0.276136370000000, 0.919578440000000 ] mass: 74.921600 reduced_to: 79 - symbol: As # 80 coordinates: [ 0.971467050000000, 0.776136370000000, 0.580421560000000 ] mass: 74.921600 reduced_to: 80 - symbol: As # 81 coordinates: [ 0.689572790000000, 0.773977410000000, 0.767283700000000 ] mass: 74.921600 reduced_to: 81 - symbol: As # 82 coordinates: [ 0.310427210000000, 0.273977410000000, 0.732716300000000 ] mass: 74.921600 reduced_to: 82 - symbol: As # 83 coordinates: [ 0.310427210000000, 0.226022590000000, 0.232716300000000 ] mass: 74.921600 reduced_to: 83 - symbol: As # 84 coordinates: [ 0.689572790000000, 0.726022590000000, 0.267283700000000 ] mass: 74.921600 reduced_to: 84displacements:- atom: 1 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ -0.2663503500000000, -0.0487507200000000, -0.0937045600000000 ] - [ -0.0026682600000000, 0.0012398800000000, -0.0017116800000000 ] - [ 0.0009396600000000, 0.0003418500000000, 0.0001573900000000 ] - [ -0.0002707300000000, 0.0003261700000000, 0.0001881200000000 ] - [ 0.0260455500000000, -0.0004512300000000, 0.0006822200000000 ] - [ 0.0011158400000000, 0.0013364500000000, -0.0017551200000000 ] - [ -0.0003153200000000, -0.0002113700000000, 0.0006960800000000 ] - [ -0.0000341400000000, -0.0001788700000000, -0.0003838100000000 ] - [ -0.0006337100000000, -0.0001594300000000, -0.0032133400000000 ] - [ -0.0006317400000000, -0.0000589700000000, -0.0001761400000000 ] - [ 0.0002057400000000, -0.0001557300000000, -0.0003550500000000 ] - [ 0.0014867000000000, -0.0005689000000000, -0.0020148300000000 ] - [ 0.0051521000000000, -0.0002473100000000, 0.0005490700000000 ] - [ 0.0017079000000000, -0.0001924800000000, 0.0002711000000000 ] - [ -0.0008358200000000, -0.0001598100000000, 0.0004274800000000 ] - [ -0.0006515900000000, -0.0000666000000000, -0.0006267800000000 ] - [ 0.0005346400000000, -0.0024105500000000, -0.0010767100000000 ] - [ 0.0007721000000000, -0.0015631700000000, -0.0018090500000000 ] - [ -0.0004289100000000, 0.0001506900000000, -0.0005099800000000 ] - [ 0.0003846100000000, 0.0001919900000000, 0.0000649300000000 ] - [ -0.0005595300000000, -0.0006078000000000, 0.0005888000000000 ] - [ 0.0004572600000000, 0.0013241700000000, -0.0011069100000000 ] - [ -0.0001811100000000, -0.0001120100000000, -0.0004571500000000 ] - [ 0.0003488800000000, -0.0001648200000000, 0.0001616100000000 ] - [ 0.0033501800000000, 0.0008822400000000, 0.0000851400000000 ] - [ 0.0022913600000000, -0.0008043200000000, 0.0004073600000000 ] - [ 0.0002010800000000, 0.0003734000000000, 0.0005830500000000 ] - [ -0.0016090400000000, 0.0005364200000000, 0.0000479700000000 ] - [ 0.0004392400000000, 0.0000268600000000, 0.0005037800000000 ] - [ 0.0143583500000000, -0.0014677500000000, 0.0062260200000000 ] - [ 0.0003002900000000, 0.0004924400000000, 0.0006660400000000 ] - [ -0.0003646300000000, 0.0003514100000000, 0.0002937900000000 ] - [ 0.0000360200000000, 0.0001479900000000, 0.0010623800000000 ] - [ -0.0000934800000000, -0.0001115600000000, 0.0011457700000000 ] - [ -0.0001760100000000, 0.0003169300000000, 0.0012833800000000 ] - [ 0.0022559400000000, -0.0001476300000000, 0.0031841000000000 ] - [ 0.0000996500000000, 0.0007141300000000, 0.0013904500000000 ] - [ 0.0002591200000000, 0.0004912600000000, -0.0002799400000000 ] - [ 0.0004038200000000, 0.0001354100000000, -0.0002124400000000 ] - [ 0.0008864700000000, -0.0037857900000000, 0.0102479800000000 ] - [ -0.0001457300000000, 0.0001901100000000, 0.0000708600000000 ] - [ 0.0002895700000000, 0.0002357900000000, 0.0003524700000000 ] - [ 0.0043065700000000, 0.0123161400000000, -0.0004119600000000 ] - [ -0.0002566900000000, 0.0093770100000000, 0.0081071000000000 ] - [ 0.0016311200000000, -0.0005197000000000, 0.0011985300000000 ] - [ 0.0012809700000000, -0.0002203300000000, 0.0006943200000000 ] - [ -0.0001972600000000, -0.0009017100000000, 0.0005362300000000 ] - [ 0.0068945000000000, 0.0000843700000000, -0.0080993100000000 ] - [ 0.0019089300000000, -0.0003454000000000, -0.0004263000000000 ] - [ 0.0023217600000000, -0.0013125400000000, -0.0020400800000000 ] - [ -0.0004487100000000, 0.0000955000000000, -0.0001763400000000 ] - [ -0.0003784600000000, -0.0000336000000000, -0.0000932600000000 ] - [ 0.0020640000000000, 0.0004759400000000, 0.0004725100000000 ] - [ 0.0032822500000000, 0.0009842200000000, -0.0006149000000000 ] - [ -0.0005078000000000, -0.0005018700000000, -0.0000946800000000 ] - [ -0.0003146300000000, -0.0002935800000000, -0.0002611300000000 ] - [ -0.0031867500000000, 0.0013489100000000, 0.0000666100000000 ] - [ -0.0034318600000000, -0.0012920200000000, -0.0000753000000000 ] - [ 0.0002796900000000, -0.0001284500000000, -0.0001709200000000 ] - [ 0.0000489200000000, -0.0002534200000000, -0.0001541800000000 ] - [ -0.0017240200000000, 0.0036430600000000, 0.0091872300000000 ] - [ -0.0017018000000000, 0.0001571600000000, 0.0017758800000000 ] - [ 0.0000731200000000, 0.0001569600000000, 0.0005065200000000 ] - [ 0.0013953600000000, 0.0003419400000000, 0.0000157300000000 ] - [ -0.0043127500000000, -0.0005261600000000, -0.0026784100000000 ] - [ -0.0022753600000000, 0.0003024800000000, -0.0012562100000000 ] - [ 0.0000298200000000, 0.0002925800000000, -0.0009951400000000 ] - [ 0.0009917900000000, 0.0005334400000000, -0.0015024200000000 ] - [ 0.0027687100000000, -0.0046482300000000, 0.0015427500000000 ] - [ 0.0461622200000000, 0.0168785800000000, -0.0216768100000000 ] - [ -0.0005378500000000, 0.0000384600000000, -0.0001378600000000 ] - [ -0.0000449700000000, 0.0000613400000000, -0.0002272600000000 ] - [ -0.0030652100000000, 0.0006330100000000, 0.0008705900000000 ] - [ -0.0072088100000000, 0.0052851500000000, 0.0036407400000000 ] - [ 0.0004373500000000, 0.0002029800000000, 0.0017575400000000 ] - [ 0.0002358500000000, -0.0001396100000000, 0.0003084100000000 ] - [ 0.0014876000000000, -0.0005885300000000, -0.0009270800000000 ] - [ 0.0001104200000000, -0.0000819100000000, -0.0013858400000000 ] - [ -0.0016370300000000, 0.0010188900000000, -0.0021800200000000 ] - [ -0.0060850400000000, -0.0005864900000000, -0.0068014500000000 ] - [ 0.1690731700000000, 0.0168499300000000, 0.0940097200000000 ] - [ 0.0023948600000000, -0.0048857500000000, 0.0069167300000000 ] - [ -0.0001996100000000, -0.0004622400000000, -0.0003008200000000 ] - [ -0.0000364100000000, -0.0007852900000000, -0.0008633000000000 ]- atom: 1 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ 0.2609536100000000, 0.0487882900000000, 0.0858353400000000 ] - [ 0.0039763900000000, -0.0018858300000000, 0.0016947000000000 ] - [ 0.0003658000000000, 0.0003116200000000, -0.0001785700000000 ] - [ -0.0010344800000000, 0.0003272800000000, -0.0001654800000000 ] - [ -0.0249231200000000, 0.0008314900000000, -0.0017478700000000 ] - [ -0.0014458300000000, -0.0009217700000000, 0.0028077900000000 ] - [ -0.0000062000000000, -0.0001962900000000, 0.0003576800000000 ] - [ 0.0003594600000000, -0.0002299300000000, -0.0006727200000000 ] - [ 0.0013748800000000, 0.0000111100000000, 0.0022767200000000 ] - [ -0.0001164400000000, -0.0000861600000000, 0.0011277000000000 ] - [ -0.0009611500000000, 0.0003055100000000, 0.0013093300000000 ] - [ -0.0007282000000000, 0.0007169500000000, 0.0010630200000000 ] - [ -0.0044332100000000, 0.0004323900000000, -0.0013767500000000 ] - [ -0.0024184900000000, 0.0003715500000000, 0.0005521500000000 ] - [ 0.0001264100000000, -0.0000256100000000, 0.0004045300000000 ] - [ 0.0013366400000000, -0.0000985600000000, -0.0001855300000000 ] - [ 0.0003479700000000, 0.0017665400000000, 0.0014986000000000 ] - [ -0.0016618800000000, 0.0009070500000000, 0.0013856200000000 ] - [ -0.0004640500000000, 0.0004921300000000, 0.0000833500000000 ] - [ 0.0005127900000000, 0.0004526200000000, 0.0003568800000000 ] - [ 0.0003965900000000, -0.0004492200000000, -0.0005606000000000 ] - [ 0.0001714200000000, -0.0010029000000000, 0.0014617300000000 ] - [ -0.0004587500000000, -0.0002120100000000, 0.0001023000000000 ] - [ 0.0002892300000000, -0.0001561000000000, 0.0001934300000000 ] - [ -0.0048986600000000, -0.0017195500000000, -0.0005794400000000 ] - [ -0.0007444800000000, -0.0000317800000000, 0.0000755100000000 ] - [ 0.0013529700000000, 0.0004577200000000, -0.0001024000000000 ] - [ 0.0000540600000000, 0.0003029500000000, -0.0005307200000000 ] - [ -0.0012398700000000, -0.0009164900000000, -0.0008061300000000 ] - [ -0.0136476000000000, 0.0005889600000000, -0.0059310000000000 ] - [ 0.0005007700000000, 0.0003968200000000, -0.0003616700000000 ] - [ -0.0004398700000000, 0.0005401400000000, -0.0005996500000000 ] - [ 0.0001692300000000, -0.0001898100000000, -0.0020465000000000 ] - [ -0.0001014800000000, 0.0000581000000000, -0.0001494800000000 ] - [ -0.0000297200000000, -0.0002707000000000, -0.0002936700000000 ] - [ -0.0020674900000000, 0.0002146500000000, -0.0042302900000000 ] - [ -0.0003791400000000, 0.0004881200000000, -0.0000291800000000 ] - [ 0.0000516600000000, 0.0007251700000000, -0.0010707500000000 ] - [ -0.0000917900000000, -0.0013477800000000, -0.0011409200000000 ] - [ -0.0012318600000000, 0.0024884500000000, -0.0087522500000000 ] - [ -0.0003002700000000, 0.0001170200000000, -0.0004100300000000 ] - [ 0.0001546700000000, 0.0000706600000000, -0.0000190100000000 ] - [ -0.0038785600000000, -0.0126744500000000, 0.0007292700000000 ] - [ -0.0002291500000000, -0.0095344900000000, -0.0083092300000000 ] - [ -0.0017776700000000, 0.0015890800000000, -0.0011682600000000 ] - [ -0.0011185600000000, 0.0012728400000000, -0.0007217600000000 ] - [ 0.0003423300000000, -0.0001900300000000, -0.0005754600000000 ] - [ -0.0075476400000000, 0.0001921300000000, 0.0077434000000000 ] - [ -0.0018978500000000, 0.0002764500000000, 0.0004435000000000 ] - [ -0.0023486500000000, 0.0012386200000000, 0.0020071700000000 ] - [ 0.0004381100000000, -0.0000250700000000, 0.0001607200000000 ] - [ 0.0003884700000000, 0.0001045700000000, 0.0001102900000000 ] - [ -0.0019207400000000, 0.0002996100000000, -0.0006122800000000 ] - [ -0.0034289100000000, -0.0002219200000000, 0.0007691600000000 ] - [ 0.0003692600000000, -0.0002773000000000, 0.0002407400000000 ] - [ 0.0004545100000000, -0.0004839200000000, 0.0001189400000000 ] - [ 0.0029431400000000, -0.0009467500000000, -0.0000543800000000 ] - [ 0.0036505500000000, 0.0016647700000000, 0.0000454400000000 ] - [ -0.0000519300000000, -0.0002607500000000, 0.0001516800000000 ] - [ -0.0002778100000000, -0.0001338300000000, 0.0001730000000000 ] - [ 0.0029111700000000, -0.0038617200000000, -0.0098307800000000 ] - [ 0.0005624400000000, -0.0004123600000000, -0.0010630600000000 ] - [ -0.0012180300000000, 0.0000985100000000, 0.0002178400000000 ] - [ -0.0002579000000000, -0.0000841000000000, -0.0007259300000000 ] - [ 0.0048455800000000, 0.0002014300000000, 0.0031941600000000 ] - [ 0.0017355100000000, -0.0006293800000000, 0.0007373400000000 ] - [ -0.0005647800000000, 0.0000299000000000, 0.0004768200000000 ] - [ -0.0004590500000000, -0.0002116600000000, 0.0020255900000000 ] - [ -0.0023339500000000, 0.0045222800000000, -0.0015924500000000 ] - [ -0.0498235200000000, -0.0185932600000000, 0.0231533500000000 ] - [ 0.0001140700000000, 0.0000843100000000, 0.0001970600000000 ] - [ 0.0004682200000000, 0.0000618200000000, 0.0001700300000000 ] - [ 0.0027914700000000, -0.0003890400000000, -0.0012647500000000 ] - [ 0.0074554400000000, -0.0050178300000000, -0.0032227600000000 ] - [ -0.0001624100000000, -0.0004439300000000, -0.0013717400000000 ] - [ -0.0005031500000000, -0.0001040300000000, -0.0007087800000000 ] - [ -0.0010446500000000, -0.0002309200000000, 0.0018650600000000 ] - [ -0.0005650800000000, -0.0007318100000000, 0.0004437400000000 ] - [ 0.0011872100000000, -0.0002068700000000, 0.0012415100000000 ] - [ 0.0065036500000000, 0.0014017600000000, 0.0077327800000000 ] - [ -0.1620786700000000, -0.0148323500000000, -0.0882388800000000 ] - [ -0.0025873500000000, 0.0059012300000000, -0.0064999700000000 ] - [ 0.0000305200000000, -0.0005927300000000, 0.0007070100000000 ] - [ 0.0002138200000000, -0.0002715700000000, 0.0004590900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0487915900000000, -0.0500293100000000, 0.0015481000000000 ] - [ -0.0009035000000000, 0.0023186100000000, -0.0006414200000000 ] - [ 0.0006756200000000, 0.0003249100000000, -0.0000308400000000 ] - [ -0.0006637400000000, 0.0003226700000000, -0.0000614700000000 ] - [ 0.0020292500000000, -0.0066447000000000, -0.0012180700000000 ] - [ 0.0001877300000000, 0.0014266900000000, -0.0004259600000000 ] - [ -0.0001754900000000, -0.0002024600000000, 0.0005113700000000 ] - [ 0.0001618200000000, -0.0002128200000000, -0.0005867800000000 ] - [ 0.0004001400000000, -0.0008084800000000, -0.0007376100000000 ] - [ -0.0004239300000000, 0.0000827300000000, 0.0004264400000000 ] - [ -0.0002969600000000, 0.0007565700000000, 0.0003494500000000 ] - [ 0.0005012600000000, -0.0004282900000000, -0.0009354400000000 ] - [ 0.0007318700000000, -0.0006526500000000, -0.0002779500000000 ] - [ 0.0000426700000000, 0.0007852500000000, 0.0002809100000000 ] - [ -0.0004330600000000, -0.0000504800000000, 0.0004235100000000 ] - [ 0.0002796600000000, -0.0001287900000000, -0.0004829000000000 ] - [ -0.0012517900000000, 0.0021479100000000, 0.0009157700000000 ] - [ -0.0012051400000000, -0.0011498300000000, 0.0001810900000000 ] - [ -0.0004006900000000, 0.0001946000000000, -0.0002946400000000 ] - [ 0.0004446800000000, 0.0002645700000000, 0.0002144700000000 ] - [ -0.0000575500000000, -0.0004410000000000, -0.0002758100000000 ] - [ 0.0019897800000000, 0.0028232600000000, -0.0014359000000000 ] - [ -0.0003057100000000, -0.0001679200000000, -0.0002458600000000 ] - [ 0.0003088800000000, -0.0001378500000000, 0.0001559500000000 ] - [ -0.0005817400000000, -0.0005203500000000, -0.0002850300000000 ] - [ 0.0012859200000000, -0.0000696400000000, 0.0004665200000000 ] - [ 0.0007880900000000, 0.0007104900000000, 0.0004863700000000 ] - [ -0.0007691600000000, 0.0001802100000000, -0.0000687200000000 ] - [ 0.0003196700000000, 0.0010991600000000, 0.0004651900000000 ] - [ 0.0008708500000000, -0.0010430700000000, -0.0001231200000000 ] - [ 0.0004570800000000, 0.0004065000000000, 0.0000403400000000 ] - [ -0.0004206200000000, 0.0005564100000000, -0.0002066400000000 ] - [ 0.0000867200000000, -0.0004086400000000, -0.0011350800000000 ] - [ -0.0001226000000000, 0.0001282400000000, 0.0005000800000000 ] - [ 0.0000022700000000, 0.0008139000000000, 0.0010811100000000 ] - [ 0.0000927900000000, -0.0007003700000000, -0.0002761700000000 ] - [ -0.0001712200000000, 0.0005766200000000, 0.0006516900000000 ] - [ 0.0001578800000000, 0.0006394000000000, -0.0006347100000000 ] - [ -0.0014685300000000, 0.0030377500000000, -0.0004430300000000 ] - [ -0.0080567900000000, -0.0049566500000000, -0.0066265800000000 ] - [ -0.0002201400000000, 0.0001629900000000, -0.0001802500000000 ] - [ 0.0002295800000000, 0.0001074400000000, 0.0001729800000000 ] - [ 0.0052424200000000, 0.0101848200000000, 0.0002141900000000 ] - [ 0.0110724400000000, 0.0031234800000000, 0.0101206600000000 ] - [ 0.0000784200000000, 0.0002972600000000, 0.0000701700000000 ] - [ -0.0000373900000000, 0.0016586700000000, 0.0000026400000000 ] - [ -0.0001489100000000, -0.0002832700000000, -0.0004140800000000 ] - [ 0.0024715100000000, -0.0012370200000000, -0.0027130400000000 ] - [ 0.0009982200000000, -0.0004762300000000, -0.0013959600000000 ] - [ -0.0005105000000000, -0.0002552800000000, -0.0026410500000000 ] - [ -0.0000619700000000, 0.0001718500000000, -0.0000893200000000 ] - [ -0.0000262600000000, 0.0000102800000000, -0.0000267200000000 ] - [ -0.0000237900000000, -0.0003631500000000, 0.0007121300000000 ] - [ 0.0005957100000000, 0.0033528400000000, -0.0002880400000000 ] - [ -0.0000867600000000, -0.0004607000000000, 0.0001512600000000 ] - [ 0.0000383700000000, -0.0003841100000000, -0.0000418900000000 ] - [ -0.0006608300000000, 0.0001996400000000, 0.0000359500000000 ] - [ -0.0009232600000000, 0.0003180000000000, 0.0002949100000000 ] - [ 0.0001161900000000, -0.0002053400000000, 0.0000162700000000 ] - [ -0.0001125800000000, -0.0001810700000000, 0.0000365300000000 ] - [ 0.0015310800000000, 0.0013016200000000, -0.0003372300000000 ] - [ -0.0007164300000000, -0.0004586200000000, 0.0006522800000000 ] - [ -0.0004435600000000, 0.0000388200000000, 0.0003095300000000 ] - [ 0.0007436500000000, 0.0002796300000000, -0.0002483900000000 ] - [ 0.0021307400000000, 0.0007103500000000, 0.0011580000000000 ] - [ -0.0002459200000000, -0.0004634200000000, -0.0002259800000000 ] - [ -0.0001396300000000, -0.0001489800000000, -0.0004985800000000 ] - [ 0.0004241400000000, 0.0003739500000000, 0.0002856000000000 ] - [ 0.0001872800000000, -0.0063258300000000, 0.0008771400000000 ] - [ 0.0206150100000000, 0.0115951300000000, -0.0100353200000000 ] - [ -0.0002089400000000, 0.0001096900000000, 0.0001205700000000 ] - [ 0.0002120700000000, 0.0000368300000000, -0.0000028800000000 ] - [ -0.0010119800000000, -0.0035451800000000, 0.0010011300000000 ] - [ -0.0007470900000000, 0.0032211300000000, 0.0009401600000000 ] - [ 0.0001600300000000, -0.0001184900000000, 0.0004075100000000 ] - [ -0.0000674800000000, -0.0001846400000000, -0.0002018400000000 ] - [ -0.0001921800000000, -0.0000360400000000, 0.0007949900000000 ] - [ -0.0002001800000000, -0.0010303100000000, -0.0004385300000000 ] - [ -0.0012338400000000, -0.0015251900000000, -0.0018628200000000 ] - [ -0.0000647700000000, 0.0009279700000000, 0.0001330400000000 ] - [ 0.0143383000000000, 0.0371688000000000, 0.0087202700000000 ] - [ 0.0015955400000000, -0.0074853800000000, 0.0030636200000000 ] - [ -0.0000994200000000, -0.0005032800000000, 0.0002145300000000 ] - [ 0.0000882900000000, -0.0005228400000000, -0.0001127500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0486756100000000, 0.0493299500000000, -0.0008394900000000 ] - [ 0.0022142900000000, -0.0029737600000000, 0.0006304200000000 ] - [ 0.0006403000000000, 0.0003312800000000, 0.0000050800000000 ] - [ -0.0006596700000000, 0.0003353700000000, 0.0000836400000000 ] - [ -0.0017379300000000, 0.0070224400000000, 0.0001563500000000 ] - [ -0.0005254600000000, -0.0010215700000000, 0.0014982200000000 ] - [ -0.0001488400000000, -0.0002060000000000, 0.0005398800000000 ] - [ 0.0001715800000000, -0.0001979700000000, -0.0004677400000000 ] - [ 0.0003614200000000, 0.0006583100000000, -0.0002072100000000 ] - [ -0.0003331700000000, -0.0002341500000000, 0.0005276200000000 ] - [ -0.0004533400000000, -0.0006093000000000, 0.0005960700000000 ] - [ 0.0002433500000000, 0.0005712500000000, -0.0000202400000000 ] - [ -0.0000428800000000, 0.0008218000000000, -0.0005452500000000 ] - [ -0.0007498000000000, -0.0006033900000000, 0.0005454800000000 ] - [ -0.0002707000000000, -0.0001210800000000, 0.0003906900000000 ] - [ 0.0004115900000000, -0.0000413800000000, -0.0003349100000000 ] - [ 0.0021657400000000, -0.0027878400000000, -0.0004998400000000 ] - [ 0.0003029900000000, 0.0005041400000000, -0.0006045200000000 ] - [ -0.0004893000000000, 0.0004483000000000, -0.0001328600000000 ] - [ 0.0004462800000000, 0.0003852200000000, 0.0002094900000000 ] - [ -0.0000877100000000, -0.0006303600000000, 0.0003078200000000 ] - [ -0.0013401100000000, -0.0024900200000000, 0.0017910900000000 ] - [ -0.0003269900000000, -0.0001538300000000, -0.0001276300000000 ] - [ 0.0003304300000000, -0.0001926800000000, 0.0002079600000000 ] - [ -0.0009823100000000, -0.0003099300000000, -0.0001875800000000 ] - [ 0.0002690000000000, -0.0007514700000000, 0.0000105000000000 ] - [ 0.0007637200000000, 0.0001212600000000, -0.0000087700000000 ] - [ -0.0007740800000000, 0.0006506800000000, -0.0004152800000000 ] - [ -0.0011212900000000, -0.0019867900000000, -0.0007652500000000 ] - [ -0.0000807800000000, 0.0001540800000000, 0.0004424600000000 ] - [ 0.0003573800000000, 0.0004883100000000, 0.0002725100000000 ] - [ -0.0003913300000000, 0.0003387200000000, -0.0001099200000000 ] - [ 0.0001016500000000, 0.0003444100000000, 0.0001238300000000 ] - [ -0.0000768000000000, -0.0001778900000000, 0.0004870400000000 ] - [ -0.0001916300000000, -0.0007529600000000, -0.0000775600000000 ] - [ 0.0000893000000000, 0.0007646600000000, -0.0007384500000000 ] - [ -0.0001212800000000, 0.0006361100000000, 0.0007125500000000 ] - [ 0.0001371600000000, 0.0005712100000000, -0.0007267200000000 ] - [ 0.0017675500000000, -0.0042498500000000, -0.0009143700000000 ] - [ 0.0077613900000000, 0.0037747000000000, 0.0080017400000000 ] - [ -0.0002272000000000, 0.0001330800000000, -0.0001612600000000 ] - [ 0.0002173000000000, 0.0001852400000000, 0.0001648000000000 ] - [ -0.0048614700000000, -0.0105434600000000, 0.0000980800000000 ] - [ -0.0113872800000000, -0.0033878400000000, -0.0102866500000000 ] - [ -0.0002393500000000, 0.0007554400000000, -0.0000367900000000 ] - [ 0.0001811500000000, -0.0005742500000000, -0.0000413700000000 ] - [ 0.0002923500000000, -0.0007955400000000, 0.0003717100000000 ] - [ -0.0031080900000000, 0.0015655100000000, 0.0023599000000000 ] - [ -0.0009904500000000, 0.0004118900000000, 0.0014114900000000 ] - [ 0.0004974800000000, 0.0001632700000000, 0.0026035700000000 ] - [ 0.0000542900000000, -0.0001043500000000, 0.0000726000000000 ] - [ 0.0000354600000000, 0.0000537200000000, 0.0000460500000000 ] - [ 0.0001617100000000, 0.0011350100000000, -0.0008617100000000 ] - [ -0.0007419600000000, -0.0024492300000000, 0.0002657000000000 ] - [ -0.0000513000000000, -0.0003172200000000, -0.0000041400000000 ] - [ 0.0001002400000000, -0.0003932000000000, -0.0001022900000000 ] - [ 0.0004363000000000, 0.0001788400000000, -0.0000204000000000 ] - [ 0.0011574500000000, 0.0000815500000000, -0.0003132500000000 ] - [ 0.0001115100000000, -0.0001839600000000, -0.0000336800000000 ] - [ -0.0001161200000000, -0.0002058500000000, -0.0000157000000000 ] - [ -0.0003944000000000, -0.0015779300000000, -0.0004124100000000 ] - [ -0.0004171100000000, 0.0002038400000000, 0.0000532500000000 ] - [ -0.0007030900000000, 0.0002159900000000, 0.0004196200000000 ] - [ 0.0003948000000000, -0.0000224900000000, -0.0004613700000000 ] - [ -0.0015767200000000, -0.0010244300000000, -0.0006208500000000 ] - [ -0.0002833900000000, 0.0001468300000000, -0.0002855100000000 ] - [ -0.0003950700000000, 0.0004705200000000, -0.0000181300000000 ] - [ 0.0001129800000000, -0.0000491500000000, 0.0002356200000000 ] - [ 0.0002178200000000, 0.0061962200000000, -0.0009517900000000 ] - [ -0.0213988200000000, -0.0115434600000000, 0.0101646100000000 ] - [ -0.0002137500000000, 0.0000121200000000, -0.0000605300000000 ] - [ 0.0002133900000000, 0.0000851400000000, -0.0000530400000000 ] - [ 0.0007287500000000, 0.0037848600000000, -0.0013894400000000 ] - [ 0.0010196200000000, -0.0029697300000000, -0.0005214300000000 ] - [ 0.0001137500000000, -0.0001271900000000, -0.0000155400000000 ] - [ -0.0002020800000000, -0.0000618500000000, -0.0001976400000000 ] - [ 0.0006278600000000, -0.0007745300000000, 0.0001495200000000 ] - [ -0.0002437100000000, 0.0002150000000000, -0.0004935800000000 ] - [ 0.0007773500000000, 0.0023276900000000, 0.0009140500000000 ] - [ 0.0005354800000000, -0.0001053400000000, 0.0007896800000000 ] - [ -0.0150015600000000, -0.0363214600000000, -0.0098149000000000 ] - [ -0.0017546700000000, 0.0085358600000000, -0.0026683100000000 ] - [ -0.0000758400000000, -0.0005524900000000, 0.0002009100000000 ] - [ 0.0000910700000000, -0.0005326200000000, -0.0002963000000000 ]- atom: 1 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ 0.0525997100000000, 0.0252832900000000, -0.0706388000000000 ] - [ 0.0008185200000000, -0.0005478800000000, -0.0008968700000000 ] - [ 0.0006593000000000, 0.0003024600000000, 0.0006506300000000 ] - [ -0.0006863800000000, 0.0003857800000000, 0.0008511200000000 ] - [ -0.0149970100000000, -0.0000705000000000, -0.0099918200000000 ] - [ -0.0001395400000000, 0.0000341300000000, -0.0003774600000000 ] - [ -0.0004480300000000, -0.0000440500000000, 0.0015249700000000 ] - [ -0.0000823600000000, -0.0003458000000000, 0.0006149800000000 ] - [ -0.0009764800000000, 0.0003269000000000, 0.0055124900000000 ] - [ -0.0002837700000000, -0.0000817500000000, 0.0014230300000000 ] - [ -0.0007798800000000, 0.0004722900000000, 0.0009989400000000 ] - [ -0.0000755200000000, 0.0007254100000000, 0.0014746400000000 ] - [ -0.0010367900000000, 0.0006927400000000, -0.0011715600000000 ] - [ -0.0017972400000000, 0.0004308000000000, -0.0001243700000000 ] - [ -0.0002151600000000, -0.0001078200000000, 0.0010103700000000 ] - [ 0.0011261600000000, -0.0000315400000000, 0.0008860900000000 ] - [ -0.0008324100000000, 0.0023867200000000, 0.0006453000000000 ] - [ -0.0012943100000000, 0.0011992700000000, 0.0006943800000000 ] - [ -0.0007812700000000, 0.0012395900000000, 0.0009983100000000 ] - [ 0.0004445800000000, 0.0005407800000000, 0.0008283700000000 ] - [ 0.0000050800000000, -0.0005529700000000, 0.0008558300000000 ] - [ -0.0000974600000000, -0.0005399600000000, -0.0011119000000000 ] - [ -0.0010298300000000, -0.0006464200000000, 0.0018808700000000 ] - [ 0.0001093400000000, 0.0000155800000000, 0.0010825800000000 ] - [ -0.0023030700000000, -0.0008413700000000, -0.0007292100000000 ] - [ 0.0005813100000000, -0.0003767900000000, 0.0002338200000000 ] - [ 0.0011694100000000, 0.0007344600000000, 0.0007137300000000 ] - [ -0.0006574500000000, 0.0003674700000000, 0.0005356600000000 ] - [ -0.0003012100000000, -0.0002596100000000, -0.0012045000000000 ] - [ -0.0037725900000000, -0.0005177000000000, -0.0037335000000000 ] - [ 0.0006106100000000, 0.0005398600000000, 0.0016238600000000 ] - [ -0.0000808400000000, 0.0003162300000000, 0.0008066800000000 ] - [ -0.0001670200000000, 0.0001228900000000, 0.0008142300000000 ] - [ 0.0000152000000000, -0.0000789600000000, 0.0005401700000000 ] - [ -0.0002616100000000, -0.0000962300000000, 0.0007474000000000 ] - [ 0.0020202800000000, -0.0001221000000000, -0.0003781900000000 ] - [ 0.0000180500000000, 0.0008579000000000, 0.0015843200000000 ] - [ 0.0002900100000000, 0.0002771300000000, 0.0002886000000000 ] - [ 0.0002830600000000, -0.0019652000000000, -0.0024542900000000 ] - [ 0.0107350900000000, -0.0012617500000000, 0.0040945300000000 ] - [ -0.0002520700000000, 0.0001149700000000, 0.0004507900000000 ] - [ 0.0001642600000000, 0.0001316500000000, 0.0009170600000000 ] - [ -0.0009388700000000, -0.0039174000000000, -0.0020858200000000 ] - [ 0.0069672100000000, 0.0030508100000000, -0.0033331700000000 ] - [ -0.0005018400000000, 0.0003417700000000, -0.0006701200000000 ] - [ 0.0003391100000000, -0.0006092200000000, 0.0003969100000000 ] - [ 0.0005739300000000, -0.0010237700000000, 0.0005773700000000 ] - [ -0.0069737600000000, -0.0001174100000000, 0.0065993600000000 ] - [ -0.0001926800000000, -0.0006388500000000, -0.0006278500000000 ] - [ -0.0020577500000000, -0.0022338600000000, -0.0008091600000000 ] - [ 0.0001359700000000, -0.0001208200000000, -0.0005986000000000 ] - [ 0.0002880900000000, -0.0001024400000000, -0.0003420500000000 ] - [ -0.0001061500000000, 0.0014370300000000, -0.0007551600000000 ] - [ -0.0018951500000000, 0.0000295700000000, 0.0022727200000000 ] - [ 0.0000340200000000, -0.0002647900000000, -0.0006164700000000 ] - [ 0.0003374800000000, -0.0002764100000000, -0.0003948800000000 ] - [ 0.0009783300000000, -0.0003899700000000, 0.0013883900000000 ] - [ 0.0009520700000000, 0.0010755100000000, 0.0015251300000000 ] - [ 0.0000490600000000, -0.0002658900000000, -0.0007080400000000 ] - [ -0.0001887700000000, -0.0001421700000000, -0.0006445200000000 ] - [ 0.0050749000000000, -0.0025201700000000, -0.0043586500000000 ] - [ -0.0003815700000000, -0.0009603900000000, 0.0004064500000000 ] - [ -0.0008004900000000, -0.0004021600000000, -0.0005632400000000 ] - [ 0.0002117700000000, -0.0000440000000000, -0.0018617200000000 ] - [ -0.0015018800000000, -0.0007316000000000, -0.0013004700000000 ] - [ 0.0006732100000000, 0.0000141200000000, 0.0004328100000000 ] - [ -0.0004867000000000, 0.0003270700000000, -0.0011905700000000 ] - [ -0.0005135000000000, 0.0004258300000000, -0.0006205900000000 ] - [ -0.0000834100000000, -0.0006348900000000, 0.0033396400000000 ] - [ -0.0444163300000000, -0.0178069900000000, 0.0235644500000000 ] - [ -0.0002674600000000, -0.0001444000000000, -0.0015293800000000 ] - [ 0.0001406200000000, 0.0001442800000000, -0.0010196100000000 ] - [ 0.0018960400000000, -0.0017359700000000, -0.0002205800000000 ] - [ 0.0042990800000000, -0.0043855200000000, -0.0027196600000000 ] - [ 0.0003187500000000, -0.0006724700000000, -0.0047887100000000 ] - [ -0.0000755700000000, -0.0003879200000000, -0.0017428000000000 ] - [ 0.0004784800000000, -0.0003645000000000, -0.0017447500000000 ] - [ -0.0010413000000000, -0.0001452800000000, -0.0014785900000000 ] - [ 0.0001821600000000, 0.0012995000000000, 0.0001147300000000 ] - [ 0.0003110300000000, 0.0012880100000000, 0.0048785000000000 ] - [ -0.0002179700000000, 0.0008698400000000, 0.0503439500000000 ] - [ -0.0005220700000000, 0.0027030000000000, 0.0017541700000000 ] - [ 0.0002514100000000, -0.0002710100000000, -0.0014559000000000 ] - [ 0.0003698100000000, -0.0007059200000000, -0.0018848100000000 ]- atom: 1 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ -0.0512992900000000, -0.0248935500000000, 0.0714385600000000 ] - [ 0.0004898100000000, -0.0001066400000000, 0.0008747200000000 ] - [ 0.0006436300000000, 0.0003456700000000, -0.0006636900000000 ] - [ -0.0006125500000000, 0.0002627200000000, -0.0008328500000000 ] - [ 0.0154846700000000, 0.0004688800000000, 0.0090167300000000 ] - [ -0.0001787700000000, 0.0003816500000000, 0.0014176300000000 ] - [ 0.0001225400000000, -0.0003717400000000, -0.0004808900000000 ] - [ 0.0004085700000000, -0.0000706000000000, -0.0016582000000000 ] - [ 0.0017441200000000, -0.0004698700000000, -0.0065056300000000 ] - [ -0.0004621700000000, -0.0000600200000000, -0.0004700300000000 ] - [ 0.0000317700000000, -0.0003326600000000, -0.0000402100000000 ] - [ 0.0008134500000000, -0.0005832500000000, -0.0024143100000000 ] - [ 0.0017083400000000, -0.0005036300000000, 0.0003227300000000 ] - [ 0.0011062300000000, -0.0002521400000000, 0.0009567200000000 ] - [ -0.0004984700000000, -0.0000845100000000, -0.0001716800000000 ] - [ -0.0004200600000000, -0.0001655500000000, -0.0017394200000000 ] - [ 0.0017269400000000, -0.0030326400000000, -0.0002155900000000 ] - [ 0.0003937000000000, -0.0018396300000000, -0.0011155500000000 ] - [ -0.0001074300000000, -0.0005992400000000, -0.0014284400000000 ] - [ 0.0004477200000000, 0.0001131300000000, -0.0004031200000000 ] - [ -0.0001785500000000, -0.0005019800000000, -0.0008416700000000 ] - [ 0.0007314900000000, 0.0008442800000000, 0.0014712500000000 ] - [ 0.0004062400000000, 0.0003529600000000, -0.0022386700000000 ] - [ 0.0005169100000000, -0.0003068600000000, -0.0007365700000000 ] - [ 0.0007446400000000, -0.0000037900000000, 0.0002484800000000 ] - [ 0.0009532000000000, -0.0004620400000000, 0.0002481600000000 ] - [ 0.0003742700000000, 0.0001097300000000, -0.0002267500000000 ] - [ -0.0008800500000000, 0.0004808600000000, -0.0010285000000000 ] - [ -0.0005035400000000, -0.0006372000000000, 0.0009119600000000 ] - [ 0.0045477200000000, -0.0003786000000000, 0.0040442200000000 ] - [ 0.0001870400000000, 0.0003460800000000, -0.0013262600000000 ] - [ -0.0007173700000000, 0.0005730100000000, -0.0010937200000000 ] - [ 0.0003739100000000, -0.0001697200000000, -0.0018202500000000 ] - [ -0.0002206300000000, 0.0000282900000000, 0.0004659300000000 ] - [ 0.0000590600000000, 0.0001315300000000, 0.0002230600000000 ] - [ -0.0018141700000000, 0.0001571900000000, -0.0006088000000000 ] - [ -0.0003456000000000, 0.0003750600000000, -0.0002272700000000 ] - [ 0.0000319900000000, 0.0009522600000000, -0.0016478200000000 ] - [ 0.0000202000000000, 0.0007470000000000, 0.0010923400000000 ] - [ -0.0109555900000000, 0.0000050700000000, -0.0027244000000000 ] - [ -0.0001861100000000, 0.0001979300000000, -0.0007778200000000 ] - [ 0.0002734600000000, 0.0001786500000000, -0.0005935700000000 ] - [ 0.0013712700000000, 0.0036072000000000, 0.0024021400000000 ] - [ -0.0073970000000000, -0.0033746000000000, 0.0029435900000000 ] - [ 0.0003419700000000, 0.0007297800000000, 0.0007042300000000 ] - [ -0.0001830200000000, 0.0016684900000000, -0.0004315900000000 ] - [ -0.0003910300000000, -0.0000299900000000, -0.0005933400000000 ] - [ 0.0062667300000000, 0.0003939200000000, -0.0068545300000000 ] - [ 0.0001888300000000, 0.0005735000000000, 0.0006517000000000 ] - [ 0.0020430400000000, 0.0021488900000000, 0.0007638700000000 ] - [ -0.0001414500000000, 0.0001817300000000, 0.0005777900000000 ] - [ -0.0002788100000000, 0.0001712300000000, 0.0003554600000000 ] - [ 0.0002361200000000, -0.0006557100000000, 0.0006091600000000 ] - [ 0.0017319700000000, 0.0008868600000000, -0.0022463500000000 ] - [ -0.0001695800000000, -0.0005137800000000, 0.0007637200000000 ] - [ -0.0001988100000000, -0.0005030300000000, 0.0002480300000000 ] - [ -0.0012034800000000, 0.0007764900000000, -0.0013695600000000 ] - [ -0.0007136400000000, -0.0006840100000000, -0.0015442500000000 ] - [ 0.0001792400000000, -0.0001232400000000, 0.0006896000000000 ] - [ -0.0000392700000000, -0.0002464300000000, 0.0006633900000000 ] - [ -0.0039653700000000, 0.0022672700000000, 0.0036190000000000 ] - [ -0.0007490200000000, 0.0006974200000000, 0.0003071200000000 ] - [ -0.0003440000000000, 0.0006595500000000, 0.0012847700000000 ] - [ 0.0009224000000000, 0.0002986500000000, 0.0011457400000000 ] - [ 0.0020603900000000, 0.0004058300000000, 0.0018292000000000 ] - [ -0.0012095200000000, -0.0003363800000000, -0.0009541200000000 ] - [ -0.0000495700000000, -0.0000051600000000, 0.0006841800000000 ] - [ 0.0010530600000000, -0.0001063000000000, 0.0011326200000000 ] - [ 0.0005046500000000, 0.0005379000000000, -0.0034167500000000 ] - [ 0.0420111700000000, 0.0167467500000000, -0.0232990100000000 ] - [ -0.0001549100000000, 0.0002678300000000, 0.0015919500000000 ] - [ 0.0002798100000000, -0.0000210300000000, 0.0009576700000000 ] - [ -0.0021707200000000, 0.0019799900000000, -0.0001811300000000 ] - [ -0.0039919100000000, 0.0046026400000000, 0.0031185800000000 ] - [ -0.0000415900000000, 0.0004345700000000, 0.0051879600000000 ] - [ -0.0001943600000000, 0.0001430100000000, 0.0013408700000000 ] - [ -0.0000416900000000, -0.0004495700000000, 0.0026908800000000 ] - [ 0.0005980100000000, -0.0006734600000000, 0.0005385200000000 ] - [ -0.0006177400000000, -0.0004837600000000, -0.0010383900000000 ] - [ 0.0001494700000000, -0.0004740600000000, -0.0039593100000000 ] - [ -0.0003685300000000, 0.0000782100000000, -0.0516171600000000 ] - [ 0.0003312200000000, -0.0016616900000000, -0.0013386100000000 ] - [ -0.0004253400000000, -0.0007875700000000, 0.0018632700000000 ] - [ -0.0001902500000000, -0.0003540300000000, 0.0014783000000000 ]- atom: 5 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ 0.0244498400000000, 0.0015527300000000, -0.0030424100000000 ] - [ 0.0019243400000000, -0.0006798400000000, 0.0007402100000000 ] - [ 0.0004914800000000, 0.0003130700000000, -0.0004194100000000 ] - [ -0.0008519500000000, 0.0003335600000000, -0.0003883800000000 ] - [ -0.2004996900000000, 0.0117982500000000, 0.1018218100000000 ] - [ 0.0007396500000000, 0.0003949200000000, 0.0007239900000000 ] - [ -0.0000450100000000, -0.0002660500000000, 0.0000554000000000 ] - [ 0.0004353900000000, -0.0001422000000000, -0.0010403100000000 ] - [ -0.0005126900000000, -0.0003824100000000, 0.0005103100000000 ] - [ -0.0001823800000000, -0.0000217100000000, 0.0001022900000000 ] - [ -0.0008242300000000, 0.0000226600000000, 0.0004625200000000 ] - [ 0.0012303500000000, -0.0001209300000000, 0.0001299100000000 ] - [ 0.0029192000000000, -0.0000324300000000, 0.0040657200000000 ] - [ -0.0009118800000000, -0.0002785100000000, 0.0002005100000000 ] - [ -0.0001944000000000, -0.0000464200000000, 0.0001250000000000 ] - [ 0.0003797700000000, -0.0000627600000000, -0.0007565800000000 ] - [ -0.0018932500000000, -0.0006822200000000, 0.0003708100000000 ] - [ 0.0008750300000000, -0.0001992900000000, -0.0003843100000000 ] - [ -0.0007072500000000, 0.0003613100000000, -0.0005252300000000 ] - [ 0.0005645200000000, 0.0003978600000000, -0.0000114600000000 ] - [ -0.0000332700000000, -0.0004936700000000, -0.0008690900000000 ] - [ -0.0013942700000000, -0.0007832300000000, 0.0017997200000000 ] - [ -0.0003866500000000, -0.0000614700000000, -0.0005612000000000 ] - [ 0.0004672800000000, -0.0002604700000000, -0.0002480300000000 ] - [ 0.0063316100000000, -0.0010732600000000, -0.0056190600000000 ] - [ 0.0003984700000000, -0.0002044300000000, 0.0003230400000000 ] - [ 0.0008642400000000, 0.0004318300000000, 0.0001707900000000 ] - [ -0.0004421600000000, 0.0004424000000000, -0.0008908500000000 ] - [ -0.0015124700000000, -0.0011646100000000, 0.0004465300000000 ] - [ 0.0110090000000000, -0.0006590600000000, 0.0009602500000000 ] - [ 0.0002591300000000, 0.0003497500000000, -0.0006823800000000 ] - [ -0.0003816400000000, 0.0004550700000000, -0.0006045500000000 ] - [ -0.0001302400000000, -0.0001568000000000, -0.0015536800000000 ] - [ 0.0003954500000000, 0.0000322300000000, 0.0001152000000000 ] - [ -0.0005717200000000, -0.0002630400000000, 0.0001168000000000 ] - [ 0.0028947900000000, 0.0002014700000000, -0.0009149900000000 ] - [ -0.0001224100000000, 0.0004771200000000, -0.0000105900000000 ] - [ -0.0000049800000000, 0.0007935500000000, -0.0012369500000000 ] - [ 0.0012041000000000, -0.0001478900000000, 0.0003898700000000 ] - [ -0.0023501800000000, 0.0028653000000000, -0.0083707100000000 ] - [ -0.0001525400000000, 0.0001330400000000, -0.0006569400000000 ] - [ 0.0001758200000000, 0.0000949300000000, -0.0001954600000000 ] - [ 0.0019093500000000, 0.0011960000000000, 0.0007867200000000 ] - [ -0.0011057300000000, -0.0077249800000000, -0.0061913200000000 ] - [ 0.0015798800000000, 0.0019785500000000, -0.0009625100000000 ] - [ -0.0006744500000000, 0.0007754700000000, -0.0001108500000000 ] - [ 0.0003027200000000, -0.0004058100000000, -0.0000756300000000 ] - [ 0.0022687700000000, -0.0001430600000000, -0.0013237500000000 ] - [ -0.0009440900000000, 0.0005468600000000, 0.0011154500000000 ] - [ -0.0001963600000000, -0.0007348600000000, -0.0014608700000000 ] - [ 0.0001564600000000, 0.0000196100000000, 0.0001479300000000 ] - [ 0.0000943900000000, 0.0005514800000000, 0.0008168700000000 ] - [ -0.0008130800000000, -0.0004889200000000, 0.0005407200000000 ] - [ -0.0003564700000000, 0.0014810700000000, -0.0018906100000000 ] - [ 0.0000716000000000, -0.0003643900000000, 0.0002982200000000 ] - [ 0.0001849300000000, -0.0006204400000000, 0.0004884500000000 ] - [ -0.0017029800000000, 0.0038965200000000, -0.0016588800000000 ] - [ 0.0022385200000000, 0.0004889900000000, -0.0007551500000000 ] - [ 0.0000505200000000, -0.0001936600000000, 0.0003293300000000 ] - [ -0.0001579700000000, -0.0001887700000000, 0.0003211700000000 ] - [ 0.0055569200000000, 0.0053624800000000, 0.0089351400000000 ] - [ -0.0007047500000000, -0.0002010100000000, 0.0000530600000000 ] - [ -0.0004448300000000, 0.0002774900000000, 0.0007912900000000 ] - [ 0.0001037600000000, -0.0000708400000000, 0.0000434200000000 ] - [ 0.0049586700000000, 0.0005517600000000, 0.0004492500000000 ] - [ -0.0017257300000000, -0.0013151100000000, -0.0007483900000000 ] - [ -0.0001783100000000, -0.0000409000000000, 0.0004665600000000 ] - [ -0.0000792700000000, -0.0000997000000000, 0.0009652400000000 ] - [ 0.0011316200000000, 0.0031743700000000, -0.0023905300000000 ] - [ -0.0102710100000000, -0.0028595200000000, 0.0003219200000000 ] - [ 0.0000269000000000, 0.0001330100000000, 0.0006748300000000 ] - [ 0.0002717100000000, 0.0001067100000000, 0.0004963400000000 ] - [ 0.0020491500000000, 0.0013967200000000, -0.0001741200000000 ] - [ -0.0042520600000000, 0.0010636900000000, 0.0000778700000000 ] - [ 0.0003813300000000, -0.0005773100000000, 0.0006432200000000 ] - [ -0.0004914200000000, -0.0000567800000000, 0.0004764700000000 ] - [ 0.0000161500000000, -0.0001914900000000, 0.0022210800000000 ] - [ -0.0007409900000000, -0.0003769800000000, 0.0001129900000000 ] - [ 0.0010018100000000, 0.0002835800000000, -0.0006575700000000 ] - [ -0.0074173600000000, -0.0023377400000000, 0.0018853300000000 ] - [ 0.1659493400000000, -0.0160667500000000, -0.0910988400000000 ] - [ -0.0018815800000000, -0.0004429500000000, -0.0006169500000000 ] - [ -0.0000808900000000, -0.0006329100000000, 0.0011263700000000 ] - [ 0.0000106200000000, -0.0004178300000000, 0.0008826300000000 ]- atom: 5 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ -0.0265120400000000, -0.0022208500000000, 0.0030940700000000 ] - [ -0.0006254300000000, 0.0000294500000000, -0.0007670700000000 ] - [ 0.0008066400000000, 0.0003362700000000, 0.0004052000000000 ] - [ -0.0004525400000000, 0.0003179600000000, 0.0004145500000000 ] - [ 0.2080440600000000, -0.0129055900000000, -0.1098072400000000 ] - [ -0.0010618600000000, 0.0000136400000000, 0.0003280100000000 ] - [ -0.0002852600000000, -0.0001431900000000, 0.0010064600000000 ] - [ -0.0000938800000000, -0.0002717100000000, -0.0000107700000000 ] - [ 0.0012820100000000, 0.0002381800000000, -0.0013909600000000 ] - [ -0.0005715900000000, -0.0001244900000000, 0.0008549200000000 ] - [ 0.0000620800000000, 0.0001303300000000, 0.0004925700000000 ] - [ -0.0004819900000000, 0.0002649800000000, -0.0010657100000000 ] - [ -0.0022355500000000, 0.0002212800000000, -0.0048880600000000 ] - [ 0.0001874500000000, 0.0004773200000000, 0.0006450000000000 ] - [ -0.0005118700000000, -0.0001439100000000, 0.0007187400000000 ] - [ 0.0003260300000000, -0.0001219100000000, -0.0000681800000000 ] - [ 0.0028000500000000, 0.0001115700000000, 0.0000797400000000 ] - [ -0.0017731500000000, -0.0004351700000000, -0.0000350600000000 ] - [ -0.0001917600000000, 0.0002817400000000, 0.0001109000000000 ] - [ 0.0003336600000000, 0.0002510300000000, 0.0004363400000000 ] - [ -0.0001331800000000, -0.0005557600000000, 0.0009004800000000 ] - [ 0.0020302900000000, 0.0010826000000000, -0.0014562900000000 ] - [ -0.0002442700000000, -0.0002397400000000, 0.0002157300000000 ] - [ 0.0001603400000000, -0.0000397100000000, 0.0006018500000000 ] - [ -0.0078725700000000, 0.0002012200000000, 0.0050862000000000 ] - [ 0.0011549200000000, -0.0006362700000000, 0.0001605900000000 ] - [ 0.0007023500000000, 0.0004224000000000, 0.0003195500000000 ] - [ -0.0011106700000000, 0.0004006900000000, 0.0004097800000000 ] - [ 0.0007151300000000, 0.0002812100000000, -0.0007635700000000 ] - [ -0.0101640300000000, -0.0002196000000000, -0.0006881900000000 ] - [ 0.0005403700000000, 0.0005397300000000, 0.0009916100000000 ] - [ -0.0004125000000000, 0.0004318900000000, 0.0003053400000000 ] - [ 0.0003388400000000, 0.0001080500000000, 0.0005610100000000 ] - [ -0.0006072000000000, -0.0000679900000000, 0.0008627200000000 ] - [ 0.0003633800000000, 0.0003058900000000, 0.0008708600000000 ] - [ -0.0026934000000000, -0.0001565200000000, -0.0000918400000000 ] - [ -0.0001874800000000, 0.0007518100000000, 0.0013770800000000 ] - [ 0.0003227900000000, 0.0004308700000000, -0.0001138600000000 ] - [ -0.0008834600000000, -0.0010747600000000, -0.0017441100000000 ] - [ 0.0020850000000000, -0.0041742000000000, 0.0098906700000000 ] - [ -0.0002880400000000, 0.0001710800000000, 0.0003378100000000 ] - [ 0.0002642200000000, 0.0002117800000000, 0.0005279900000000 ] - [ -0.0014763900000000, -0.0015417100000000, -0.0004547300000000 ] - [ 0.0006841600000000, 0.0075920200000000, 0.0059773800000000 ] - [ -0.0017497700000000, -0.0009285900000000, 0.0009765200000000 ] - [ 0.0008364900000000, 0.0002872200000000, 0.0000815100000000 ] - [ -0.0001356400000000, -0.0006588000000000, 0.0000458300000000 ] - [ -0.0029097700000000, 0.0004372700000000, 0.0009851200000000 ] - [ 0.0009547400000000, -0.0006182100000000, -0.0011028300000000 ] - [ 0.0001735300000000, 0.0006731900000000, 0.0014630100000000 ] - [ -0.0001656800000000, 0.0000512500000000, -0.0001641200000000 ] - [ -0.0000799300000000, -0.0004838800000000, -0.0008018500000000 ] - [ 0.0009528300000000, 0.0012693900000000, -0.0006884600000000 ] - [ 0.0002014900000000, -0.0007136700000000, 0.0020551100000000 ] - [ -0.0002124200000000, -0.0004125300000000, -0.0001557900000000 ] - [ -0.0000414600000000, -0.0001587000000000, -0.0006346700000000 ] - [ 0.0015129800000000, -0.0035353500000000, 0.0016858800000000 ] - [ -0.0018930100000000, 0.0000790000000000, 0.0008164000000000 ] - [ 0.0001768100000000, -0.0001967000000000, -0.0003518200000000 ] - [ -0.0000716100000000, -0.0001993000000000, -0.0003052800000000 ] - [ -0.0042318700000000, -0.0054838800000000, -0.0093410500000000 ] - [ -0.0004331400000000, -0.0000603500000000, 0.0006579000000000 ] - [ -0.0007072300000000, -0.0000259400000000, -0.0000770400000000 ] - [ 0.0010337400000000, 0.0003259100000000, -0.0007629000000000 ] - [ -0.0044416200000000, -0.0008775600000000, 0.0000717000000000 ] - [ 0.0012005900000000, 0.0009912100000000, 0.0002398900000000 ] - [ -0.0003563400000000, 0.0003625600000000, -0.0009880500000000 ] - [ 0.0006071200000000, 0.0004228900000000, -0.0004435000000000 ] - [ -0.0007220800000000, -0.0033102900000000, 0.0023624700000000 ] - [ 0.0099315200000000, 0.0027831000000000, -0.0002882700000000 ] - [ -0.0004476500000000, -0.0000122200000000, -0.0006231500000000 ] - [ 0.0001515000000000, 0.0000185200000000, -0.0005611400000000 ] - [ -0.0022790300000000, -0.0011827700000000, -0.0002226800000000 ] - [ 0.0045427700000000, -0.0008265500000000, 0.0003182800000000 ] - [ -0.0000957600000000, 0.0003262300000000, -0.0002885800000000 ] - [ 0.0002235800000000, -0.0001938700000000, -0.0008897600000000 ] - [ 0.0004284400000000, -0.0006287600000000, -0.0012982300000000 ] - [ 0.0002880500000000, -0.0004455500000000, -0.0010544200000000 ] - [ -0.0014503300000000, 0.0005358300000000, -0.0002654500000000 ] - [ 0.0078632500000000, 0.0031680200000000, -0.0009258700000000 ] - [ -0.1727593600000000, 0.0182441000000000, 0.0968541400000000 ] - [ 0.0017016300000000, 0.0015113500000000, 0.0010158400000000 ] - [ -0.0000928200000000, -0.0004258200000000, -0.0007315700000000 ] - [ 0.0001618000000000, -0.0006396500000000, -0.0013006200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012326700000000, -0.0071487500000000, -0.0006773700000000 ] - [ -0.0004796300000000, 0.0009016000000000, -0.0004503700000000 ] - [ 0.0006464700000000, 0.0003281900000000, 0.0001751400000000 ] - [ -0.0006804600000000, 0.0003182200000000, 0.0001512900000000 ] - [ 0.0119892400000000, -0.0513046400000000, -0.0505375000000000 ] - [ -0.0003495000000000, 0.0006639400000000, 0.0003326300000000 ] - [ -0.0002297600000000, -0.0001528100000000, 0.0007910000000000 ] - [ 0.0001017500000000, -0.0002625700000000, -0.0002769000000000 ] - [ 0.0000898600000000, -0.0003738800000000, -0.0000135400000000 ] - [ -0.0003971700000000, 0.0000610700000000, 0.0008137800000000 ] - [ -0.0008355500000000, 0.0014934800000000, 0.0009621400000000 ] - [ 0.0004485200000000, 0.0000066900000000, -0.0000930800000000 ] - [ 0.0005053500000000, -0.0013148500000000, -0.0001090300000000 ] - [ -0.0009551100000000, 0.0020218600000000, 0.0001295100000000 ] - [ -0.0003326200000000, -0.0000526800000000, 0.0006116200000000 ] - [ 0.0005299200000000, -0.0001155000000000, -0.0002463300000000 ] - [ 0.0015603900000000, 0.0113279100000000, 0.0046387000000000 ] - [ -0.0008606000000000, -0.0006493200000000, -0.0000187900000000 ] - [ -0.0003120000000000, 0.0002068600000000, 0.0000904700000000 ] - [ 0.0004446700000000, 0.0003287400000000, 0.0003829500000000 ] - [ -0.0000430800000000, -0.0004511400000000, -0.0002235800000000 ] - [ 0.0006017100000000, 0.0062156000000000, -0.0031993900000000 ] - [ -0.0004080800000000, -0.0002829500000000, 0.0001107700000000 ] - [ 0.0002379700000000, -0.0000743500000000, 0.0004156200000000 ] - [ -0.0037889300000000, -0.0014055600000000, 0.0018102700000000 ] - [ 0.0008872800000000, 0.0000025700000000, 0.0004408900000000 ] - [ 0.0010596700000000, 0.0006172400000000, 0.0004443900000000 ] - [ -0.0007043000000000, 0.0001240900000000, 0.0000932500000000 ] - [ 0.0002365000000000, 0.0018399500000000, -0.0002201600000000 ] - [ 0.0004373900000000, -0.0018546000000000, -0.0005728300000000 ] - [ 0.0004832900000000, 0.0004017200000000, 0.0003719900000000 ] - [ -0.0003350200000000, 0.0004902100000000, 0.0000420000000000 ] - [ 0.0000180600000000, -0.0003339300000000, -0.0006907900000000 ] - [ -0.0001404700000000, 0.0001337000000000, 0.0004347500000000 ] - [ 0.0001356000000000, 0.0008136200000000, 0.0009863100000000 ] - [ -0.0002714500000000, -0.0003600000000000, -0.0007440200000000 ] - [ -0.0001551100000000, 0.0006018500000000, 0.0008219100000000 ] - [ 0.0002025900000000, 0.0005807200000000, -0.0004128900000000 ] - [ -0.0001659600000000, -0.0006127200000000, -0.0011492900000000 ] - [ 0.0048667000000000, -0.0056888100000000, -0.0072512000000000 ] - [ -0.0002619000000000, 0.0001375100000000, 0.0000183600000000 ] - [ 0.0002122000000000, 0.0001451000000000, 0.0003479800000000 ] - [ -0.0000745400000000, -0.0001299000000000, -0.0003467700000000 ] - [ -0.0128900500000000, 0.0053447700000000, 0.0130856500000000 ] - [ 0.0004717200000000, -0.0001972500000000, -0.0006957200000000 ] - [ 0.0000842600000000, 0.0012567100000000, -0.0000796700000000 ] - [ 0.0000804500000000, -0.0004696400000000, -0.0001068400000000 ] - [ -0.0001516400000000, -0.0000879600000000, -0.0002037300000000 ] - [ 0.0009985900000000, -0.0002961300000000, -0.0013075200000000 ] - [ -0.0007579600000000, 0.0001131500000000, -0.0000286000000000 ] - [ 0.0000000100000000, 0.0001042200000000, -0.0002233300000000 ] - [ 0.0001354900000000, -0.0001470300000000, -0.0003198700000000 ] - [ -0.0003662400000000, -0.0002180000000000, 0.0000093800000000 ] - [ 0.0008139000000000, 0.0004408800000000, 0.0009022700000000 ] - [ -0.0000168300000000, -0.0003924600000000, -0.0000134500000000 ] - [ 0.0001563000000000, -0.0004340500000000, -0.0000581500000000 ] - [ 0.0029058300000000, -0.0020921300000000, 0.0009248100000000 ] - [ 0.0000478700000000, 0.0033306200000000, 0.0010089600000000 ] - [ 0.0000864800000000, -0.0002098000000000, -0.0001409500000000 ] - [ -0.0001383300000000, -0.0001790600000000, -0.0001249200000000 ] - [ 0.0043206200000000, 0.0110273000000000, 0.0237238600000000 ] - [ -0.0006616000000000, -0.0003761600000000, 0.0001691700000000 ] - [ -0.0007411300000000, -0.0000543800000000, -0.0002420300000000 ] - [ 0.0005463000000000, 0.0001796600000000, -0.0006575700000000 ] - [ 0.0019385800000000, 0.0010537300000000, 0.0016008200000000 ] - [ 0.0000254700000000, -0.0006098400000000, 0.0001312700000000 ] - [ -0.0002298800000000, -0.0001355500000000, -0.0006619000000000 ] - [ 0.0001741000000000, 0.0003033000000000, 0.0002082300000000 ] - [ 0.0007491300000000, -0.0065069000000000, 0.0014910700000000 ] - [ 0.0004190100000000, 0.0000026600000000, -0.0000058700000000 ] - [ -0.0002091700000000, 0.0000644900000000, -0.0002334300000000 ] - [ 0.0002223800000000, 0.0000582000000000, -0.0002686900000000 ] - [ 0.0014560600000000, -0.0088692800000000, 0.0015360200000000 ] - [ 0.0000835100000000, 0.0006242100000000, 0.0000744900000000 ] - [ -0.0000792100000000, 0.0001075800000000, -0.0003286600000000 ] - [ -0.0000696700000000, -0.0002356000000000, -0.0007081700000000 ] - [ -0.0000354100000000, 0.0001007600000000, 0.0004078900000000 ] - [ -0.0004097500000000, -0.0007604400000000, -0.0005968900000000 ] - [ -0.0008419400000000, -0.0013834000000000, -0.0007992300000000 ] - [ 0.0015334200000000, 0.0036271400000000, 0.0021230400000000 ] - [ -0.0132385000000000, 0.0396872400000000, 0.0117235600000000 ] - [ 0.0007384300000000, 0.0000114000000000, 0.0012938400000000 ] - [ -0.0000167000000000, -0.0004896000000000, -0.0002302800000000 ] - [ 0.0001848500000000, -0.0004868200000000, -0.0005628000000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000486400000000, 0.0065127700000000, 0.0006716100000000 ] - [ 0.0017725000000000, -0.0015476500000000, 0.0004335200000000 ] - [ 0.0006579400000000, 0.0003232200000000, -0.0001896200000000 ] - [ -0.0006212100000000, 0.0003323700000000, -0.0001343900000000 ] - [ -0.0126622300000000, 0.0515992600000000, 0.0502250200000000 ] - [ 0.0000235000000000, -0.0002497600000000, 0.0007128300000000 ] - [ -0.0001065400000000, -0.0002557300000000, 0.0002617300000000 ] - [ 0.0002320000000000, -0.0001476800000000, -0.0007771600000000 ] - [ 0.0006714200000000, 0.0002260700000000, -0.0009086800000000 ] - [ -0.0003432700000000, -0.0001997100000000, 0.0001386000000000 ] - [ 0.0000952300000000, -0.0013547300000000, -0.0000405500000000 ] - [ 0.0003018500000000, 0.0001378900000000, -0.0008642600000000 ] - [ 0.0001974400000000, 0.0014986000000000, -0.0007310900000000 ] - [ 0.0002670600000000, -0.0018478000000000, 0.0006915200000000 ] - [ -0.0003765600000000, -0.0001397000000000, 0.0002338400000000 ] - [ 0.0001691300000000, -0.0000633000000000, -0.0005841400000000 ] - [ -0.0006968600000000, -0.0120360900000000, -0.0042705700000000 ] - [ -0.0000308500000000, -0.0000144400000000, -0.0004071900000000 ] - [ -0.0005761300000000, 0.0004345600000000, -0.0005195200000000 ] - [ 0.0004501300000000, 0.0003148400000000, 0.0000426300000000 ] - [ -0.0001339800000000, -0.0006046500000000, 0.0002357800000000 ] - [ 0.0000179000000000, -0.0058872900000000, 0.0035378500000000 ] - [ -0.0002233100000000, -0.0000247500000000, -0.0004628200000000 ] - [ 0.0003960400000000, -0.0002343100000000, -0.0000674900000000 ] - [ 0.0022689400000000, 0.0005648200000000, -0.0023187100000000 ] - [ 0.0006570200000000, -0.0008480900000000, 0.0000559400000000 ] - [ 0.0004844400000000, 0.0002114700000000, 0.0000329200000000 ] - [ -0.0008516400000000, 0.0007239700000000, -0.0005838100000000 ] - [ -0.0010300700000000, -0.0027270600000000, -0.0000618900000000 ] - [ 0.0003696300000000, 0.0009761000000000, 0.0008943700000000 ] - [ 0.0003106400000000, 0.0004832900000000, -0.0000601400000000 ] - [ -0.0004618500000000, 0.0003969900000000, -0.0003441700000000 ] - [ 0.0001998400000000, 0.0002942200000000, -0.0003024200000000 ] - [ -0.0000529200000000, -0.0001871700000000, 0.0005612700000000 ] - [ -0.0003464500000000, -0.0007710700000000, -0.0000009100000000 ] - [ 0.0004750200000000, 0.0004140000000000, -0.0002498600000000 ] - [ -0.0001491400000000, 0.0006091100000000, 0.0005289400000000 ] - [ 0.0001209900000000, 0.0006441700000000, -0.0009384300000000 ] - [ 0.0004708500000000, -0.0005977500000000, -0.0002027300000000 ] - [ -0.0051897500000000, 0.0045047600000000, 0.0086112300000000 ] - [ -0.0001825200000000, 0.0001804400000000, -0.0003519400000000 ] - [ 0.0002327500000000, 0.0001650800000000, -0.0000231200000000 ] - [ 0.0005240200000000, -0.0001687500000000, 0.0006652700000000 ] - [ 0.0122920800000000, -0.0055843400000000, -0.0132126200000000 ] - [ -0.0006156400000000, 0.0012576600000000, 0.0007297500000000 ] - [ 0.0000719100000000, -0.0002019200000000, 0.0000539700000000 ] - [ 0.0000717500000000, -0.0005913300000000, 0.0000721100000000 ] - [ -0.0004737300000000, 0.0003983200000000, -0.0001415100000000 ] - [ -0.0009897600000000, 0.0002290300000000, 0.0013249900000000 ] - [ 0.0007536800000000, -0.0001856200000000, 0.0000057000000000 ] - [ -0.0000104900000000, -0.0000299400000000, 0.0002088400000000 ] - [ -0.0001274800000000, 0.0002114200000000, 0.0003397900000000 ] - [ 0.0005020700000000, 0.0009851100000000, -0.0001490800000000 ] - [ -0.0009450100000000, 0.0003465800000000, -0.0007606100000000 ] - [ -0.0001233800000000, -0.0003867200000000, 0.0001589800000000 ] - [ -0.0000195000000000, -0.0003424600000000, -0.0000836000000000 ] - [ -0.0031345600000000, 0.0024539500000000, -0.0009049900000000 ] - [ 0.0003529300000000, -0.0027612200000000, -0.0009342700000000 ] - [ 0.0001429200000000, -0.0001796300000000, 0.0001237000000000 ] - [ -0.0000892600000000, -0.0002070500000000, 0.0001442000000000 ] - [ -0.0031842400000000, -0.0110905700000000, -0.0248787500000000 ] - [ -0.0004815200000000, 0.0001233900000000, 0.0005407500000000 ] - [ -0.0003996100000000, 0.0003070500000000, 0.0009749100000000 ] - [ 0.0005909000000000, 0.0000813000000000, -0.0000527100000000 ] - [ -0.0013865600000000, -0.0013740500000000, -0.0010720400000000 ] - [ -0.0005732500000000, 0.0002915300000000, -0.0006435100000000 ] - [ -0.0003015100000000, 0.0004541800000000, 0.0001469600000000 ] - [ 0.0003623000000000, 0.0000206000000000, 0.0003075200000000 ] - [ -0.0003086900000000, 0.0063761500000000, -0.0015675400000000 ] - [ -0.0008845300000000, -0.0001521700000000, 0.0000679700000000 ] - [ -0.0002139000000000, 0.0000600300000000, 0.0002953600000000 ] - [ 0.0001988500000000, 0.0000657600000000, 0.0002100700000000 ] - [ -0.0017536500000000, 0.0091215000000000, -0.0019068000000000 ] - [ 0.0001836400000000, -0.0003645600000000, 0.0003314800000000 ] - [ 0.0003616100000000, -0.0003583200000000, 0.0007101700000000 ] - [ -0.0001991500000000, -0.0000114800000000, 0.0003034600000000 ] - [ 0.0004826800000000, -0.0009156700000000, 0.0005375000000000 ] - [ -0.0000336500000000, -0.0000551400000000, -0.0003328300000000 ] - [ 0.0004014400000000, 0.0021947200000000, -0.0001636400000000 ] - [ -0.0011162300000000, -0.0028128300000000, -0.0011850800000000 ] - [ 0.0143100600000000, -0.0389133700000000, -0.0126516900000000 ] - [ -0.0009195600000000, 0.0010342500000000, -0.0008838800000000 ] - [ -0.0001609200000000, -0.0005671100000000, 0.0006375500000000 ] - [ -0.0000126800000000, -0.0005675200000000, 0.0001601200000000 ]- atom: 5 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ -0.0122306300000000, -0.0018511700000000, -0.0074831800000000 ] - [ -0.0019720800000000, 0.0006983800000000, -0.0023791300000000 ] - [ 0.0008648900000000, 0.0003107900000000, 0.0013045800000000 ] - [ -0.0004148400000000, 0.0003659800000000, 0.0013946900000000 ] - [ 0.1984704500000000, -0.0498203000000000, -0.2245749900000000 ] - [ -0.0004511600000000, 0.0002900800000000, -0.0011319900000000 ] - [ -0.0006472100000000, 0.0000393700000000, 0.0022455200000000 ] - [ -0.0004050300000000, -0.0004692600000000, 0.0014754500000000 ] - [ 0.0034635600000000, 0.0007505000000000, 0.0093307800000000 ] - [ -0.0005907800000000, -0.0000523000000000, 0.0016807600000000 ] - [ -0.0005706500000000, 0.0008816100000000, 0.0010450700000000 ] - [ 0.0007975600000000, 0.0001165200000000, 0.0010422900000000 ] - [ 0.0038901800000000, 0.0003777900000000, 0.0001361400000000 ] - [ -0.0011499400000000, 0.0009793700000000, -0.0005081400000000 ] - [ -0.0005473700000000, -0.0001964300000000, 0.0014289900000000 ] - [ 0.0017634900000000, 0.0000802900000000, 0.0022623700000000 ] - [ 0.0024787200000000, 0.0091566300000000, 0.0019163000000000 ] - [ -0.0006812100000000, 0.0002945900000000, -0.0000813600000000 ] - [ -0.0005123400000000, 0.0012368900000000, 0.0015931100000000 ] - [ 0.0003049000000000, 0.0004443000000000, 0.0010718500000000 ] - [ -0.0002276500000000, -0.0005950200000000, 0.0022364400000000 ] - [ 0.0023265500000000, 0.0015350800000000, -0.0041459700000000 ] - [ -0.0011489000000000, -0.0007736900000000, 0.0026278900000000 ] - [ -0.0000871800000000, 0.0002060800000000, 0.0015973900000000 ] - [ -0.0122539900000000, 0.0004771500000000, 0.0070422200000000 ] - [ 0.0015303800000000, -0.0005855600000000, 0.0004346100000000 ] - [ 0.0011458800000000, 0.0007853900000000, 0.0008032900000000 ] - [ -0.0012706600000000, 0.0004038100000000, 0.0014256600000000 ] - [ 0.0007622000000000, 0.0000674700000000, -0.0013631900000000 ] - [ -0.0077028400000000, -0.0004251300000000, -0.0039416000000000 ] - [ 0.0007448600000000, 0.0006786100000000, 0.0030170000000000 ] - [ -0.0000921000000000, 0.0003361700000000, 0.0013920700000000 ] - [ -0.0002318300000000, 0.0002716000000000, 0.0025492300000000 ] - [ -0.0006544200000000, -0.0000444000000000, 0.0010657300000000 ] - [ 0.0000927300000000, 0.0002648600000000, 0.0016627700000000 ] - [ -0.0027058000000000, -0.0005532300000000, -0.0007343600000000 ] - [ -0.0000270100000000, 0.0010411900000000, 0.0024764200000000 ] - [ 0.0005275600000000, -0.0000063200000000, 0.0011965800000000 ] - [ -0.0011044700000000, -0.0015388300000000, -0.0033636100000000 ] - [ -0.0099104800000000, -0.0078398000000000, 0.0172553600000000 ] - [ -0.0003192600000000, 0.0001258700000000, 0.0011791600000000 ] - [ 0.0001949000000000, 0.0001912400000000, 0.0014879200000000 ] - [ -0.0010459500000000, -0.0003622500000000, -0.0019249600000000 ] - [ -0.0099446200000000, 0.0164785100000000, 0.0072972200000000 ] - [ -0.0026573500000000, -0.0017632500000000, 0.0003553900000000 ] - [ 0.0010811500000000, -0.0007928300000000, 0.0007609300000000 ] - [ 0.0002608200000000, -0.0010904400000000, 0.0004203700000000 ] - [ -0.0013585100000000, -0.0000028100000000, -0.0007968500000000 ] - [ 0.0015513000000000, -0.0010753700000000, -0.0018354700000000 ] - [ -0.0009958700000000, -0.0000563800000000, 0.0015729600000000 ] - [ -0.0001654300000000, -0.0001080800000000, -0.0010582600000000 ] - [ 0.0002988200000000, -0.0008636200000000, -0.0015036300000000 ] - [ 0.0020306400000000, 0.0022474700000000, -0.0010615900000000 ] - [ -0.0012067500000000, 0.0005448800000000, 0.0020944900000000 ] - [ -0.0002642900000000, -0.0002976300000000, -0.0010312100000000 ] - [ 0.0002835900000000, 0.0000325500000000, -0.0011011400000000 ] - [ 0.0001884800000000, -0.0014707000000000, 0.0038932900000000 ] - [ -0.0011889800000000, 0.0009465400000000, 0.0043678300000000 ] - [ 0.0001273400000000, -0.0003325300000000, -0.0012816700000000 ] - [ -0.0001428400000000, -0.0001102800000000, -0.0011215300000000 ] - [ 0.0037031200000000, 0.0136267400000000, 0.0441472300000000 ] - [ -0.0009353500000000, -0.0008397600000000, 0.0008975200000000 ] - [ -0.0011053100000000, -0.0007877100000000, -0.0012829400000000 ] - [ 0.0009301200000000, 0.0001357500000000, -0.0023743300000000 ] - [ -0.0059463000000000, -0.0001645300000000, -0.0052560800000000 ] - [ 0.0019141900000000, 0.0011829100000000, 0.0010324900000000 ] - [ -0.0004984800000000, 0.0005756400000000, -0.0024576400000000 ] - [ -0.0004415800000000, 0.0008496500000000, -0.0010131900000000 ] - [ -0.0003655500000000, -0.0059224400000000, 0.0071518700000000 ] - [ 0.0066956000000000, 0.0007183200000000, 0.0027049900000000 ] - [ -0.0006040100000000, -0.0002389500000000, -0.0026541000000000 ] - [ 0.0000828200000000, 0.0000744900000000, -0.0017592100000000 ] - [ 0.0016580600000000, -0.0051912600000000, 0.0009673300000000 ] - [ -0.0008018400000000, 0.0000926900000000, -0.0007700300000000 ] - [ 0.0015872600000000, -0.0005217800000000, -0.0072215500000000 ] - [ 0.0004623900000000, -0.0005124700000000, -0.0024168200000000 ] - [ 0.0010472300000000, -0.0007102100000000, -0.0044976100000000 ] - [ -0.0002714800000000, -0.0004199600000000, -0.0023152800000000 ] - [ -0.0015258800000000, 0.0014578300000000, -0.0008148600000000 ] - [ 0.0107058200000000, 0.0057557800000000, 0.0034209200000000 ] - [ -0.1673169500000000, 0.0209093800000000, 0.1400834400000000 ] - [ 0.0019913700000000, 0.0012034600000000, 0.0050428800000000 ] - [ 0.0002493300000000, -0.0000677200000000, -0.0029420400000000 ] - [ 0.0004849200000000, -0.0007857700000000, -0.0033892700000000 ]- atom: 5 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ 0.0108095500000000, 0.0012015700000000, 0.0073116700000000 ] - [ 0.0032518300000000, -0.0013328200000000, 0.0023841700000000 ] - [ 0.0004236700000000, 0.0003285500000000, -0.0012871900000000 ] - [ -0.0008713300000000, 0.0002741300000000, -0.0014009100000000 ] - [ -0.1870398800000000, 0.0500266200000000, 0.2195302200000000 ] - [ 0.0001018000000000, 0.0001415000000000, 0.0021512000000000 ] - [ 0.0002983200000000, -0.0004724900000000, -0.0012073200000000 ] - [ 0.0007387000000000, 0.0000357200000000, -0.0024950300000000 ] - [ -0.0027567300000000, -0.0008786500000000, -0.0102618200000000 ] - [ -0.0001369900000000, -0.0000612200000000, -0.0007465100000000 ] - [ -0.0001654800000000, -0.0007520700000000, -0.0000932800000000 ] - [ -0.0000792000000000, -0.0000045100000000, -0.0019735400000000 ] - [ -0.0031909000000000, -0.0001698200000000, -0.0010365700000000 ] - [ 0.0004510500000000, -0.0007613800000000, 0.0013905100000000 ] - [ -0.0001530800000000, -0.0000032500000000, -0.0005628200000000 ] - [ -0.0010743800000000, -0.0002837000000000, -0.0031270300000000 ] - [ -0.0016177100000000, -0.0097489900000000, -0.0014812900000000 ] - [ -0.0002085900000000, -0.0009409000000000, -0.0003370900000000 ] - [ -0.0003626500000000, -0.0005943500000000, -0.0019995500000000 ] - [ 0.0005761300000000, 0.0002013300000000, -0.0006524200000000 ] - [ 0.0000341500000000, -0.0004650600000000, -0.0022022200000000 ] - [ -0.0017033600000000, -0.0012967300000000, 0.0044600700000000 ] - [ 0.0005289900000000, 0.0005201800000000, -0.0029370400000000 ] - [ 0.0007010700000000, -0.0004463100000000, -0.0012749200000000 ] - [ 0.0107954100000000, -0.0014156700000000, -0.0076333200000000 ] - [ 0.0000087500000000, -0.0002944300000000, 0.0000625500000000 ] - [ 0.0003976000000000, 0.0000991900000000, -0.0002939500000000 ] - [ -0.0002728500000000, 0.0004851300000000, -0.0019228400000000 ] - [ -0.0015171700000000, -0.0009437000000000, 0.0010557500000000 ] - [ 0.0085208500000000, -0.0004562200000000, 0.0042504900000000 ] - [ 0.0000242500000000, 0.0002030100000000, -0.0027024100000000 ] - [ -0.0006695100000000, 0.0005424200000000, -0.0016737900000000 ] - [ 0.0004760900000000, -0.0002840800000000, -0.0035080900000000 ] - [ 0.0003968000000000, 0.0000347400000000, -0.0000752200000000 ] - [ -0.0003377700000000, -0.0002502300000000, -0.0006695300000000 ] - [ 0.0029510800000000, 0.0005631600000000, -0.0002479800000000 ] - [ -0.0002930500000000, 0.0002066700000000, -0.0010812600000000 ] - [ -0.0002074600000000, 0.0012407600000000, -0.0025712600000000 ] - [ 0.0014226400000000, 0.0002982400000000, 0.0019733900000000 ] - [ 0.0093009100000000, 0.0063347500000000, -0.0154050100000000 ] - [ -0.0000934000000000, 0.0001877100000000, -0.0014630000000000 ] - [ 0.0002143700000000, 0.0001189900000000, -0.0011939400000000 ] - [ 0.0014557300000000, 0.0000609000000000, 0.0022084000000000 ] - [ 0.0093232500000000, -0.0163493400000000, -0.0074035600000000 ] - [ 0.0024594600000000, 0.0028276500000000, -0.0003575600000000 ] - [ -0.0008678000000000, 0.0018354400000000, -0.0007667100000000 ] - [ -0.0000601400000000, 0.0000309800000000, -0.0004291700000000 ] - [ 0.0007354200000000, 0.0002567500000000, 0.0004579400000000 ] - [ -0.0015295700000000, 0.0010052800000000, 0.0018537000000000 ] - [ 0.0009724400000000, -0.0000106400000000, -0.0015951000000000 ] - [ 0.0001514400000000, 0.0001717900000000, 0.0010276200000000 ] - [ -0.0002819300000000, 0.0009261900000000, 0.0015199500000000 ] - [ -0.0018727000000000, -0.0014577700000000, 0.0009171500000000 ] - [ 0.0010566100000000, 0.0002384900000000, -0.0019543300000000 ] - [ 0.0001250600000000, -0.0004834300000000, 0.0011689000000000 ] - [ -0.0001423900000000, -0.0008110700000000, 0.0009592800000000 ] - [ -0.0003928000000000, 0.0018381700000000, -0.0038674600000000 ] - [ 0.0014086500000000, -0.0005678400000000, -0.0043843200000000 ] - [ 0.0001014600000000, -0.0000582500000000, 0.0012551300000000 ] - [ -0.0000851500000000, -0.0002780900000000, 0.0011359000000000 ] - [ -0.0030427500000000, -0.0151461100000000, -0.0474567900000000 ] - [ -0.0002101900000000, 0.0005872900000000, -0.0001722100000000 ] - [ -0.0000521000000000, 0.0010336600000000, 0.0019971100000000 ] - [ 0.0002225600000000, 0.0001182900000000, 0.0016485600000000 ] - [ 0.0064056600000000, -0.0001723700000000, 0.0057522600000000 ] - [ -0.0024474500000000, -0.0015124600000000, -0.0015504400000000 ] - [ -0.0000423000000000, -0.0002477200000000, 0.0019265500000000 ] - [ 0.0009787300000000, -0.0005234400000000, 0.0015272800000000 ] - [ 0.0007858700000000, 0.0057492100000000, -0.0071449100000000 ] - [ -0.0071280300000000, -0.0008564900000000, -0.0026375300000000 ] - [ 0.0001626000000000, 0.0003686100000000, 0.0027005500000000 ] - [ 0.0003540400000000, 0.0000576900000000, 0.0016877900000000 ] - [ -0.0018832200000000, 0.0053649900000000, -0.0013747100000000 ] - [ 0.0010782600000000, 0.0001425200000000, 0.0011759700000000 ] - [ -0.0013284900000000, 0.0002976600000000, 0.0075669900000000 ] - [ -0.0007096200000000, 0.0002815200000000, 0.0020039600000000 ] - [ -0.0006035500000000, -0.0001055100000000, 0.0054012200000000 ] - [ -0.0001683900000000, -0.0003936100000000, 0.0013660700000000 ] - [ 0.0010725500000000, -0.0006405000000000, -0.0001125100000000 ] - [ -0.0102675700000000, -0.0049202500000000, -0.0024696200000000 ] - [ 0.1574881900000000, -0.0184396800000000, -0.1343262400000000 ] - [ -0.0021701800000000, -0.0001548700000000, -0.0046088300000000 ] - [ -0.0004384900000000, -0.0009826400000000, 0.0033286800000000 ] - [ -0.0002856700000000, -0.0002687900000000, 0.0029731800000000 ]- atom: 9 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ -0.0016614600000000, -0.0003066300000000, -0.0021330800000000 ] - [ 0.0003901300000000, -0.0002792700000000, -0.0000511200000000 ] - [ 0.0012348400000000, 0.0004012000000000, -0.0001402200000000 ] - [ 0.0004448000000000, 0.0001940300000000, 0.0001187200000000 ] - [ -0.0007220100000000, -0.0000881100000000, 0.0025513900000000 ] - [ 0.0000282300000000, 0.0002360900000000, 0.0003713100000000 ] - [ -0.0006158800000000, -0.0006733700000000, 0.0000350700000000 ] - [ 0.0010238700000000, -0.0002841100000000, 0.0004727400000000 ] - [ -0.0803017300000000, 0.0375395200000000, -0.0115058200000000 ] - [ -0.0003977500000000, -0.0000716000000000, 0.0006557800000000 ] - [ -0.0004737400000000, -0.0001334900000000, 0.0004808800000000 ] - [ 0.0004942100000000, 0.0000606800000000, -0.0001570300000000 ] - [ 0.0005900600000000, 0.0000864400000000, -0.0001717800000000 ] - [ 0.0000475200000000, -0.0002387500000000, 0.0004976600000000 ] - [ -0.0005518900000000, -0.0001153400000000, 0.0005648800000000 ] - [ 0.0010127700000000, 0.0024903700000000, 0.0166794300000000 ] - [ -0.0003604600000000, -0.0042520900000000, 0.0014102500000000 ] - [ -0.0003779200000000, -0.0003128900000000, -0.0001440900000000 ] - [ -0.0050361300000000, -0.0053433700000000, -0.0075714700000000 ] - [ 0.0004933700000000, 0.0002178000000000, 0.0003741300000000 ] - [ -0.0001812300000000, -0.0004942400000000, 0.0000751400000000 ] - [ -0.0004841500000000, -0.0008264200000000, 0.0004916800000000 ] - [ -0.0035588800000000, 0.0003139400000000, -0.0092544700000000 ] - [ 0.0003728900000000, -0.0000670200000000, 0.0004100100000000 ] - [ 0.0107468400000000, -0.0002505200000000, 0.0015389600000000 ] - [ 0.0008849700000000, -0.0004480300000000, 0.0003107900000000 ] - [ 0.0001611000000000, 0.0007774100000000, 0.0006731700000000 ] - [ -0.0009346900000000, 0.0004508800000000, -0.0001146500000000 ] - [ -0.0003686700000000, -0.0004790100000000, 0.0001302700000000 ] - [ 0.0018646500000000, -0.0000765700000000, 0.0004580700000000 ] - [ -0.0002376700000000, 0.0002566900000000, 0.0002115200000000 ] - [ 0.0002269600000000, -0.0000420900000000, 0.0007047500000000 ] - [ -0.0000469100000000, -0.0000388700000000, -0.0002671000000000 ] - [ 0.0013505800000000, -0.0005313000000000, -0.0000871100000000 ] - [ -0.0001868900000000, 0.0000277200000000, 0.0005957300000000 ] - [ 0.0081285400000000, 0.0002296300000000, -0.0030740200000000 ] - [ 0.0013432200000000, 0.0006844300000000, 0.0012390700000000 ] - [ 0.0001395800000000, 0.0008068800000000, -0.0008425700000000 ] - [ 0.0005441700000000, -0.0008169100000000, -0.0010454000000000 ] - [ -0.0007933300000000, -0.0007041000000000, 0.0009821300000000 ] - [ 0.0006575600000000, 0.0004186100000000, -0.0000257900000000 ] - [ 0.0003607300000000, 0.0007369900000000, -0.0005006000000000 ] - [ 0.0005495600000000, -0.0000430000000000, -0.0002080500000000 ] - [ -0.0007786500000000, -0.0000486800000000, 0.0000358400000000 ] - [ 0.0024320400000000, 0.0011452100000000, 0.0000107100000000 ] - [ 0.0001175500000000, 0.0005729600000000, 0.0000845800000000 ] - [ 0.0018589000000000, -0.0035825300000000, 0.0008499800000000 ] - [ -0.0002046300000000, 0.0001280800000000, -0.0001847000000000 ] - [ 0.0000702600000000, -0.0000289900000000, -0.0000637600000000 ] - [ -0.0002707700000000, -0.0026280100000000, 0.0021006000000000 ] - [ -0.0001269600000000, 0.0000978200000000, 0.0000104400000000 ] - [ -0.0010429000000000, 0.0006709600000000, 0.0005558600000000 ] - [ 0.0001435200000000, 0.0004061800000000, -0.0001212500000000 ] - [ 0.0033228300000000, -0.0013477500000000, -0.0003186800000000 ] - [ -0.0001837100000000, -0.0004334500000000, 0.0000240100000000 ] - [ -0.0011220000000000, -0.0010965400000000, 0.0004600600000000 ] - [ -0.0004061500000000, 0.0004237500000000, -0.0004316600000000 ] - [ -0.0001092500000000, 0.0000326300000000, -0.0002559500000000 ] - [ 0.0005664100000000, -0.0013239300000000, -0.0010086700000000 ] - [ 0.0004165700000000, 0.0004350900000000, -0.0006125400000000 ] - [ 0.0354262800000000, -0.0186372500000000, 0.0251712400000000 ] - [ -0.0006777500000000, -0.0001661000000000, 0.0002858700000000 ] - [ 0.0021093600000000, 0.0015785200000000, -0.0003260800000000 ] - [ 0.0005709600000000, 0.0003043000000000, -0.0009729300000000 ] - [ 0.0002192200000000, -0.0001817300000000, -0.0000518000000000 ] - [ -0.0013806200000000, -0.0004568700000000, 0.0002360900000000 ] - [ 0.0000151000000000, 0.0001013800000000, -0.0002669600000000 ] - [ -0.0062326500000000, 0.0022935300000000, -0.0003445400000000 ] - [ 0.0004887400000000, -0.0000273800000000, -0.0003750300000000 ] - [ -0.0008897300000000, -0.0000084800000000, 0.0003653100000000 ] - [ -0.0005984900000000, 0.0008612700000000, 0.0022473100000000 ] - [ -0.0006446900000000, -0.0000645100000000, -0.0003142700000000 ] - [ -0.0007856800000000, 0.0016628000000000, -0.0002131100000000 ] - [ -0.0001260300000000, 0.0001874000000000, -0.0001214600000000 ] - [ 0.0415153900000000, -0.0067715500000000, -0.0191435400000000 ] - [ 0.0000214300000000, -0.0001459100000000, -0.0005486700000000 ] - [ 0.0003608900000000, -0.0005085700000000, 0.0002183200000000 ] - [ -0.0022564500000000, 0.0018138600000000, -0.0011467700000000 ] - [ -0.0002823300000000, 0.0004376800000000, -0.0007773100000000 ] - [ -0.0089144400000000, -0.0035507500000000, 0.0007256600000000 ] - [ 0.0041230700000000, 0.0002764000000000, -0.0006972600000000 ] - [ 0.0000196600000000, 0.0005015400000000, 0.0007745200000000 ] - [ -0.0004804700000000, -0.0010273700000000, 0.0005173700000000 ] - [ -0.0020836100000000, -0.0009072700000000, -0.0011159600000000 ]- atom: 9 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ 0.0003546700000000, -0.0003441100000000, 0.0021585300000000 ] - [ 0.0009061000000000, -0.0003690200000000, 0.0000330500000000 ] - [ 0.0000571300000000, 0.0002476000000000, 0.0001213000000000 ] - [ -0.0017538500000000, 0.0004534800000000, -0.0001036300000000 ] - [ 0.0010602800000000, 0.0004936900000000, -0.0035852700000000 ] - [ -0.0003500300000000, 0.0001815500000000, 0.0006736200000000 ] - [ 0.0002801900000000, 0.0002558800000000, 0.0010093100000000 ] - [ -0.0006956800000000, -0.0001375600000000, -0.0015118700000000 ] - [ 0.0806693400000000, -0.0369243000000000, 0.0081059700000000 ] - [ -0.0003470400000000, -0.0000657400000000, 0.0003012600000000 ] - [ -0.0002747900000000, 0.0002769200000000, 0.0004625100000000 ] - [ 0.0002463100000000, 0.0000730100000000, -0.0007831000000000 ] - [ 0.0001122000000000, 0.0001005500000000, -0.0006629900000000 ] - [ -0.0007546900000000, 0.0004329500000000, 0.0003448600000000 ] - [ -0.0001528100000000, -0.0000752700000000, 0.0002793400000000 ] - [ -0.0003379300000000, -0.0027221700000000, -0.0177215300000000 ] - [ 0.0012461100000000, 0.0035972900000000, -0.0009840500000000 ] - [ -0.0005179200000000, -0.0003425100000000, -0.0002748500000000 ] - [ 0.0040790200000000, 0.0059648500000000, 0.0071228000000000 ] - [ 0.0004072600000000, 0.0004406000000000, 0.0000515700000000 ] - [ 0.0000076500000000, -0.0005658400000000, -0.0000481000000000 ] - [ 0.0011163900000000, 0.0011235100000000, -0.0001527600000000 ] - [ 0.0028868800000000, -0.0005716600000000, 0.0088951100000000 ] - [ 0.0002487100000000, -0.0002145300000000, -0.0000678400000000 ] - [ -0.0121875800000000, -0.0006332400000000, -0.0020184900000000 ] - [ 0.0006561700000000, -0.0004008600000000, 0.0001821700000000 ] - [ 0.0013894300000000, 0.0000791600000000, -0.0001893500000000 ] - [ -0.0006034300000000, 0.0003944300000000, -0.0003684900000000 ] - [ -0.0004253200000000, -0.0004071400000000, -0.0004157300000000 ] - [ -0.0010684100000000, -0.0008099900000000, -0.0001479100000000 ] - [ 0.0010303500000000, 0.0006271100000000, 0.0001005200000000 ] - [ -0.0010199300000000, 0.0009323700000000, -0.0010097900000000 ] - [ 0.0002561600000000, -0.0000046400000000, -0.0007197000000000 ] - [ -0.0015735000000000, 0.0005000400000000, 0.0010702300000000 ] - [ -0.0000220100000000, 0.0000145700000000, 0.0003987800000000 ] - [ -0.0079431400000000, -0.0001928100000000, 0.0020902100000000 ] - [ -0.0016675700000000, 0.0005473100000000, 0.0001141700000000 ] - [ 0.0001787000000000, 0.0004257500000000, -0.0005210700000000 ] - [ -0.0002319400000000, -0.0003997000000000, -0.0003087300000000 ] - [ 0.0004858500000000, -0.0005192300000000, 0.0003835200000000 ] - [ -0.0010931300000000, -0.0001087400000000, -0.0002965300000000 ] - [ 0.0000722300000000, -0.0004238200000000, 0.0008313300000000 ] - [ -0.0001146800000000, -0.0002688800000000, 0.0005368000000000 ] - [ 0.0003449400000000, -0.0002658600000000, -0.0003584800000000 ] - [ -0.0026035800000000, -0.0000677300000000, 0.0000157800000000 ] - [ 0.0000531800000000, 0.0004944100000000, -0.0001037700000000 ] - [ -0.0016841200000000, 0.0025436400000000, -0.0008846500000000 ] - [ -0.0004252400000000, 0.0001644200000000, -0.0001546600000000 ] - [ -0.0000614200000000, -0.0000324000000000, 0.0000823000000000 ] - [ 0.0002148900000000, 0.0025197600000000, -0.0020974300000000 ] - [ 0.0001205100000000, -0.0000371900000000, -0.0000377700000000 ] - [ 0.0010623200000000, -0.0006025400000000, -0.0005240800000000 ] - [ -0.0000037900000000, 0.0003700200000000, -0.0000239700000000 ] - [ -0.0035348400000000, 0.0022682700000000, 0.0005703900000000 ] - [ 0.0000464700000000, -0.0003455600000000, 0.0001177600000000 ] - [ 0.0012652200000000, 0.0003144400000000, -0.0005896000000000 ] - [ 0.0001815600000000, -0.0000333200000000, 0.0004485400000000 ] - [ 0.0003392300000000, 0.0003543100000000, 0.0002336800000000 ] - [ -0.0003419300000000, 0.0009287900000000, 0.0009853000000000 ] - [ -0.0006477200000000, -0.0008209500000000, 0.0006305500000000 ] - [ -0.0334006000000000, 0.0174308000000000, -0.0245203800000000 ] - [ -0.0004618100000000, -0.0000912700000000, 0.0004212200000000 ] - [ -0.0032678500000000, -0.0013460800000000, 0.0010588300000000 ] - [ 0.0005665300000000, -0.0000468700000000, 0.0002530600000000 ] - [ 0.0003161300000000, -0.0001418400000000, 0.0005624300000000 ] - [ 0.0008431700000000, 0.0001237000000000, -0.0007523600000000 ] - [ -0.0005513000000000, 0.0002195400000000, -0.0002558600000000 ] - [ 0.0067772900000000, -0.0019733800000000, 0.0009060700000000 ] - [ -0.0000671600000000, -0.0000969600000000, 0.0003149300000000 ] - [ 0.0004643000000000, -0.0001125600000000, -0.0003128700000000 ] - [ 0.0001733500000000, -0.0007414200000000, -0.0022150700000000 ] - [ 0.0010739800000000, 0.0001870500000000, 0.0002551800000000 ] - [ 0.0005221200000000, -0.0014389800000000, -0.0001688900000000 ] - [ 0.0003969600000000, 0.0000564700000000, 0.0005093700000000 ] - [ -0.0415448000000000, 0.0067295300000000, 0.0206688300000000 ] - [ -0.0002894800000000, -0.0001027500000000, 0.0001345200000000 ] - [ 0.0000814600000000, -0.0003051200000000, 0.0007013200000000 ] - [ 0.0018087200000000, -0.0026379700000000, 0.0002210400000000 ] - [ -0.0001613100000000, 0.0003743600000000, -0.0001679600000000 ] - [ 0.0093500600000000, 0.0043396500000000, 0.0001930600000000 ] - [ -0.0039545100000000, 0.0007779500000000, 0.0002747500000000 ] - [ -0.0001964700000000, 0.0005539300000000, -0.0003716800000000 ] - [ 0.0003123800000000, -0.0000267300000000, -0.0001127800000000 ] - [ 0.0022714000000000, -0.0001444600000000, 0.0007181900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007315000000000, -0.0010564900000000, 0.0004288000000000 ] - [ 0.0006374600000000, -0.0001648000000000, -0.0000025800000000 ] - [ 0.0004121500000000, 0.0010054900000000, 0.0003155500000000 ] - [ -0.0000012500000000, -0.0001732000000000, -0.0003722400000000 ] - [ -0.0001424000000000, -0.0000932800000000, 0.0002304100000000 ] - [ -0.0002140200000000, 0.0003398400000000, 0.0004925000000000 ] - [ -0.0002233200000000, 0.0012094400000000, 0.0014291000000000 ] - [ 0.0003580700000000, -0.0002766800000000, -0.0004791900000000 ] - [ 0.0374534700000000, -0.0654595000000000, -0.0249479900000000 ] - [ -0.0003653200000000, -0.0000540300000000, 0.0004424700000000 ] - [ -0.0005685800000000, 0.0028725600000000, 0.0006931700000000 ] - [ 0.0003745100000000, 0.0000605400000000, -0.0005532300000000 ] - [ 0.0003503200000000, 0.0000947100000000, -0.0004797600000000 ] - [ -0.0014533100000000, 0.0011932800000000, 0.0004405500000000 ] - [ -0.0002952400000000, -0.0000635200000000, 0.0004421300000000 ] - [ 0.0008655300000000, -0.0067274800000000, -0.0008815300000000 ] - [ -0.0024507700000000, 0.0107925600000000, -0.0035444400000000 ] - [ -0.0004634100000000, -0.0003107200000000, -0.0002360400000000 ] - [ -0.0046988400000000, 0.0047263100000000, 0.0139038700000000 ] - [ 0.0004777800000000, 0.0003909100000000, 0.0001872300000000 ] - [ -0.0001213200000000, -0.0006740100000000, -0.0000987300000000 ] - [ 0.0013211400000000, 0.0043942600000000, 0.0011060000000000 ] - [ 0.0024351800000000, -0.0047173100000000, -0.0120542200000000 ] - [ 0.0002737800000000, -0.0001190100000000, 0.0001705800000000 ] - [ -0.0035793700000000, -0.0018537500000000, -0.0012614300000000 ] - [ 0.0007507300000000, -0.0004082700000000, 0.0001876600000000 ] - [ 0.0024186300000000, 0.0024835500000000, 0.0007920100000000 ] - [ -0.0007985600000000, 0.0004624200000000, -0.0003041700000000 ] - [ -0.0003686400000000, -0.0003481900000000, -0.0002845200000000 ] - [ 0.0001938000000000, -0.0008374000000000, 0.0000183800000000 ] - [ 0.0001546600000000, 0.0001083500000000, -0.0002717400000000 ] - [ -0.0004324300000000, 0.0011749300000000, -0.0004649600000000 ] - [ 0.0001323800000000, -0.0000307200000000, -0.0005837600000000 ] - [ -0.0005117000000000, 0.0009592400000000, 0.0006354000000000 ] - [ -0.0000789100000000, 0.0000206100000000, 0.0004447300000000 ] - [ -0.0005943100000000, -0.0011417500000000, -0.0002637200000000 ] - [ 0.0001272500000000, 0.0003198500000000, 0.0005620600000000 ] - [ 0.0001359000000000, 0.0009019100000000, -0.0004251200000000 ] - [ -0.0001244100000000, -0.0001311600000000, -0.0003544600000000 ] - [ -0.0001237400000000, -0.0007349500000000, 0.0007444400000000 ] - [ -0.0005050800000000, -0.0001807800000000, 0.0001130500000000 ] - [ 0.0001585500000000, 0.0013920500000000, -0.0002504800000000 ] - [ 0.0003887800000000, 0.0000909100000000, -0.0001609200000000 ] - [ -0.0001975000000000, -0.0001579000000000, -0.0001546200000000 ] - [ 0.0007239300000000, 0.0000667100000000, 0.0004969500000000 ] - [ 0.0000940800000000, 0.0004854500000000, -0.0000396400000000 ] - [ -0.0021904300000000, 0.0024156100000000, -0.0014867100000000 ] - [ -0.0003268500000000, 0.0000943800000000, -0.0002081300000000 ] - [ 0.0000120200000000, -0.0000608600000000, 0.0000274800000000 ] - [ -0.0018412400000000, 0.0003248800000000, 0.0012065500000000 ] - [ -0.0000464900000000, -0.0000009700000000, 0.0000853400000000 ] - [ 0.0013791300000000, -0.0004077400000000, 0.0002574200000000 ] - [ 0.0000709000000000, 0.0004108300000000, -0.0000285500000000 ] - [ -0.0017958500000000, 0.0040989700000000, 0.0007771400000000 ] - [ -0.0000439400000000, -0.0003049100000000, 0.0000805500000000 ] - [ -0.0010718900000000, -0.0013985100000000, 0.0002826700000000 ] - [ 0.0000857000000000, 0.0002333000000000, 0.0003285400000000 ] - [ 0.0000554200000000, 0.0001568600000000, -0.0000755200000000 ] - [ -0.0003490400000000, -0.0000989800000000, -0.0003601200000000 ] - [ 0.0000479500000000, -0.0003094200000000, 0.0002316400000000 ] - [ -0.0211816000000000, 0.0161357200000000, -0.0173218900000000 ] - [ -0.0005560300000000, -0.0001521000000000, 0.0004177800000000 ] - [ -0.0020277100000000, -0.0051622700000000, 0.0004774400000000 ] - [ 0.0005758200000000, 0.0001038400000000, -0.0003022100000000 ] - [ 0.0002332500000000, -0.0001164900000000, 0.0003259400000000 ] - [ 0.0001966300000000, -0.0007863400000000, -0.0006210000000000 ] - [ -0.0003472700000000, 0.0001775100000000, -0.0003297000000000 ] - [ 0.0015098400000000, 0.0015492200000000, 0.0011656200000000 ] - [ 0.0001840300000000, -0.0004495000000000, -0.0000924800000000 ] - [ -0.0000633400000000, 0.0001698300000000, 0.0001532700000000 ] - [ -0.0002890900000000, 0.0012134600000000, 0.0027311000000000 ] - [ 0.0005275400000000, -0.0000056900000000, -0.0000988900000000 ] - [ 0.0018919100000000, -0.0076183800000000, -0.0018008500000000 ] - [ 0.0001301800000000, 0.0001265300000000, 0.0003127700000000 ] - [ -0.0060410300000000, 0.0428203700000000, 0.0394608200000000 ] - [ -0.0001649500000000, -0.0001872200000000, -0.0001744100000000 ] - [ 0.0002293800000000, -0.0004124200000000, 0.0007284600000000 ] - [ -0.0006774300000000, -0.0044632700000000, -0.0002062600000000 ] - [ -0.0001979000000000, 0.0004213500000000, -0.0002794700000000 ] - [ 0.0011158800000000, 0.0030533100000000, 0.0003240100000000 ] - [ -0.0000952900000000, 0.0008561700000000, -0.0005035100000000 ] - [ -0.0001246600000000, -0.0001760600000000, 0.0001414000000000 ] - [ 0.0003720800000000, -0.0023516900000000, -0.0009948600000000 ] - [ -0.0003797900000000, 0.0002697100000000, -0.0004389000000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005608800000000, 0.0004068100000000, -0.0003975800000000 ] - [ 0.0006610300000000, -0.0004834500000000, -0.0000106700000000 ] - [ 0.0008779500000000, -0.0003612900000000, -0.0003412200000000 ] - [ -0.0012927300000000, 0.0008240700000000, 0.0003978000000000 ] - [ 0.0004778700000000, 0.0005091800000000, -0.0012734100000000 ] - [ -0.0001086900000000, 0.0000790200000000, 0.0005512600000000 ] - [ -0.0001039900000000, -0.0016339100000000, -0.0003964900000000 ] - [ -0.0000320300000000, -0.0001440900000000, -0.0005521800000000 ] - [ -0.0369856200000000, 0.0647364800000000, 0.0227827600000000 ] - [ -0.0003765200000000, -0.0000792300000000, 0.0005094500000000 ] - [ -0.0001677200000000, -0.0027362000000000, 0.0002426700000000 ] - [ 0.0003692700000000, 0.0000713400000000, -0.0003900200000000 ] - [ 0.0003421000000000, 0.0001004400000000, -0.0003770100000000 ] - [ 0.0007665100000000, -0.0010012600000000, 0.0004115100000000 ] - [ -0.0003976400000000, -0.0001269700000000, 0.0004075500000000 ] - [ -0.0001512000000000, 0.0065299800000000, 0.0000633900000000 ] - [ 0.0033626100000000, -0.0115370000000000, 0.0040381900000000 ] - [ -0.0004363700000000, -0.0003463700000000, -0.0001827000000000 ] - [ 0.0038995400000000, -0.0041136800000000, -0.0145425400000000 ] - [ 0.0004237100000000, 0.0002681900000000, 0.0002362900000000 ] - [ -0.0000537300000000, -0.0003864700000000, 0.0001259600000000 ] - [ -0.0007074600000000, -0.0041343400000000, -0.0007501800000000 ] - [ -0.0030187900000000, 0.0044456200000000, 0.0117034300000000 ] - [ 0.0003424800000000, -0.0001461700000000, 0.0001688700000000 ] - [ 0.0020332600000000, 0.0009971400000000, 0.0007631100000000 ] - [ 0.0007929800000000, -0.0004536300000000, 0.0003094700000000 ] - [ -0.0008790700000000, -0.0016170200000000, -0.0003014500000000 ] - [ -0.0007381900000000, 0.0003946000000000, -0.0001864300000000 ] - [ -0.0004227300000000, -0.0005390000000000, -0.0000046200000000 ] - [ 0.0005955900000000, -0.0000521200000000, 0.0002682800000000 ] - [ 0.0006385800000000, 0.0007810700000000, 0.0005783600000000 ] - [ -0.0003606400000000, -0.0002872400000000, 0.0001637300000000 ] - [ 0.0000824100000000, -0.0000024600000000, -0.0003995200000000 ] - [ 0.0002827200000000, -0.0009836400000000, 0.0003474700000000 ] - [ -0.0001443700000000, 0.0000144100000000, 0.0005556100000000 ] - [ 0.0008170600000000, 0.0011673100000000, -0.0007317800000000 ] - [ -0.0004461100000000, 0.0009173900000000, 0.0008086100000000 ] - [ 0.0001769800000000, 0.0003251700000000, -0.0009435000000000 ] - [ 0.0004435600000000, -0.0010990200000000, -0.0010069300000000 ] - [ -0.0001926800000000, -0.0004990500000000, 0.0006257300000000 ] - [ 0.0000792600000000, 0.0004931400000000, -0.0004247200000000 ] - [ 0.0002707700000000, -0.0010907900000000, 0.0005729600000000 ] - [ 0.0000384200000000, -0.0004011700000000, 0.0004794500000000 ] - [ -0.0002303600000000, -0.0001609800000000, -0.0001648100000000 ] - [ -0.0009002900000000, 0.0009731400000000, -0.0004742200000000 ] - [ 0.0000790300000000, 0.0005672300000000, 0.0000161600000000 ] - [ 0.0023547700000000, -0.0034706000000000, 0.0014500600000000 ] - [ -0.0002965900000000, 0.0001828900000000, -0.0001278400000000 ] - [ -0.0000009600000000, -0.0000026600000000, -0.0000089600000000 ] - [ 0.0017947200000000, -0.0004411000000000, -0.0012071400000000 ] - [ 0.0000383900000000, 0.0000642700000000, -0.0001113700000000 ] - [ -0.0013691400000000, 0.0004663400000000, -0.0002318000000000 ] - [ 0.0000684200000000, 0.0003664400000000, -0.0001176800000000 ] - [ 0.0014847200000000, -0.0031821200000000, -0.0004904200000000 ] - [ -0.0000965900000000, -0.0004712300000000, 0.0000566200000000 ] - [ 0.0012081600000000, 0.0006246500000000, -0.0004146000000000 ] - [ -0.0003140400000000, 0.0001537400000000, -0.0003102800000000 ] - [ 0.0001719600000000, 0.0002334000000000, 0.0000537700000000 ] - [ 0.0005775400000000, -0.0003008400000000, 0.0003361500000000 ] - [ -0.0002774000000000, -0.0000729200000000, -0.0002134300000000 ] - [ 0.0227677400000000, -0.0163049300000000, 0.0170349500000000 ] - [ -0.0005837900000000, -0.0001036800000000, 0.0002916100000000 ] - [ 0.0008786200000000, 0.0054131200000000, 0.0002684900000000 ] - [ 0.0005623800000000, 0.0001545600000000, -0.0004182800000000 ] - [ 0.0003038800000000, -0.0002085900000000, 0.0001883900000000 ] - [ -0.0007365200000000, 0.0004660400000000, 0.0001059500000000 ] - [ -0.0001891900000000, 0.0001430000000000, -0.0001928800000000 ] - [ -0.0009824300000000, -0.0012023600000000, -0.0006263400000000 ] - [ 0.0002455900000000, 0.0003275600000000, 0.0000213000000000 ] - [ -0.0003585000000000, -0.0002972000000000, -0.0000957100000000 ] - [ -0.0001318500000000, -0.0010999500000000, -0.0026959700000000 ] - [ -0.0000969500000000, 0.0001282000000000, 0.0000400900000000 ] - [ -0.0021792100000000, 0.0078587700000000, 0.0014104200000000 ] - [ 0.0001327400000000, 0.0001141700000000, 0.0000975500000000 ] - [ 0.0062086800000000, -0.0425023600000000, -0.0383351200000000 ] - [ -0.0000983600000000, -0.0000597500000000, -0.0002470200000000 ] - [ 0.0002176000000000, -0.0003983400000000, 0.0001979900000000 ] - [ 0.0002382800000000, 0.0036467800000000, -0.0007200600000000 ] - [ -0.0002416200000000, 0.0003953900000000, -0.0006677300000000 ] - [ -0.0006640200000000, -0.0022183500000000, 0.0006202100000000 ] - [ 0.0002636900000000, 0.0002034300000000, 0.0000808100000000 ] - [ -0.0000552900000000, 0.0012263100000000, 0.0002601400000000 ] - [ -0.0005495400000000, 0.0013107500000000, 0.0014111900000000 ] - [ 0.0005582000000000, -0.0013280200000000, 0.0000308800000000 ]- atom: 9 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ -0.0025397500000000, -0.0005634800000000, 0.0057309800000000 ] - [ 0.0002069600000000, -0.0003037600000000, 0.0006337300000000 ] - [ -0.0003673400000000, 0.0001804100000000, 0.0001657200000000 ] - [ -0.0025125500000000, 0.0007812000000000, 0.0011365600000000 ] - [ 0.0014488000000000, 0.0007450000000000, 0.0082399400000000 ] - [ -0.0005879700000000, -0.0000988700000000, 0.0016233600000000 ] - [ 0.0000467500000000, 0.0004544500000000, 0.0013263700000000 ] - [ 0.0002620700000000, -0.0005109800000000, 0.0007913700000000 ] - [ 0.0314753000000000, -0.0381931500000000, -0.2536787400000000 ] - [ -0.0001984100000000, -0.0000358200000000, 0.0023553700000000 ] - [ -0.0003095600000000, 0.0003608200000000, -0.0050603900000000 ] - [ 0.0005786900000000, 0.0001415800000000, 0.0018616700000000 ] - [ 0.0008964500000000, 0.0001169700000000, 0.0009057600000000 ] - [ 0.0013332700000000, -0.0005708500000000, -0.0007315900000000 ] - [ 0.0000962900000000, -0.0001451400000000, 0.0013333000000000 ] - [ 0.0105515300000000, 0.0003840700000000, 0.0027944400000000 ] - [ 0.0035838300000000, -0.0090797700000000, -0.0003753900000000 ] - [ -0.0004823800000000, -0.0001115100000000, 0.0008172400000000 ] - [ -0.0034813800000000, 0.0148942200000000, 0.0069188600000000 ] - [ 0.0004053500000000, 0.0002018500000000, 0.0010794200000000 ] - [ 0.0001226000000000, -0.0000035500000000, 0.0016756700000000 ] - [ 0.0013509400000000, 0.0006973400000000, -0.0000068300000000 ] - [ -0.0051739200000000, -0.0031745800000000, 0.0165161700000000 ] - [ -0.0000656600000000, 0.0002021800000000, 0.0011533700000000 ] - [ -0.0015738900000000, -0.0012566200000000, -0.0017251400000000 ] - [ 0.0008449300000000, -0.0006018600000000, 0.0013402600000000 ] - [ 0.0019360600000000, 0.0006959500000000, -0.0019146000000000 ] - [ -0.0004044500000000, 0.0000822100000000, 0.0012353500000000 ] - [ 0.0000673800000000, -0.0002848000000000, 0.0017295100000000 ] - [ 0.0000784100000000, -0.0003450200000000, -0.0005438700000000 ] - [ 0.0012277400000000, 0.0008483100000000, 0.0040554700000000 ] - [ -0.0005805100000000, 0.0007011200000000, -0.0017252100000000 ] - [ -0.0006552700000000, 0.0001619900000000, 0.0019277300000000 ] - [ 0.0005854800000000, 0.0002820600000000, -0.0013559000000000 ] - [ -0.0006915600000000, 0.0001541500000000, 0.0022767300000000 ] - [ -0.0030585000000000, 0.0004926600000000, -0.0027958200000000 ] - [ -0.0007601400000000, 0.0003163500000000, -0.0004604600000000 ] - [ 0.0003333800000000, -0.0000456500000000, 0.0008947900000000 ] - [ -0.0004573800000000, -0.0003446900000000, -0.0008726500000000 ] - [ 0.0002020700000000, -0.0017480100000000, 0.0039940400000000 ] - [ -0.0005973800000000, 0.0005996000000000, -0.0003308100000000 ] - [ -0.0001487500000000, -0.0019210000000000, 0.0023399200000000 ] - [ -0.0004536600000000, -0.0009873900000000, 0.0006804200000000 ] - [ -0.0003120100000000, 0.0014419700000000, 0.0016979600000000 ] - [ -0.0004183700000000, 0.0014615200000000, -0.0014666900000000 ] - [ 0.0002121400000000, 0.0005419700000000, 0.0012335500000000 ] - [ -0.0000680500000000, -0.0002722500000000, -0.0025520900000000 ] - [ -0.0010159500000000, 0.0003715200000000, 0.0015114900000000 ] - [ 0.0002242800000000, -0.0001342200000000, -0.0012422100000000 ] - [ 0.0023845700000000, 0.0033677300000000, 0.0012212300000000 ] - [ 0.0003157300000000, 0.0000638800000000, -0.0012960600000000 ] - [ 0.0016708100000000, -0.0005985600000000, 0.0022163700000000 ] - [ 0.0002305500000000, 0.0006149600000000, -0.0012361000000000 ] - [ -0.0018910600000000, 0.0019420000000000, 0.0037433700000000 ] - [ 0.0001264300000000, -0.0004694800000000, -0.0010914300000000 ] - [ 0.0015824300000000, 0.0009195800000000, 0.0019736800000000 ] - [ -0.0005846600000000, 0.0006560600000000, -0.0005334200000000 ] - [ -0.0006267800000000, -0.0003316500000000, -0.0006294300000000 ] - [ -0.0007038800000000, -0.0012673100000000, -0.0012156200000000 ] - [ -0.0011294800000000, 0.0006415400000000, -0.0007022000000000 ] - [ 0.0031498000000000, -0.0001217600000000, 0.0066955600000000 ] - [ -0.0008274900000000, -0.0002861000000000, -0.0012615100000000 ] - [ -0.0028601700000000, -0.0055094700000000, 0.0049261900000000 ] - [ 0.0001242200000000, 0.0002203800000000, -0.0023337600000000 ] - [ -0.0003901600000000, -0.0003147900000000, -0.0026084200000000 ] - [ -0.0006027200000000, -0.0004671300000000, 0.0018553200000000 ] - [ -0.0006886200000000, -0.0001181000000000, -0.0023553600000000 ] - [ -0.0018134800000000, 0.0014149400000000, 0.0070427900000000 ] - [ 0.0001648800000000, -0.0010453300000000, -0.0014676300000000 ] - [ 0.0021319900000000, 0.0007761100000000, -0.0013986500000000 ] - [ 0.0007625100000000, -0.0011077100000000, -0.0074132100000000 ] - [ 0.0013735300000000, -0.0003827200000000, -0.0004993600000000 ] - [ -0.0046648100000000, 0.0027202900000000, 0.0072186200000000 ] - [ 0.0002554900000000, -0.0003538600000000, -0.0028557300000000 ] - [ -0.0338987700000000, 0.0313797900000000, 0.2036959600000000 ] - [ -0.0000967200000000, -0.0001746800000000, -0.0025864400000000 ] - [ 0.0003515600000000, -0.0003234400000000, -0.0044381600000000 ] - [ -0.0009244000000000, -0.0011494000000000, 0.0020149600000000 ] - [ 0.0000520500000000, 0.0005914100000000, -0.0035070300000000 ] - [ 0.0011557800000000, -0.0002466300000000, 0.0017005100000000 ] - [ 0.0014364000000000, 0.0000450000000000, -0.0078333600000000 ] - [ 0.0006776600000000, 0.0012881500000000, -0.0009576700000000 ] - [ 0.0011118800000000, 0.0015384300000000, -0.0014760800000000 ] - [ 0.0014890200000000, -0.0004906000000000, 0.0002539500000000 ]- atom: 9 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ 0.0012321000000000, -0.0000830100000000, -0.0056836400000000 ] - [ 0.0010904700000000, -0.0003457000000000, -0.0006626100000000 ] - [ 0.0016624800000000, 0.0004702500000000, -0.0001851800000000 ] - [ 0.0012441300000000, -0.0001425500000000, -0.0011209500000000 ] - [ -0.0010934200000000, -0.0003202600000000, -0.0092600900000000 ] - [ 0.0002541800000000, 0.0005191600000000, -0.0005896900000000 ] - [ -0.0003749500000000, -0.0008709500000000, -0.0002868100000000 ] - [ 0.0000739100000000, 0.0000931700000000, -0.0018347000000000 ] - [ -0.0306816700000000, 0.0400926100000000, 0.2648945200000000 ] - [ -0.0005419600000000, -0.0000975800000000, -0.0014124700000000 ] - [ -0.0004321300000000, -0.0002362200000000, 0.0060337000000000 ] - [ 0.0001631700000000, -0.0000096700000000, -0.0028230800000000 ] - [ -0.0002023800000000, 0.0000818200000000, -0.0017752200000000 ] - [ -0.0020294200000000, 0.0007638900000000, 0.0015812100000000 ] - [ -0.0007992800000000, -0.0000478500000000, -0.0004895400000000 ] - [ -0.0100920700000000, -0.0006292600000000, -0.0037509300000000 ] - [ -0.0027061400000000, 0.0085033100000000, 0.0007774400000000 ] - [ -0.0004083400000000, -0.0005444000000000, -0.0012457200000000 ] - [ 0.0026685000000000, -0.0146164900000000, -0.0075057700000000 ] - [ 0.0004874300000000, 0.0004561700000000, -0.0006606700000000 ] - [ -0.0003038300000000, -0.0010562200000000, -0.0016653900000000 ] - [ -0.0007266300000000, -0.0004054800000000, 0.0003472400000000 ] - [ 0.0047259800000000, 0.0030488500000000, -0.0173557000000000 ] - [ 0.0006899100000000, -0.0004782600000000, -0.0008237900000000 ] - [ -0.0000922300000000, 0.0003931700000000, 0.0012365400000000 ] - [ 0.0006918300000000, -0.0002565700000000, -0.0008500200000000 ] - [ -0.0003896700000000, 0.0001685400000000, 0.0024272400000000 ] - [ -0.0011408900000000, 0.0007868700000000, -0.0017424000000000 ] - [ -0.0008619700000000, -0.0006038100000000, -0.0020321900000000 ] - [ 0.0007049900000000, -0.0005466000000000, 0.0008323000000000 ] - [ -0.0004472400000000, 0.0000299800000000, -0.0037795200000000 ] - [ -0.0001997100000000, 0.0001771000000000, 0.0014414400000000 ] - [ 0.0008806800000000, -0.0001893500000000, -0.0029198500000000 ] - [ -0.0008210500000000, -0.0003167700000000, 0.0023680500000000 ] - [ 0.0004614500000000, -0.0001293600000000, -0.0012996400000000 ] - [ 0.0032619400000000, -0.0004767200000000, 0.0018242600000000 ] - [ 0.0004379500000000, 0.0009196200000000, 0.0018302400000000 ] - [ -0.0000148600000000, 0.0012850600000000, -0.0022701000000000 ] - [ 0.0007654100000000, -0.0008801300000000, -0.0004927900000000 ] - [ -0.0005262700000000, 0.0005190300000000, -0.0026483800000000 ] - [ 0.0001669600000000, -0.0002820300000000, 0.0000189600000000 ] - [ 0.0005810600000000, 0.0022523500000000, -0.0020538800000000 ] - [ 0.0008869200000000, 0.0006772300000000, -0.0003663100000000 ] - [ -0.0001179700000000, -0.0017516300000000, -0.0020200100000000 ] - [ 0.0002372200000000, -0.0004115100000000, 0.0015016500000000 ] - [ -0.0000342600000000, 0.0005004000000000, -0.0012622300000000 ] - [ 0.0002588200000000, -0.0007856900000000, 0.0025508000000000 ] - [ 0.0003934500000000, -0.0000930700000000, -0.0018596100000000 ] - [ -0.0002150300000000, 0.0000654200000000, 0.0012667000000000 ] - [ -0.0024533200000000, -0.0034965900000000, -0.0011993900000000 ] - [ -0.0003276600000000, 0.0000060800000000, 0.0012868300000000 ] - [ -0.0016685100000000, 0.0006674000000000, -0.0022205600000000 ] - [ -0.0000910000000000, 0.0001627400000000, 0.0010994900000000 ] - [ 0.0015657800000000, -0.0009123500000000, -0.0034646600000000 ] - [ -0.0002675700000000, -0.0003077900000000, 0.0012394700000000 ] - [ -0.0014540100000000, -0.0017081600000000, -0.0021427000000000 ] - [ 0.0003597400000000, -0.0002693100000000, 0.0005622400000000 ] - [ 0.0008564900000000, 0.0007215000000000, 0.0006170400000000 ] - [ 0.0009365100000000, 0.0008805600000000, 0.0012000700000000 ] - [ 0.0009115500000000, -0.0010341900000000, 0.0007241100000000 ] - [ -0.0020231400000000, -0.0000854900000000, -0.0075362800000000 ] - [ -0.0003093000000000, 0.0000283900000000, 0.0019841500000000 ] - [ 0.0017414900000000, 0.0058000300000000, -0.0042453100000000 ] - [ 0.0010187000000000, 0.0000350500000000, 0.0016282000000000 ] - [ 0.0009285200000000, -0.0000059500000000, 0.0031384600000000 ] - [ 0.0000698400000000, 0.0001494400000000, -0.0023826400000000 ] - [ 0.0001554700000000, 0.0004409700000000, 0.0018507600000000 ] - [ 0.0023485000000000, -0.0011020200000000, -0.0065784800000000 ] - [ 0.0002605800000000, 0.0009195500000000, 0.0014199300000000 ] - [ -0.0025530000000000, -0.0009043600000000, 0.0014687600000000 ] - [ -0.0011938900000000, 0.0012646300000000, 0.0075511200000000 ] - [ -0.0009584100000000, 0.0005124500000000, 0.0004405500000000 ] - [ 0.0044252900000000, -0.0025248800000000, -0.0076475400000000 ] - [ 0.0000147300000000, 0.0005992700000000, 0.0032754200000000 ] - [ 0.0344611600000000, -0.0337435000000000, -0.2147905400000000 ] - [ -0.0001705600000000, -0.0000683700000000, 0.0021945400000000 ] - [ 0.0000908700000000, -0.0004939800000000, 0.0053998800000000 ] - [ 0.0004788700000000, 0.0003386900000000, -0.0029729100000000 ] - [ -0.0004939300000000, 0.0002237500000000, 0.0025870500000000 ] - [ -0.0006710800000000, 0.0011171600000000, -0.0007459000000000 ] - [ -0.0012749000000000, 0.0010072600000000, 0.0074430800000000 ] - [ -0.0008591400000000, -0.0002378500000000, 0.0013787200000000 ] - [ -0.0012937800000000, -0.0026149800000000, 0.0018981800000000 ] - [ -0.0013284500000000, -0.0005620100000000, -0.0006645300000000 ]- atom: 13 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ 0.0041488400000000, 0.0000668500000000, 0.0011442700000000 ] - [ 0.0027178400000000, -0.0007187900000000, -0.0005196800000000 ] - [ 0.0001606600000000, 0.0002410400000000, -0.0001229000000000 ] - [ -0.0016322400000000, 0.0003917800000000, 0.0003296300000000 ] - [ 0.0027298500000000, 0.0003564000000000, 0.0049789100000000 ] - [ -0.0007179100000000, 0.0008110300000000, -0.0007085000000000 ] - [ -0.0000102900000000, -0.0001887900000000, 0.0003859700000000 ] - [ 0.0002032000000000, -0.0003915600000000, 0.0011313800000000 ] - [ 0.0006106600000000, -0.0000647400000000, 0.0002981800000000 ] - [ 0.0000264300000000, 0.0010437800000000, 0.0026459200000000 ] - [ -0.0005682600000000, 0.0001163700000000, 0.0008624400000000 ] - [ 0.0010136500000000, -0.0004542200000000, 0.0118733900000000 ] - [ -0.2966728900000000, -0.0228402600000000, -0.0659247400000000 ] - [ -0.0011052200000000, 0.0001859500000000, 0.0006073200000000 ] - [ 0.0010204300000000, 0.0002038700000000, 0.0008152900000000 ] - [ 0.0008191600000000, -0.0001209800000000, -0.0003429000000000 ] - [ 0.0004316200000000, 0.0001603500000000, 0.0007002900000000 ] - [ 0.0147448800000000, 0.0139808300000000, 0.0053117600000000 ] - [ -0.0004669200000000, 0.0003755000000000, -0.0001237900000000 ] - [ 0.0006040400000000, 0.0014859500000000, 0.0012623500000000 ] - [ 0.0022422600000000, 0.0001346700000000, -0.0001542400000000 ] - [ 0.0003346700000000, -0.0002356900000000, 0.0008207100000000 ] - [ -0.0004351900000000, -0.0001699900000000, -0.0001317000000000 ] - [ -0.0000460600000000, 0.0000706400000000, 0.0010328200000000 ] - [ -0.0018863300000000, -0.0007564300000000, -0.0003627200000000 ] - [ -0.0029109600000000, 0.0005973100000000, -0.0000205100000000 ] - [ 0.0010483400000000, 0.0005064200000000, 0.0002874300000000 ] - [ 0.0035070600000000, -0.0006775000000000, 0.0004805100000000 ] - [ -0.0000230500000000, 0.0002828200000000, 0.0004660700000000 ] - [ -0.0008587000000000, -0.0002211000000000, -0.0033517800000000 ] - [ 0.0019237400000000, 0.0004816500000000, -0.0018689500000000 ] - [ -0.0002749400000000, 0.0004382500000000, 0.0001401400000000 ] - [ 0.0081741200000000, 0.0009174200000000, -0.0097610900000000 ] - [ -0.0001506100000000, -0.0000055500000000, 0.0004697500000000 ] - [ 0.0016585900000000, 0.0008399500000000, -0.0000628700000000 ] - [ 0.0003232400000000, 0.0000199600000000, -0.0010361800000000 ] - [ -0.0003116200000000, 0.0007361300000000, 0.0009681800000000 ] - [ 0.0001048300000000, 0.0008495800000000, -0.0012892700000000 ] - [ 0.0002663900000000, -0.0009715900000000, -0.0013227800000000 ] - [ 0.0118893900000000, 0.0009552300000000, 0.0050513100000000 ] - [ -0.0004201500000000, 0.0000224900000000, 0.0001041000000000 ] - [ 0.0000721100000000, -0.0000316100000000, -0.0001921900000000 ] - [ 0.0007162600000000, -0.0011875100000000, -0.0011724900000000 ] - [ 0.0036627800000000, -0.0024616600000000, 0.0014958300000000 ] - [ -0.0005898000000000, 0.0008245300000000, -0.0004160200000000 ] - [ 0.0007326800000000, 0.0101253900000000, -0.0027133800000000 ] - [ 0.0002467700000000, -0.0005328800000000, 0.0000301600000000 ] - [ 0.0194627800000000, -0.0103354000000000, -0.0027949600000000 ] - [ -0.0037345600000000, -0.0005183000000000, -0.0002651400000000 ] - [ -0.0004909200000000, -0.0001911900000000, 0.0000683900000000 ] - [ 0.0019843400000000, 0.0001594500000000, 0.0010902100000000 ] - [ 0.0001781000000000, 0.0000722400000000, -0.0000721700000000 ] - [ -0.0035095700000000, 0.0012113800000000, -0.0005292400000000 ] - [ -0.0005643200000000, 0.0005481800000000, -0.0000659100000000 ] - [ 0.0019963900000000, 0.0000987800000000, 0.0006923400000000 ] - [ 0.0002579800000000, -0.0004414100000000, -0.0000923400000000 ] - [ 0.0023974500000000, -0.0009970200000000, -0.0010424800000000 ] - [ 0.0034694800000000, 0.0004766000000000, -0.0001511400000000 ] - [ -0.0003241100000000, -0.0003057300000000, -0.0000075500000000 ] - [ -0.0004872500000000, -0.0001040500000000, -0.0001280000000000 ] - [ 0.0010445200000000, -0.0009345800000000, -0.0025855100000000 ] - [ 0.0049776200000000, -0.0065235200000000, -0.0008697700000000 ] - [ -0.0008052600000000, 0.0001286000000000, 0.0002607800000000 ] - [ -0.0033123800000000, -0.0019368000000000, -0.0041596400000000 ] - [ 0.0349611700000000, 0.0166518100000000, -0.0180043400000000 ] - [ 0.0004337900000000, -0.0003125600000000, -0.0000217400000000 ] - [ -0.0015031700000000, -0.0003656400000000, 0.0008585500000000 ] - [ -0.0000788300000000, 0.0001583800000000, 0.0002645100000000 ] - [ -0.0018504900000000, 0.0014319900000000, -0.0008616900000000 ] - [ -0.0035072300000000, -0.0009358300000000, 0.0085406500000000 ] - [ 0.0007097300000000, 0.0002129700000000, 0.0006822400000000 ] - [ 0.0005304600000000, 0.0001884100000000, -0.0006309400000000 ] - [ 0.0007733800000000, 0.0000868000000000, -0.0008723700000000 ] - [ 0.2093349100000000, -0.0020006700000000, 0.0763142400000000 ] - [ 0.0000229100000000, -0.0002213800000000, -0.0002817700000000 ] - [ -0.0011357300000000, -0.0008702500000000, -0.0027952000000000 ] - [ -0.0090369500000000, -0.0002646700000000, 0.0021207100000000 ] - [ -0.0004753100000000, -0.0004919100000000, -0.0006779100000000 ] - [ -0.0022410000000000, -0.0042187500000000, -0.0017447500000000 ] - [ 0.0014308500000000, 0.0007538800000000, 0.0023954900000000 ] - [ -0.0078540000000000, 0.0039493300000000, -0.0080304800000000 ] - [ -0.0015562300000000, 0.0016981400000000, 0.0016272500000000 ] - [ 0.0001808500000000, -0.0006062300000000, 0.0009034900000000 ] - [ 0.0012672500000000, -0.0004423600000000, -0.0012292000000000 ]- atom: 13 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ -0.0054407900000000, -0.0007163400000000, -0.0011357500000000 ] - [ -0.0014045300000000, 0.0000641300000000, 0.0004922300000000 ] - [ 0.0011446800000000, 0.0004091700000000, 0.0001054200000000 ] - [ 0.0003350900000000, 0.0002571100000000, -0.0003127700000000 ] - [ -0.0024056600000000, 0.0000484000000000, -0.0060774800000000 ] - [ 0.0003793600000000, -0.0003976200000000, 0.0017545300000000 ] - [ -0.0003268100000000, -0.0002245400000000, 0.0006633900000000 ] - [ 0.0001266200000000, -0.0000202300000000, -0.0021854600000000 ] - [ 0.0001360400000000, -0.0000771500000000, -0.0012485700000000 ] - [ -0.0007765900000000, -0.0011776400000000, -0.0016743000000000 ] - [ -0.0001784600000000, 0.0000270700000000, 0.0000856000000000 ] - [ -0.0003241700000000, 0.0005700300000000, -0.0126290700000000 ] - [ 0.2876444200000000, 0.0248349600000000, 0.0576839300000000 ] - [ 0.0003988000000000, 0.0000047700000000, 0.0002372100000000 ] - [ -0.0017174300000000, -0.0003849600000000, 0.0000177700000000 ] - [ -0.0001080100000000, -0.0000729100000000, -0.0005042100000000 ] - [ 0.0004616300000000, -0.0008040600000000, -0.0002748300000000 ] - [ -0.0152615400000000, -0.0142307100000000, -0.0056146500000000 ] - [ -0.0004259900000000, 0.0002736800000000, -0.0003013200000000 ] - [ 0.0002885600000000, -0.0008477200000000, -0.0008330500000000 ] - [ -0.0023935600000000, -0.0012011400000000, 0.0001800900000000 ] - [ 0.0003032600000000, 0.0005503200000000, -0.0004621500000000 ] - [ -0.0001962800000000, -0.0001376000000000, -0.0002178500000000 ] - [ 0.0006732500000000, -0.0003740000000000, -0.0006776900000000 ] - [ 0.0003372300000000, -0.0000876800000000, -0.0001244300000000 ] - [ 0.0044639900000000, -0.0014464800000000, 0.0004981100000000 ] - [ 0.0005015900000000, 0.0003420900000000, 0.0001996900000000 ] - [ -0.0050570800000000, 0.0015091400000000, -0.0009599300000000 ] - [ -0.0007692100000000, -0.0011669600000000, -0.0007515100000000 ] - [ 0.0016393900000000, -0.0006665700000000, 0.0036737500000000 ] - [ -0.0011288100000000, 0.0004023100000000, 0.0021799400000000 ] - [ -0.0005216100000000, 0.0004478200000000, -0.0004518500000000 ] - [ -0.0079576500000000, -0.0009841200000000, 0.0087813900000000 ] - [ -0.0000612500000000, -0.0000340500000000, 0.0005150000000000 ] - [ -0.0018402500000000, -0.0007768100000000, 0.0010579100000000 ] - [ -0.0001201500000000, 0.0000167500000000, 0.0000634100000000 ] - [ -0.0000130500000000, 0.0004876700000000, 0.0003792900000000 ] - [ 0.0001991100000000, 0.0003673300000000, -0.0000743000000000 ] - [ 0.0000455900000000, -0.0002489900000000, -0.0000315100000000 ] - [ -0.0122728700000000, -0.0022110000000000, -0.0037077400000000 ] - [ -0.0000205200000000, 0.0002939300000000, -0.0004349000000000 ] - [ 0.0003684200000000, 0.0003367600000000, 0.0005089200000000 ] - [ -0.0002775400000000, 0.0008681700000000, 0.0014963300000000 ] - [ -0.0041183700000000, 0.0021718800000000, -0.0018375600000000 ] - [ 0.0004232500000000, 0.0002236800000000, 0.0004441300000000 ] - [ -0.0005511600000000, -0.0089841400000000, 0.0026900600000000 ] - [ -0.0000755700000000, -0.0005147700000000, -0.0000537200000000 ] - [ -0.0196246500000000, 0.0103246500000000, 0.0023889100000000 ] - [ 0.0037286900000000, 0.0004462800000000, 0.0002737200000000 ] - [ 0.0004803400000000, 0.0001254600000000, -0.0000848000000000 ] - [ -0.0019899600000000, -0.0000857400000000, -0.0010906900000000 ] - [ -0.0001689100000000, -0.0000092700000000, 0.0000916800000000 ] - [ 0.0036292700000000, -0.0004271700000000, 0.0003738800000000 ] - [ 0.0004253100000000, 0.0002309600000000, 0.0002131300000000 ] - [ -0.0021296300000000, -0.0008755300000000, -0.0005373800000000 ] - [ -0.0001186200000000, -0.0003361700000000, -0.0000521400000000 ] - [ -0.0026282600000000, 0.0013639200000000, 0.0010396200000000 ] - [ -0.0032382500000000, -0.0001103700000000, 0.0001518900000000 ] - [ 0.0005520100000000, -0.0000853700000000, -0.0000102400000000 ] - [ 0.0002588500000000, -0.0002816900000000, 0.0001469000000000 ] - [ 0.0000957200000000, 0.0006803300000000, 0.0018646500000000 ] - [ -0.0060477900000000, 0.0062229400000000, 0.0015759000000000 ] - [ -0.0003412800000000, 0.0001238700000000, 0.0004641800000000 ] - [ 0.0044452000000000, 0.0022025000000000, 0.0034446000000000 ] - [ -0.0364180700000000, -0.0184578800000000, 0.0199503100000000 ] - [ -0.0009643500000000, -0.0000060700000000, -0.0004933500000000 ] - [ 0.0009613800000000, 0.0006858000000000, -0.0013668600000000 ] - [ 0.0006162800000000, 0.0001645400000000, 0.0002504300000000 ] - [ 0.0022567000000000, -0.0015620600000000, 0.0008015800000000 ] - [ 0.0031018600000000, 0.0007971500000000, -0.0084053800000000 ] - [ -0.0011335500000000, -0.0000891300000000, -0.0006206900000000 ] - [ -0.0001082400000000, -0.0000667600000000, 0.0005706500000000 ] - [ -0.0010531500000000, 0.0001515800000000, 0.0004761200000000 ] - [ -0.1980470700000000, 0.0019582500000000, -0.0702427800000000 ] - [ 0.0002550600000000, -0.0000262400000000, 0.0006722400000000 ] - [ 0.0008676400000000, 0.0006243000000000, 0.0023699000000000 ] - [ 0.0094436600000000, -0.0005457600000000, -0.0011622100000000 ] - [ 0.0000327000000000, -0.0003249800000000, -0.0002591300000000 ] - [ 0.0017509800000000, 0.0049828900000000, 0.0007721500000000 ] - [ -0.0009851700000000, 0.0000630000000000, -0.0014672800000000 ] - [ 0.0080252600000000, -0.0028801700000000, 0.0076323700000000 ] - [ 0.0013901900000000, -0.0006335200000000, -0.0012071800000000 ] - [ -0.0003511500000000, -0.0004460100000000, -0.0004828400000000 ] - [ -0.0010944200000000, -0.0006175700000000, 0.0008266300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009984500000000, -0.0010636000000000, 0.0005068800000000 ] - [ 0.0009333600000000, 0.0003748800000000, -0.0002461100000000 ] - [ 0.0005766900000000, 0.0003567300000000, -0.0000622200000000 ] - [ -0.0006658000000000, 0.0002848500000000, -0.0000818200000000 ] - [ 0.0000288100000000, -0.0012054700000000, -0.0002951600000000 ] - [ 0.0002184000000000, 0.0021322700000000, -0.0002534400000000 ] - [ -0.0001083400000000, -0.0001617700000000, 0.0004431900000000 ] - [ 0.0001414800000000, -0.0002359500000000, -0.0007579600000000 ] - [ 0.0003715700000000, -0.0000792100000000, -0.0004660300000000 ] - [ -0.0000433600000000, 0.0010222200000000, 0.0014394600000000 ] - [ -0.0003955300000000, 0.0001066400000000, 0.0004098800000000 ] - [ -0.0022588900000000, -0.0065495600000000, -0.0025673500000000 ] - [ -0.0226626000000000, -0.0559825800000000, 0.0300580400000000 ] - [ -0.0004576300000000, 0.0004165100000000, 0.0003683200000000 ] - [ -0.0000600700000000, -0.0000143700000000, 0.0006169800000000 ] - [ 0.0003808300000000, -0.0001009100000000, -0.0004602800000000 ] - [ 0.0004046800000000, -0.0002045700000000, 0.0002748000000000 ] - [ 0.0151110900000000, 0.0011521400000000, 0.0044435800000000 ] - [ -0.0004528700000000, 0.0003434600000000, -0.0002361200000000 ] - [ 0.0005553300000000, 0.0000109600000000, 0.0006839500000000 ] - [ 0.0000578100000000, -0.0006198600000000, -0.0003268100000000 ] - [ 0.0003270500000000, 0.0002855300000000, 0.0000622200000000 ] - [ -0.0003187600000000, -0.0001646600000000, -0.0002142600000000 ] - [ 0.0001349700000000, -0.0000182800000000, 0.0003922600000000 ] - [ -0.0009263800000000, -0.0005133700000000, -0.0002876100000000 ] - [ -0.0021951500000000, 0.0072139500000000, 0.0018633500000000 ] - [ 0.0008045900000000, 0.0004431600000000, 0.0002324200000000 ] - [ -0.0003304500000000, -0.0001164100000000, 0.0000848400000000 ] - [ -0.0003436900000000, 0.0015279400000000, 0.0004155200000000 ] - [ 0.0006858400000000, -0.0017061000000000, -0.0000840900000000 ] - [ 0.0005385900000000, 0.0003726200000000, -0.0000534500000000 ] - [ -0.0003925400000000, 0.0004521800000000, -0.0001526000000000 ] - [ 0.0011405200000000, -0.0006080800000000, -0.0011690900000000 ] - [ -0.0000883900000000, 0.0000034100000000, 0.0004273200000000 ] - [ 0.0006680300000000, 0.0017324100000000, 0.0005966000000000 ] - [ 0.0002270500000000, 0.0000282100000000, -0.0006548900000000 ] - [ -0.0001613700000000, 0.0005743200000000, 0.0005895100000000 ] - [ 0.0001774600000000, 0.0008192900000000, -0.0009603400000000 ] - [ 0.0002634600000000, -0.0003314300000000, -0.0009304900000000 ] - [ 0.0017415400000000, -0.0016012600000000, 0.0015575200000000 ] - [ -0.0002234600000000, 0.0002164000000000, -0.0001885500000000 ] - [ 0.0001676000000000, 0.0002078300000000, 0.0002252800000000 ] - [ 0.0002294900000000, 0.0008053300000000, 0.0002902200000000 ] - [ -0.0011485900000000, -0.0012004500000000, -0.0008433700000000 ] - [ -0.0000164200000000, 0.0004023900000000, -0.0000484600000000 ] - [ 0.0033269100000000, 0.0138278700000000, -0.0030109700000000 ] - [ 0.0001010800000000, -0.0005387900000000, -0.0000491800000000 ] - [ -0.0117689200000000, -0.0031150800000000, 0.0000832600000000 ] - [ -0.0013156100000000, -0.0004252600000000, -0.0004886800000000 ] - [ -0.0000109600000000, -0.0000606200000000, -0.0000808500000000 ] - [ 0.0002270700000000, 0.0000596400000000, -0.0014927900000000 ] - [ 0.0000108000000000, 0.0000225400000000, 0.0000378500000000 ] - [ 0.0002384100000000, -0.0005121700000000, 0.0003332800000000 ] - [ -0.0001173500000000, 0.0004950000000000, 0.0000915900000000 ] - [ 0.0002120700000000, -0.0003480200000000, 0.0008787400000000 ] - [ 0.0000833300000000, -0.0003837500000000, -0.0000302700000000 ] - [ -0.0004170000000000, -0.0020415300000000, -0.0026297500000000 ] - [ 0.0006213200000000, 0.0048714700000000, -0.0027850800000000 ] - [ 0.0000827200000000, -0.0002444600000000, 0.0000302800000000 ] - [ -0.0001480400000000, -0.0001452500000000, -0.0000105600000000 ] - [ 0.0005990300000000, -0.0001399500000000, -0.0005174000000000 ] - [ -0.0006893100000000, -0.0061841700000000, -0.0004444000000000 ] - [ -0.0005714300000000, 0.0001079900000000, 0.0004212800000000 ] - [ 0.0010092900000000, 0.0009432900000000, -0.0006004300000000 ] - [ 0.0231049100000000, 0.0156884600000000, -0.0144538800000000 ] - [ -0.0002295900000000, -0.0002834900000000, -0.0000181800000000 ] - [ -0.0007159100000000, -0.0001878300000000, 0.0000972200000000 ] - [ 0.0002530200000000, 0.0001728000000000, 0.0003482600000000 ] - [ 0.0000654200000000, -0.0006196900000000, 0.0000757800000000 ] - [ -0.0000620100000000, 0.0012528900000000, -0.0027327000000000 ] - [ -0.0001537400000000, 0.0001534300000000, 0.0001180300000000 ] - [ 0.0002674100000000, 0.0000185500000000, -0.0001007300000000 ] - [ -0.0000673300000000, -0.0001759100000000, -0.0000888400000000 ] - [ -0.0055243600000000, 0.0371737200000000, -0.0055069900000000 ] - [ 0.0001340100000000, -0.0001370200000000, 0.0002362800000000 ] - [ -0.0001954300000000, -0.0005063600000000, -0.0014877000000000 ] - [ -0.0005860300000000, 0.0000254500000000, 0.0008707700000000 ] - [ -0.0002769000000000, -0.0004316400000000, -0.0004218300000000 ] - [ 0.0003868900000000, -0.0093370000000000, -0.0025471100000000 ] - [ 0.0002840600000000, 0.0004339100000000, 0.0006953800000000 ] - [ 0.0009638100000000, 0.0042732400000000, -0.0010221500000000 ] - [ -0.0007266900000000, -0.0011645700000000, 0.0011977700000000 ] - [ -0.0000541000000000, -0.0007957400000000, 0.0003780500000000 ] - [ 0.0000216900000000, -0.0005496800000000, -0.0000150000000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003200600000000, 0.0004068600000000, -0.0004915900000000 ] - [ 0.0003707200000000, -0.0010234200000000, 0.0002311300000000 ] - [ 0.0007344500000000, 0.0002953900000000, 0.0000478300000000 ] - [ -0.0006442100000000, 0.0003671700000000, 0.0000896100000000 ] - [ 0.0002961000000000, 0.0016128400000000, -0.0007683900000000 ] - [ -0.0005339700000000, -0.0017256500000000, 0.0013101100000000 ] - [ -0.0002148100000000, -0.0002470700000000, 0.0006101000000000 ] - [ 0.0001908500000000, -0.0001737300000000, -0.0003114000000000 ] - [ 0.0003819300000000, -0.0000689000000000, -0.0004911400000000 ] - [ -0.0007089700000000, -0.0011696500000000, -0.0004916300000000 ] - [ -0.0003586500000000, 0.0000412300000000, 0.0005397600000000 ] - [ 0.0029534500000000, 0.0067095300000000, 0.0015526800000000 ] - [ 0.0250068100000000, 0.0557583100000000, -0.0304536100000000 ] - [ -0.0002638800000000, -0.0002318000000000, 0.0004562000000000 ] - [ -0.0006586400000000, -0.0001770500000000, 0.0002251600000000 ] - [ 0.0003203300000000, -0.0000775400000000, -0.0003658400000000 ] - [ 0.0004926700000000, -0.0004416200000000, 0.0001460200000000 ] - [ -0.0158265400000000, -0.0017627400000000, -0.0048323700000000 ] - [ -0.0004422200000000, 0.0002990900000000, -0.0001914900000000 ] - [ 0.0003364300000000, 0.0006199600000000, -0.0002572600000000 ] - [ -0.0002286300000000, -0.0004205800000000, 0.0003523700000000 ] - [ 0.0003112700000000, 0.0000365300000000, 0.0002821600000000 ] - [ -0.0003165100000000, -0.0001556600000000, -0.0001451300000000 ] - [ 0.0004953700000000, -0.0002899500000000, -0.0000345700000000 ] - [ -0.0006226900000000, -0.0003141600000000, -0.0001915400000000 ] - [ 0.0037523600000000, -0.0080112200000000, -0.0013559800000000 ] - [ 0.0007527000000000, 0.0003951500000000, 0.0002505300000000 ] - [ -0.0012340400000000, 0.0009545100000000, -0.0005692300000000 ] - [ -0.0004635200000000, -0.0024190300000000, -0.0007264200000000 ] - [ 0.0001214100000000, 0.0008113500000000, 0.0003980200000000 ] - [ 0.0002640100000000, 0.0005179600000000, 0.0003563000000000 ] - [ -0.0004110200000000, 0.0004369400000000, -0.0001596400000000 ] - [ -0.0009423300000000, 0.0005500300000000, 0.0001569200000000 ] - [ -0.0001163400000000, -0.0000454800000000, 0.0005546100000000 ] - [ -0.0008936600000000, -0.0016968800000000, 0.0003904000000000 ] - [ -0.0000403200000000, 0.0000286700000000, -0.0003443900000000 ] - [ -0.0001386400000000, 0.0006395100000000, 0.0007662700000000 ] - [ 0.0001456000000000, 0.0004057300000000, -0.0003859100000000 ] - [ 0.0000542000000000, -0.0008840100000000, -0.0004202900000000 ] - [ -0.0020668600000000, 0.0003888200000000, -0.0002078700000000 ] - [ -0.0002194100000000, 0.0000903000000000, -0.0001460700000000 ] - [ 0.0002773700000000, 0.0000984300000000, 0.0001114600000000 ] - [ 0.0002183600000000, -0.0011042700000000, 0.0000491200000000 ] - [ 0.0006975900000000, 0.0008885400000000, 0.0005090700000000 ] - [ -0.0001429100000000, 0.0006422800000000, 0.0000763900000000 ] - [ -0.0032132900000000, -0.0128462700000000, 0.0030368400000000 ] - [ 0.0000565500000000, -0.0005339300000000, 0.0000154300000000 ] - [ 0.0111882800000000, 0.0034812000000000, -0.0004452100000000 ] - [ 0.0013354300000000, 0.0003626600000000, 0.0005049400000000 ] - [ 0.0000027500000000, -0.0000059400000000, 0.0000633500000000 ] - [ -0.0002407600000000, 0.0000168300000000, 0.0014678900000000 ] - [ -0.0000015600000000, 0.0000431900000000, -0.0000186200000000 ] - [ -0.0000888200000000, 0.0012805200000000, -0.0004766200000000 ] - [ -0.0000205900000000, 0.0002826700000000, 0.0000530000000000 ] - [ -0.0003583000000000, -0.0004406600000000, -0.0007368800000000 ] - [ 0.0000563700000000, -0.0003935900000000, -0.0001114300000000 ] - [ 0.0001880000000000, 0.0024294500000000, 0.0026652100000000 ] - [ -0.0004215600000000, -0.0043016000000000, 0.0025046700000000 ] - [ 0.0001474000000000, -0.0001478700000000, -0.0000478800000000 ] - [ -0.0000797200000000, -0.0002402300000000, 0.0000309100000000 ] - [ 0.0005461000000000, -0.0001141000000000, -0.0001998900000000 ] - [ -0.0004783200000000, 0.0059229400000000, 0.0011509600000000 ] - [ -0.0005733900000000, 0.0001458800000000, 0.0003055800000000 ] - [ 0.0001495100000000, -0.0006579100000000, -0.0000901200000000 ] - [ -0.0232036400000000, -0.0159369900000000, 0.0153186900000000 ] - [ -0.0003055600000000, -0.0000363500000000, -0.0004926100000000 ] - [ 0.0001897300000000, 0.0005022100000000, -0.0006232300000000 ] - [ 0.0002845100000000, 0.0001502400000000, 0.0001746800000000 ] - [ 0.0003666800000000, 0.0004984000000000, -0.0001261200000000 ] - [ -0.0003549900000000, -0.0013762200000000, 0.0027725700000000 ] - [ -0.0002691500000000, -0.0000285000000000, -0.0000579100000000 ] - [ 0.0001574200000000, 0.0001021100000000, 0.0000442000000000 ] - [ -0.0002061900000000, 0.0004151300000000, -0.0002924700000000 ] - [ 0.0046900500000000, -0.0368064000000000, 0.0053375500000000 ] - [ 0.0001457200000000, -0.0001073200000000, 0.0001653300000000 ] - [ -0.0000652900000000, 0.0002639100000000, 0.0010798200000000 ] - [ 0.0010319300000000, -0.0008536700000000, 0.0000679700000000 ] - [ -0.0001727700000000, -0.0003849900000000, -0.0005157400000000 ] - [ -0.0008088900000000, 0.0101571100000000, 0.0016200500000000 ] - [ 0.0001617400000000, 0.0003807600000000, 0.0002418400000000 ] - [ -0.0007601400000000, -0.0032153800000000, 0.0006378300000000 ] - [ 0.0005382800000000, 0.0022083600000000, -0.0007841900000000 ] - [ -0.0001250800000000, -0.0002601300000000, 0.0000218700000000 ] - [ 0.0001464200000000, -0.0005102400000000, -0.0003827300000000 ]- atom: 13 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ -0.0021907400000000, -0.0004087800000000, -0.0008293900000000 ] - [ -0.0004904000000000, -0.0000212000000000, -0.0003614100000000 ] - [ 0.0009119700000000, 0.0003860200000000, 0.0006428900000000 ] - [ -0.0003529900000000, 0.0003516600000000, 0.0010561700000000 ] - [ 0.0027972400000000, 0.0004016200000000, -0.0004570500000000 ] - [ -0.0000851900000000, 0.0001549200000000, 0.0000772100000000 ] - [ -0.0004988400000000, -0.0000493400000000, 0.0014419900000000 ] - [ -0.0001522100000000, -0.0002568100000000, 0.0011778700000000 ] - [ 0.0004707000000000, -0.0001164500000000, 0.0006111300000000 ] - [ -0.0005093300000000, -0.0006339700000000, -0.0017256500000000 ] - [ -0.0001560900000000, 0.0000623400000000, 0.0012597100000000 ] - [ 0.0150539500000000, 0.0007223800000000, 0.0052625500000000 ] - [ 0.0922719700000000, 0.0388475000000000, -0.0603379700000000 ] - [ 0.0001949200000000, 0.0000716600000000, 0.0007414200000000 ] - [ -0.0006854100000000, -0.0000724900000000, 0.0001998200000000 ] - [ 0.0001980100000000, -0.0000441000000000, 0.0004294900000000 ] - [ 0.0006031600000000, -0.0001195700000000, 0.0004198500000000 ] - [ -0.0080496000000000, -0.0067801000000000, -0.0090418600000000 ] - [ -0.0004249600000000, 0.0002819100000000, 0.0003952700000000 ] - [ 0.0007669400000000, 0.0014664300000000, -0.0001135900000000 ] - [ -0.0013916800000000, -0.0017632600000000, -0.0001776300000000 ] - [ 0.0003892200000000, 0.0001279600000000, 0.0000413000000000 ] - [ -0.0005382100000000, -0.0003365200000000, 0.0008589000000000 ] - [ 0.0005584400000000, -0.0003151800000000, 0.0001719900000000 ] - [ 0.0001511500000000, 0.0000955900000000, 0.0009805700000000 ] - [ 0.0022786500000000, -0.0002435800000000, -0.0010750100000000 ] - [ 0.0006532500000000, 0.0004607100000000, 0.0007699400000000 ] - [ -0.0021516900000000, 0.0011975800000000, -0.0006020000000000 ] - [ -0.0008227700000000, -0.0010371700000000, -0.0025202500000000 ] - [ -0.0008443000000000, -0.0003471800000000, 0.0073000400000000 ] - [ -0.0006120400000000, 0.0002384700000000, 0.0025734900000000 ] - [ -0.0002690900000000, 0.0003628200000000, 0.0007737000000000 ] - [ -0.0082498600000000, -0.0009124500000000, 0.0073401600000000 ] - [ -0.0004363300000000, -0.0001496700000000, 0.0013922300000000 ] - [ -0.0011759300000000, -0.0007145200000000, -0.0002544900000000 ] - [ -0.0010546700000000, 0.0000344100000000, 0.0019161000000000 ] - [ 0.0000257200000000, 0.0009775200000000, 0.0020193200000000 ] - [ 0.0001571300000000, 0.0002321100000000, 0.0000641300000000 ] - [ -0.0000473900000000, -0.0006233200000000, -0.0003821000000000 ] - [ -0.0042439200000000, -0.0008349700000000, -0.0021441500000000 ] - [ -0.0002310100000000, -0.0001744900000000, 0.0005696300000000 ] - [ 0.0002002500000000, 0.0006236700000000, 0.0009082700000000 ] - [ -0.0002810800000000, 0.0009750300000000, 0.0005616700000000 ] - [ -0.0008178900000000, 0.0001368200000000, -0.0017596800000000 ] - [ 0.0003444900000000, -0.0003440600000000, 0.0014346000000000 ] - [ -0.0017059900000000, -0.0081750700000000, -0.0002293600000000 ] - [ 0.0000108300000000, -0.0007336800000000, 0.0005992900000000 ] - [ -0.0131497800000000, 0.0056222200000000, -0.0063921000000000 ] - [ 0.0015383500000000, 0.0000634600000000, 0.0010694100000000 ] - [ 0.0003164800000000, -0.0001317700000000, -0.0004277300000000 ] - [ -0.0003784400000000, -0.0013921500000000, -0.0016888600000000 ] - [ -0.0000084700000000, -0.0000724500000000, -0.0006568800000000 ] - [ 0.0017825400000000, -0.0001314200000000, 0.0012048100000000 ] - [ 0.0002332000000000, 0.0004854300000000, -0.0002544700000000 ] - [ -0.0003689100000000, 0.0005294200000000, -0.0010078100000000 ] - [ -0.0000134800000000, -0.0003561200000000, -0.0007534600000000 ] - [ -0.0016028600000000, -0.0021518000000000, -0.0004207300000000 ] - [ -0.0016203200000000, -0.0022437800000000, 0.0043516500000000 ] - [ 0.0002324500000000, 0.0000637600000000, -0.0005890400000000 ] - [ -0.0000051200000000, -0.0004375800000000, -0.0004852500000000 ] - [ -0.0002454600000000, -0.0002077900000000, -0.0010172000000000 ] - [ -0.0033202200000000, 0.0026572600000000, 0.0030627700000000 ] - [ -0.0006134100000000, 0.0001078900000000, -0.0006090800000000 ] - [ -0.0006224100000000, -0.0021996800000000, -0.0017317200000000 ] - [ -0.0392237800000000, -0.0228998200000000, 0.0275124400000000 ] - [ -0.0002786500000000, 0.0004884500000000, -0.0010951700000000 ] - [ 0.0000851900000000, 0.0008740000000000, -0.0005908200000000 ] - [ 0.0003513500000000, 0.0004326000000000, -0.0013549900000000 ] - [ 0.0012537800000000, 0.0000129500000000, 0.0007467500000000 ] - [ 0.0038040600000000, -0.0007251300000000, -0.0035590700000000 ] - [ -0.0006322600000000, -0.0003962500000000, -0.0015445300000000 ] - [ -0.0000466800000000, 0.0002472900000000, -0.0006529700000000 ] - [ -0.0007468700000000, -0.0000917500000000, -0.0009768900000000 ] - [ -0.0354475300000000, -0.0024608100000000, 0.0271044200000000 ] - [ 0.0003977800000000, 0.0001331100000000, -0.0015104300000000 ] - [ -0.0005638600000000, -0.0006487700000000, 0.0021008100000000 ] - [ 0.0066245500000000, 0.0010738800000000, -0.0011011100000000 ] - [ 0.0000712400000000, -0.0003449100000000, -0.0019719300000000 ] - [ 0.0019249800000000, 0.0036597700000000, 0.0042484900000000 ] - [ -0.0007741800000000, 0.0002646000000000, -0.0048706700000000 ] - [ 0.0001209800000000, -0.0010142000000000, 0.0055021800000000 ] - [ 0.0009333200000000, -0.0005276700000000, 0.0003392600000000 ] - [ 0.0000427900000000, -0.0006955700000000, -0.0014080500000000 ] - [ 0.0003812800000000, -0.0005879300000000, -0.0025511200000000 ]- atom: 13 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ 0.0008707200000000, -0.0002474200000000, 0.0008465000000000 ] - [ 0.0017971700000000, -0.0006319900000000, 0.0003519100000000 ] - [ 0.0003878900000000, 0.0002625300000000, -0.0006597200000000 ] - [ -0.0009442700000000, 0.0002979600000000, -0.0010369000000000 ] - [ -0.0024713900000000, 0.0000058600000000, -0.0006035300000000 ] - [ -0.0002416500000000, 0.0002503100000000, 0.0009871500000000 ] - [ 0.0001710500000000, -0.0003600200000000, -0.0003880200000000 ] - [ 0.0004857300000000, -0.0001547100000000, -0.0022358800000000 ] - [ 0.0002825900000000, -0.0000298100000000, -0.0015588600000000 ] - [ -0.0002479300000000, 0.0004833600000000, 0.0026620000000000 ] - [ -0.0005943900000000, 0.0000809600000000, -0.0003178700000000 ] - [ -0.0142074700000000, -0.0005997800000000, -0.0061688400000000 ] - [ -0.0884120600000000, -0.0373042700000000, 0.0589742400000000 ] - [ -0.0008838300000000, 0.0000960000000000, 0.0000735300000000 ] - [ -0.0000293100000000, -0.0001181500000000, 0.0006378200000000 ] - [ 0.0005195100000000, -0.0001451100000000, -0.0012681000000000 ] - [ 0.0002862300000000, -0.0005183700000000, 0.0000085400000000 ] - [ 0.0071395600000000, 0.0061719000000000, 0.0086818800000000 ] - [ -0.0004674900000000, 0.0003579600000000, -0.0008217700000000 ] - [ 0.0001181500000000, -0.0008261900000000, 0.0005364900000000 ] - [ 0.0012131800000000, 0.0007035200000000, 0.0001945300000000 ] - [ 0.0002451000000000, 0.0001896100000000, 0.0003157700000000 ] - [ -0.0000909400000000, 0.0000292600000000, -0.0012123000000000 ] - [ 0.0000725700000000, 0.0000079300000000, 0.0001720800000000 ] - [ -0.0017141800000000, -0.0009304500000000, -0.0014672900000000 ] - [ -0.0007034100000000, -0.0005995600000000, 0.0015534600000000 ] - [ 0.0009041200000000, 0.0003806500000000, -0.0002855600000000 ] - [ 0.0005798900000000, -0.0003452600000000, 0.0001062900000000 ] - [ 0.0000231000000000, 0.0001496200000000, 0.0022126500000000 ] - [ 0.0016793500000000, -0.0005466800000000, -0.0070679000000000 ] - [ 0.0013989300000000, 0.0006452500000000, -0.0022502500000000 ] - [ -0.0005250400000000, 0.0005210000000000, -0.0010850600000000 ] - [ 0.0083665000000000, 0.0008756100000000, -0.0082068100000000 ] - [ 0.0002350800000000, 0.0000896100000000, -0.0003747400000000 ] - [ 0.0009667600000000, 0.0007535500000000, 0.0012356100000000 ] - [ 0.0012586600000000, 0.0000067200000000, -0.0029102200000000 ] - [ -0.0003497600000000, 0.0002430100000000, -0.0006750800000000 ] - [ 0.0001600100000000, 0.0009823200000000, -0.0014121600000000 ] - [ 0.0003324400000000, -0.0005757900000000, -0.0009739300000000 ] - [ 0.0039067800000000, -0.0004027000000000, 0.0035099000000000 ] - [ -0.0002119800000000, 0.0004886000000000, -0.0008993200000000 ] - [ 0.0002435300000000, -0.0003113300000000, -0.0005785600000000 ] - [ 0.0007267000000000, -0.0012815700000000, -0.0002200800000000 ] - [ 0.0003626800000000, -0.0004428000000000, 0.0014278500000000 ] - [ -0.0004936500000000, 0.0014317600000000, -0.0014003800000000 ] - [ 0.0018742900000000, 0.0091851500000000, 0.0002155800000000 ] - [ 0.0001630400000000, -0.0003221200000000, -0.0006187400000000 ] - [ 0.0126032900000000, -0.0053949600000000, 0.0061176400000000 ] - [ -0.0015156800000000, -0.0001315000000000, -0.0010505500000000 ] - [ -0.0003273200000000, 0.0000645300000000, 0.0004078600000000 ] - [ 0.0003609600000000, 0.0014564700000000, 0.0016620200000000 ] - [ 0.0000163800000000, 0.0001413100000000, 0.0006739900000000 ] - [ -0.0016398700000000, 0.0009047400000000, -0.0013469100000000 ] - [ -0.0003725600000000, 0.0002902700000000, 0.0003956000000000 ] - [ 0.0002220900000000, -0.0013042100000000, 0.0011498000000000 ] - [ 0.0001505500000000, -0.0004238600000000, 0.0006075200000000 ] - [ 0.0013748300000000, 0.0025419700000000, 0.0004321800000000 ] - [ 0.0017966400000000, 0.0028040400000000, -0.0045044000000000 ] - [ -0.0000022400000000, -0.0004521500000000, 0.0005705100000000 ] - [ -0.0002226700000000, 0.0000490700000000, 0.0005044800000000 ] - [ 0.0013937200000000, -0.0000494800000000, 0.0002909200000000 ] - [ 0.0021731100000000, -0.0028906400000000, -0.0023474900000000 ] - [ -0.0005320100000000, 0.0001469600000000, 0.0013334500000000 ] - [ 0.0017801400000000, 0.0024655400000000, 0.0010332300000000 ] - [ 0.0376557900000000, 0.0211488900000000, -0.0262258600000000 ] - [ -0.0002621500000000, -0.0008160600000000, 0.0005715700000000 ] - [ -0.0006200000000000, -0.0005485300000000, 0.0000725100000000 ] - [ 0.0001848900000000, -0.0001140300000000, 0.0018733300000000 ] - [ -0.0008263400000000, -0.0001387900000000, -0.0008060700000000 ] - [ -0.0042500500000000, 0.0006140800000000, 0.0035996300000000 ] - [ 0.0002026200000000, 0.0005159000000000, 0.0015995500000000 ] - [ 0.0004702800000000, -0.0001227600000000, 0.0005969800000000 ] - [ 0.0004702400000000, 0.0003387600000000, 0.0005801300000000 ] - [ 0.0346149600000000, 0.0027123600000000, -0.0270212900000000 ] - [ -0.0001229100000000, -0.0003814600000000, 0.0018999100000000 ] - [ 0.0002989600000000, 0.0004042000000000, -0.0024891200000000 ] - [ -0.0061416000000000, -0.0018810700000000, 0.0020493000000000 ] - [ -0.0005151700000000, -0.0004727400000000, 0.0010270300000000 ] - [ -0.0023769200000000, -0.0028597600000000, -0.0051969700000000 ] - [ 0.0012356500000000, 0.0005515000000000, 0.0058175000000000 ] - [ 0.0000827600000000, 0.0020804500000000, -0.0059004900000000 ] - [ -0.0011102300000000, 0.0015826100000000, 0.0000558000000000 ] - [ -0.0002212400000000, -0.0003599300000000, 0.0018127700000000 ] - [ -0.0002114300000000, -0.0004676900000000, 0.0021480200000000 ]- atom: 17 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ -0.0005569200000000, -0.0020265200000000, -0.0014078100000000 ] - [ 0.0018675600000000, 0.0004279400000000, -0.0002868100000000 ] - [ 0.0006668200000000, 0.0003687700000000, -0.0003802600000000 ] - [ -0.0007171500000000, 0.0003226700000000, -0.0000362200000000 ] - [ -0.0021781600000000, 0.0013323100000000, 0.0004983900000000 ] - [ 0.0011638200000000, 0.0006232500000000, 0.0010031600000000 ] - [ -0.0004245100000000, -0.0000773100000000, 0.0002873400000000 ] - [ 0.0002888100000000, -0.0002088000000000, -0.0006121200000000 ] - [ -0.0004196100000000, -0.0029704800000000, 0.0026844500000000 ] - [ -0.0003035300000000, -0.0000564300000000, 0.0004685400000000 ] - [ -0.0049676500000000, -0.0042366700000000, -0.0056629700000000 ] - [ 0.0004191300000000, 0.0000458800000000, -0.0005068900000000 ] - [ 0.0003386300000000, 0.0000565600000000, -0.0002549900000000 ] - [ 0.0148027500000000, -0.0155326700000000, 0.0002268600000000 ] - [ -0.0003714500000000, -0.0001004800000000, 0.0004340800000000 ] - [ 0.0005136500000000, -0.0001996500000000, 0.0000511100000000 ] - [ -0.1159611200000000, 0.0755474900000000, 0.0227599100000000 ] - [ -0.0003281100000000, -0.0004235200000000, -0.0001738800000000 ] - [ -0.0014977100000000, 0.0007573000000000, 0.0001652000000000 ] - [ 0.0004655600000000, 0.0003208300000000, 0.0002100900000000 ] - [ -0.0000944100000000, -0.0004920900000000, -0.0000378800000000 ] - [ -0.0079167200000000, 0.0064001000000000, -0.0001044900000000 ] - [ -0.0009001600000000, -0.0005909400000000, 0.0003179100000000 ] - [ 0.0003617600000000, -0.0001684700000000, 0.0001598500000000 ] - [ 0.0056504000000000, 0.0041287800000000, -0.0011155000000000 ] - [ 0.0007772300000000, -0.0004240900000000, 0.0003209800000000 ] - [ 0.0031694000000000, 0.0026069700000000, 0.0034086700000000 ] - [ -0.0007468600000000, 0.0004208400000000, -0.0002792500000000 ] - [ -0.0010885800000000, -0.0005881500000000, 0.0002533100000000 ] - [ 0.0015705100000000, -0.0006132000000000, 0.0013966900000000 ] - [ 0.0003708200000000, 0.0004294400000000, 0.0001693500000000 ] - [ 0.0004720000000000, 0.0008078100000000, 0.0003071700000000 ] - [ 0.0000693900000000, -0.0000250000000000, -0.0005581500000000 ] - [ 0.0022145600000000, 0.0002051600000000, -0.0010378700000000 ] - [ -0.0003013300000000, 0.0000061000000000, 0.0006163400000000 ] - [ 0.0031170000000000, -0.0003293300000000, -0.0007591400000000 ] - [ 0.0000425700000000, 0.0005500900000000, 0.0003970500000000 ] - [ 0.0000981600000000, 0.0006448100000000, -0.0007698800000000 ] - [ 0.0030572500000000, 0.0000397700000000, 0.0002693900000000 ] - [ -0.0007232100000000, -0.0008120200000000, 0.0002948500000000 ] - [ -0.0000585200000000, 0.0001148200000000, -0.0003238600000000 ] - [ 0.0001594200000000, 0.0000589700000000, 0.0001527000000000 ] - [ 0.0032576700000000, 0.0006126500000000, -0.0009930900000000 ] - [ -0.0007883200000000, -0.0001041300000000, -0.0002873200000000 ] - [ 0.0009820400000000, -0.0005579200000000, -0.0003510400000000 ] - [ 0.0000365400000000, 0.0006209200000000, 0.0000411400000000 ] - [ 0.0007513100000000, 0.0001370500000000, -0.0000479300000000 ] - [ -0.0000012800000000, 0.0000257300000000, -0.0003348400000000 ] - [ -0.0000179200000000, -0.0000359100000000, 0.0001591800000000 ] - [ 0.0067019300000000, -0.0008350800000000, 0.0016776600000000 ] - [ 0.0000011400000000, 0.0000603400000000, -0.0000011000000000 ] - [ -0.0003301000000000, -0.0001671000000000, 0.0012808700000000 ] - [ -0.0000103100000000, 0.0003801000000000, 0.0002103700000000 ] - [ -0.0005282100000000, 0.0003450400000000, -0.0000068500000000 ] - [ -0.0000702700000000, -0.0004089300000000, 0.0000865800000000 ] - [ -0.0002719900000000, 0.0000213500000000, 0.0007154200000000 ] - [ -0.0012047200000000, -0.0007595100000000, -0.0024087900000000 ] - [ 0.0004234700000000, 0.0008937800000000, -0.0008769300000000 ] - [ 0.0001066700000000, -0.0001879000000000, -0.0002069400000000 ] - [ -0.0000781000000000, -0.0001653400000000, -0.0000424600000000 ] - [ 0.0180914100000000, 0.0258876100000000, -0.0048811600000000 ] - [ -0.0006945800000000, -0.0000185000000000, 0.0001170300000000 ] - [ 0.0026061100000000, -0.0020505100000000, -0.0006655200000000 ] - [ 0.0005417000000000, 0.0001265600000000, -0.0003219400000000 ] - [ 0.0006445000000000, -0.0002172800000000, 0.0003923300000000 ] - [ -0.0063766500000000, 0.0017927700000000, 0.0031461300000000 ] - [ -0.0002100100000000, 0.0001141500000000, -0.0002227900000000 ] - [ -0.0005571700000000, 0.0001021800000000, 0.0006879500000000 ] - [ 0.0012641500000000, -0.0013963400000000, 0.0017179000000000 ] - [ -0.0020369400000000, 0.0007823800000000, 0.0003100300000000 ] - [ -0.0001265500000000, 0.0001100500000000, -0.0000502500000000 ] - [ -0.0001130200000000, 0.0001550200000000, 0.0000367800000000 ] - [ 0.0839627300000000, -0.0865875400000000, -0.0174007500000000 ] - [ -0.0001455900000000, 0.0002982200000000, 0.0001270600000000 ] - [ 0.0014015900000000, 0.0001369500000000, -0.0028296700000000 ] - [ -0.0001434400000000, -0.0001098100000000, -0.0002036800000000 ] - [ 0.0001963900000000, -0.0004043800000000, 0.0005189200000000 ] - [ -0.0041481900000000, -0.0026469900000000, -0.0005897500000000 ] - [ -0.0001761000000000, 0.0003152900000000, -0.0007898100000000 ] - [ -0.0041275800000000, -0.0011563600000000, -0.0021225100000000 ] - [ 0.0030581500000000, 0.0020696700000000, 0.0008823300000000 ] - [ -0.0041075400000000, -0.0026033100000000, 0.0002855100000000 ] - [ 0.0001065600000000, -0.0004701400000000, 0.0005784800000000 ] - [ 0.0000290200000000, -0.0004456800000000, 0.0001180700000000 ]- atom: 17 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ -0.0007426400000000, 0.0013889300000000, 0.0014331600000000 ] - [ -0.0005689400000000, -0.0010837000000000, 0.0002735500000000 ] - [ 0.0006273600000000, 0.0002796500000000, 0.0003707600000000 ] - [ -0.0005846400000000, 0.0003260400000000, 0.0000481000000000 ] - [ 0.0025096800000000, -0.0009278200000000, -0.0015602600000000 ] - [ -0.0014833600000000, -0.0002128700000000, 0.0000539000000000 ] - [ 0.0000944300000000, -0.0003329200000000, 0.0007703900000000 ] - [ 0.0000447100000000, -0.0002050700000000, -0.0004386600000000 ] - [ 0.0011886000000000, 0.0028351400000000, -0.0036253400000000 ] - [ -0.0004408300000000, -0.0000842900000000, 0.0004735300000000 ] - [ 0.0041525400000000, 0.0043779800000000, 0.0065853200000000 ] - [ 0.0003315700000000, 0.0000996200000000, -0.0004522200000000 ] - [ 0.0003694200000000, 0.0001405500000000, -0.0005951300000000 ] - [ -0.0151964100000000, 0.0153912100000000, 0.0006577500000000 ] - [ -0.0003396000000000, -0.0000951000000000, 0.0004110500000000 ] - [ 0.0001859300000000, 0.0000245300000000, -0.0008738900000000 ] - [ 0.1172924100000000, -0.0743119200000000, -0.0216396800000000 ] - [ -0.0005686300000000, -0.0002220300000000, -0.0002455800000000 ] - [ 0.0006092400000000, -0.0001230200000000, -0.0005819900000000 ] - [ 0.0004288600000000, 0.0003259700000000, 0.0002121000000000 ] - [ -0.0000780100000000, -0.0005543800000000, 0.0000558400000000 ] - [ 0.0085420000000000, -0.0060613600000000, 0.0004612400000000 ] - [ 0.0002661300000000, 0.0002804100000000, -0.0006649600000000 ] - [ 0.0002693200000000, -0.0001363400000000, 0.0001884800000000 ] - [ -0.0071706900000000, -0.0049410800000000, 0.0006132900000000 ] - [ 0.0007763900000000, -0.0004287500000000, 0.0001679300000000 ] - [ -0.0016195500000000, -0.0017751300000000, -0.0029462800000000 ] - [ -0.0008066600000000, 0.0004300200000000, -0.0002107200000000 ] - [ 0.0002948000000000, -0.0002976100000000, -0.0005687400000000 ] - [ -0.0007719300000000, -0.0002761500000000, -0.0010840400000000 ] - [ 0.0004216400000000, 0.0004577800000000, 0.0001276700000000 ] - [ -0.0012685400000000, 0.0000761200000000, -0.0006180600000000 ] - [ 0.0001397600000000, -0.0000104800000000, -0.0004178200000000 ] - [ -0.0024228400000000, -0.0002611300000000, 0.0020346500000000 ] - [ 0.0000787100000000, 0.0000259700000000, 0.0003602400000000 ] - [ -0.0029064500000000, 0.0003889700000000, -0.0002535200000000 ] - [ -0.0003352600000000, 0.0006599700000000, 0.0009636000000000 ] - [ 0.0002242300000000, 0.0005742300000000, -0.0005751900000000 ] - [ -0.0027489100000000, -0.0012524300000000, -0.0016183300000000 ] - [ 0.0004018300000000, -0.0004117300000000, 0.0010532500000000 ] - [ -0.0003840800000000, 0.0002004200000000, -0.0000084200000000 ] - [ 0.0002808400000000, 0.0002623500000000, 0.0001802100000000 ] - [ -0.0028286800000000, -0.0009222600000000, 0.0013355200000000 ] - [ 0.0003528500000000, -0.0002090800000000, -0.0000451700000000 ] - [ -0.0011441800000000, 0.0016227300000000, 0.0003751900000000 ] - [ 0.0001430000000000, 0.0004300400000000, -0.0000569500000000 ] - [ -0.0006015600000000, -0.0012163400000000, 0.0000108400000000 ] - [ -0.0006328300000000, 0.0002825000000000, -0.0000163400000000 ] - [ 0.0000249100000000, -0.0000328500000000, -0.0001428700000000 ] - [ -0.0073197400000000, 0.0009997300000000, -0.0018790100000000 ] - [ -0.0000105000000000, 0.0000098800000000, -0.0000152400000000 ] - [ 0.0003447200000000, 0.0002369100000000, -0.0012595300000000 ] - [ 0.0001450200000000, 0.0003979600000000, -0.0003579700000000 ] - [ 0.0003769000000000, 0.0004311900000000, 0.0001522200000000 ] - [ -0.0000666300000000, -0.0003698200000000, 0.0000586400000000 ] - [ 0.0004166600000000, -0.0008057500000000, -0.0008647000000000 ] - [ 0.0009813100000000, 0.0011419500000000, 0.0024144900000000 ] - [ -0.0001867300000000, -0.0005009700000000, 0.0008565100000000 ] - [ 0.0001201900000000, -0.0002033500000000, 0.0001883200000000 ] - [ -0.0001517400000000, -0.0002229000000000, 0.0000609400000000 ] - [ -0.0171559100000000, -0.0256464300000000, 0.0040983200000000 ] - [ -0.0004431200000000, -0.0002371500000000, 0.0005923500000000 ] - [ -0.0037787400000000, 0.0023077200000000, 0.0013770900000000 ] - [ 0.0005955000000000, 0.0001304200000000, -0.0003907100000000 ] - [ -0.0001081800000000, -0.0001056100000000, 0.0001233200000000 ] - [ 0.0058230500000000, -0.0021025000000000, -0.0036346500000000 ] - [ -0.0003235800000000, 0.0002057000000000, -0.0002920700000000 ] - [ 0.0010893500000000, 0.0002203500000000, -0.0001628400000000 ] - [ -0.0008552400000000, 0.0012821300000000, -0.0017463000000000 ] - [ 0.0016128200000000, -0.0009147600000000, -0.0002558900000000 ] - [ -0.0002949400000000, 0.0000126000000000, 0.0001078500000000 ] - [ 0.0005387200000000, -0.0000324200000000, -0.0000963800000000 ] - [ -0.0840776300000000, 0.0844890900000000, 0.0165675400000000 ] - [ 0.0004242200000000, -0.0000558500000000, 0.0002770900000000 ] - [ -0.0011344600000000, -0.0003727800000000, 0.0032095700000000 ] - [ -0.0001231900000000, -0.0001334500000000, -0.0001965100000000 ] - [ 0.0002477800000000, -0.0004132000000000, 0.0004185100000000 ] - [ 0.0037034900000000, 0.0018381600000000, -0.0003480100000000 ] - [ -0.0002642300000000, 0.0004995300000000, -0.0001404400000000 ] - [ 0.0045813700000000, 0.0019716600000000, 0.0030524300000000 ] - [ -0.0029095000000000, -0.0010296500000000, -0.0012886400000000 ] - [ 0.0039272200000000, 0.0036739400000000, 0.0000959100000000 ] - [ -0.0002773600000000, -0.0005872400000000, -0.0001792000000000 ] - [ 0.0001471600000000, -0.0006103800000000, -0.0005204300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027479200000000, 0.0021415200000000, 0.0019396900000000 ] - [ 0.0018778900000000, -0.0011469600000000, -0.0010495400000000 ] - [ 0.0004846100000000, 0.0001964000000000, 0.0009573700000000 ] - [ -0.0005271600000000, 0.0002624100000000, -0.0001737000000000 ] - [ -0.0001975300000000, 0.0119202100000000, 0.0101526100000000 ] - [ -0.0002878700000000, -0.0001105000000000, -0.0002436900000000 ] - [ -0.0001272100000000, -0.0003163000000000, 0.0016099300000000 ] - [ 0.0000938600000000, -0.0001977700000000, -0.0007120300000000 ] - [ -0.0035777600000000, 0.0111487700000000, -0.0128412900000000 ] - [ -0.0003851500000000, -0.0000511600000000, 0.0002141500000000 ] - [ -0.0059634600000000, 0.0044729600000000, 0.0141015600000000 ] - [ 0.0004834500000000, 0.0001313800000000, -0.0002614600000000 ] - [ 0.0008309500000000, 0.0002030300000000, 0.0000990000000000 ] - [ -0.0143664200000000, 0.0015684800000000, -0.0001103300000000 ] - [ -0.0003093600000000, -0.0000749100000000, 0.0004067900000000 ] - [ -0.0008121100000000, -0.0004028400000000, -0.0024044800000000 ] - [ 0.0714056100000000, -0.2929119300000000, -0.0227912600000000 ] - [ -0.0003447700000000, 0.0002620700000000, -0.0001928100000000 ] - [ -0.0000048000000000, -0.0023579400000000, -0.0025756700000000 ] - [ 0.0004521900000000, 0.0005504000000000, 0.0001720200000000 ] - [ -0.0001015800000000, -0.0008127500000000, 0.0000218200000000 ] - [ 0.0011055400000000, 0.0272846500000000, -0.0081497900000000 ] - [ 0.0010552000000000, 0.0009705200000000, -0.0023830800000000 ] - [ 0.0002871800000000, -0.0002337100000000, 0.0001955300000000 ] - [ 0.0088567900000000, 0.0052282600000000, -0.0012973800000000 ] - [ 0.0006089000000000, -0.0001727100000000, -0.0001940800000000 ] - [ 0.0014187100000000, -0.0006621300000000, 0.0007625900000000 ] - [ -0.0008369500000000, 0.0005126200000000, -0.0002932200000000 ] - [ -0.0009330500000000, -0.0012182500000000, -0.0025275300000000 ] - [ 0.0009581700000000, 0.0005520800000000, 0.0009735300000000 ] - [ 0.0003527300000000, 0.0004259700000000, -0.0002297800000000 ] - [ -0.0006123200000000, 0.0005461600000000, 0.0003074900000000 ] - [ 0.0001394600000000, -0.0000208000000000, -0.0004088000000000 ] - [ -0.0016125900000000, 0.0000743000000000, 0.0015660600000000 ] - [ 0.0001109700000000, -0.0000062100000000, -0.0000499400000000 ] - [ 0.0010629400000000, 0.0016713000000000, -0.0007975300000000 ] - [ -0.0003037100000000, 0.0008425000000000, 0.0004110800000000 ] - [ 0.0002015000000000, 0.0004702400000000, -0.0004135300000000 ] - [ -0.0000876200000000, -0.0007000300000000, -0.0014105600000000 ] - [ -0.0005044600000000, -0.0005224100000000, 0.0027237600000000 ] - [ -0.0002471600000000, -0.0003000900000000, -0.0002878600000000 ] - [ 0.0002520400000000, 0.0008337300000000, 0.0001668100000000 ] - [ -0.0005092600000000, -0.0023824300000000, 0.0006282700000000 ] - [ -0.0010905300000000, 0.0047457300000000, 0.0000427300000000 ] - [ -0.0006871900000000, 0.0054488300000000, 0.0001993800000000 ] - [ 0.0000011900000000, -0.0003016400000000, -0.0004330800000000 ] - [ 0.0000729500000000, 0.0008797200000000, 0.0004071200000000 ] - [ -0.0004522700000000, 0.0000022200000000, 0.0001811900000000 ] - [ -0.0000024700000000, -0.0003644600000000, 0.0001383500000000 ] - [ -0.0012610700000000, 0.0031925300000000, -0.0006121000000000 ] - [ -0.0000056900000000, -0.0001428500000000, 0.0000347200000000 ] - [ 0.0000794600000000, 0.0021804300000000, 0.0002186100000000 ] - [ 0.0002155500000000, 0.0009208200000000, -0.0000552400000000 ] - [ -0.0017345400000000, -0.0031009000000000, -0.0012745200000000 ] - [ -0.0000488100000000, -0.0002173800000000, 0.0001178500000000 ] - [ 0.0010680600000000, -0.0023966300000000, -0.0010916100000000 ] - [ -0.0013018900000000, 0.0025328800000000, -0.0004126600000000 ] - [ 0.0003145000000000, -0.0019435900000000, 0.0007102400000000 ] - [ 0.0001966900000000, 0.0002525000000000, 0.0002000600000000 ] - [ -0.0000914600000000, -0.0005923800000000, 0.0000728200000000 ] - [ 0.0246127700000000, 0.0436146600000000, -0.0079395600000000 ] - [ -0.0004684200000000, -0.0006284000000000, 0.0009399600000000 ] - [ -0.0035933000000000, 0.0053143000000000, -0.0032625800000000 ] - [ 0.0005834700000000, -0.0000898100000000, -0.0002842300000000 ] - [ -0.0003154200000000, 0.0002090300000000, -0.0006394400000000 ] - [ 0.0037424000000000, -0.0033311700000000, -0.0030529500000000 ] - [ -0.0004040900000000, 0.0004278400000000, -0.0001796200000000 ] - [ 0.0011218800000000, -0.0013260300000000, 0.0008709000000000 ] - [ -0.0013382500000000, -0.0000620600000000, 0.0098562300000000 ] - [ 0.0007927400000000, 0.0011016600000000, -0.0006878900000000 ] - [ -0.0003507800000000, -0.0002082800000000, 0.0009206800000000 ] - [ 0.0004097500000000, 0.0005497300000000, -0.0002099800000000 ] - [ -0.0783370600000000, 0.1862798800000000, 0.0272017900000000 ] - [ -0.0002994200000000, -0.0003501300000000, -0.0002503700000000 ] - [ -0.0015811100000000, 0.0011544000000000, 0.0110821000000000 ] - [ -0.0002225200000000, -0.0002760500000000, -0.0000494600000000 ] - [ 0.0003705700000000, -0.0003446500000000, 0.0006814000000000 ] - [ 0.0006197800000000, -0.0012942000000000, -0.0014865800000000 ] - [ -0.0001437100000000, 0.0006456600000000, 0.0014843900000000 ] - [ -0.0022435100000000, -0.0068710600000000, -0.0014433100000000 ] - [ 0.0059301600000000, -0.0055740200000000, -0.0074500100000000 ] - [ -0.0007712800000000, 0.0034844700000000, 0.0007651800000000 ] - [ -0.0001095800000000, -0.0009510700000000, -0.0009378500000000 ] - [ 0.0000840000000000, -0.0002386700000000, 0.0000166000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014227400000000, -0.0027836800000000, -0.0019406600000000 ] - [ -0.0005757500000000, 0.0005132200000000, 0.0010654000000000 ] - [ 0.0008244400000000, 0.0004479700000000, -0.0009409500000000 ] - [ -0.0007795500000000, 0.0003808000000000, 0.0001550500000000 ] - [ 0.0006012100000000, -0.0114305100000000, -0.0111186800000000 ] - [ -0.0000578000000000, 0.0005382800000000, 0.0012778000000000 ] - [ -0.0002310800000000, -0.0001042700000000, -0.0005642600000000 ] - [ 0.0002493200000000, -0.0002279700000000, -0.0003219300000000 ] - [ 0.0042719500000000, -0.0111651800000000, 0.0118224600000000 ] - [ -0.0003476000000000, -0.0000760000000000, 0.0007216600000000 ] - [ 0.0053379000000000, -0.0043769100000000, -0.0134203800000000 ] - [ 0.0002526100000000, -0.0000018500000000, -0.0006733300000000 ] - [ -0.0001233600000000, -0.0000152700000000, -0.0009406400000000 ] - [ 0.0138398200000000, -0.0013304700000000, 0.0010041400000000 ] - [ -0.0004049800000000, -0.0001259100000000, 0.0004503800000000 ] - [ 0.0015200700000000, 0.0001941300000000, 0.0015435200000000 ] - [ -0.0785328200000000, 0.2991285300000000, 0.0258548400000000 ] - [ -0.0005406500000000, -0.0009044400000000, -0.0002275200000000 ] - [ -0.0008750200000000, 0.0029852200000000, 0.0021665300000000 ] - [ 0.0004332100000000, 0.0000843600000000, 0.0002493500000000 ] - [ -0.0000815200000000, -0.0002329400000000, -0.0000075000000000 ] - [ -0.0005463000000000, -0.0278100700000000, 0.0087368100000000 ] - [ -0.0016754100000000, -0.0012552000000000, 0.0020390600000000 ] - [ 0.0003373300000000, -0.0000458700000000, 0.0001462400000000 ] - [ -0.0104138600000000, -0.0060851900000000, 0.0007930300000000 ] - [ 0.0009358800000000, -0.0006787500000000, 0.0006820600000000 ] - [ 0.0001484400000000, 0.0015379900000000, -0.0002522400000000 ] - [ -0.0007053300000000, 0.0003337400000000, -0.0001904900000000 ] - [ 0.0001577100000000, 0.0003483400000000, 0.0022161900000000 ] - [ -0.0001862700000000, -0.0014387800000000, -0.0006689500000000 ] - [ 0.0004217200000000, 0.0004559600000000, 0.0005377600000000 ] - [ -0.0001590700000000, 0.0003390100000000, -0.0006115600000000 ] - [ 0.0000768400000000, -0.0000191800000000, -0.0005826000000000 ] - [ 0.0013821200000000, -0.0000930800000000, -0.0005933900000000 ] - [ -0.0003303000000000, 0.0000387900000000, 0.0010250900000000 ] - [ -0.0008455900000000, -0.0016450300000000, -0.0001814600000000 ] - [ -0.0000189400000000, 0.0003876500000000, 0.0009572800000000 ] - [ 0.0001257900000000, 0.0007602100000000, -0.0009494000000000 ] - [ 0.0004150700000000, -0.0005310800000000, 0.0000431300000000 ] - [ 0.0002029300000000, -0.0007056100000000, -0.0013539400000000 ] - [ -0.0001787200000000, 0.0006090700000000, -0.0000154900000000 ] - [ 0.0001747900000000, -0.0005220900000000, 0.0001439900000000 ] - [ 0.0009454400000000, 0.0020843500000000, -0.0003285900000000 ] - [ 0.0006612300000000, -0.0050603300000000, -0.0003289400000000 ] - [ 0.0004924200000000, -0.0044095300000000, -0.0001899800000000 ] - [ 0.0001742200000000, 0.0013727400000000, 0.0004144700000000 ] - [ 0.0001134400000000, -0.0019252100000000, -0.0004219500000000 ] - [ -0.0001784700000000, 0.0002853000000000, -0.0005273800000000 ] - [ 0.0000165100000000, 0.0002992200000000, -0.0001159000000000 ] - [ 0.0011981800000000, -0.0032582500000000, 0.0005905700000000 ] - [ -0.0000068600000000, 0.0002095600000000, -0.0000599200000000 ] - [ -0.0000616800000000, -0.0021184600000000, -0.0002077100000000 ] - [ -0.0000762600000000, -0.0001407800000000, -0.0000859400000000 ] - [ 0.0016145200000000, 0.0038931800000000, 0.0014318200000000 ] - [ -0.0000889900000000, -0.0005631800000000, 0.0000222300000000 ] - [ -0.0009321400000000, 0.0016189900000000, 0.0009464300000000 ] - [ 0.0010936600000000, -0.0021424800000000, 0.0004493300000000 ] - [ -0.0000940600000000, 0.0023375200000000, -0.0007317100000000 ] - [ 0.0000327100000000, -0.0006422500000000, -0.0002217400000000 ] - [ -0.0001362000000000, 0.0002047100000000, -0.0000537300000000 ] - [ -0.0217372400000000, -0.0406988700000000, 0.0066708200000000 ] - [ -0.0006756100000000, 0.0003750200000000, -0.0002217300000000 ] - [ 0.0024591000000000, -0.0050982800000000, 0.0039670500000000 ] - [ 0.0005607800000000, 0.0003438100000000, -0.0004367500000000 ] - [ 0.0008518000000000, -0.0005341200000000, 0.0011577500000000 ] - [ -0.0042766200000000, 0.0030183300000000, 0.0025426600000000 ] - [ -0.0001321300000000, -0.0001050500000000, -0.0003371300000000 ] - [ -0.0005801700000000, 0.0016525700000000, -0.0003561800000000 ] - [ 0.0017885000000000, -0.0001288700000000, -0.0099852600000000 ] - [ -0.0012150100000000, -0.0012273600000000, 0.0007530800000000 ] - [ -0.0000848800000000, 0.0003392100000000, -0.0008620400000000 ] - [ 0.0000234800000000, -0.0004191600000000, 0.0001455300000000 ] - [ 0.0840946600000000, -0.1954626500000000, -0.0296592900000000 ] - [ 0.0005599200000000, 0.0005834000000000, 0.0006521000000000 ] - [ 0.0018315900000000, -0.0013604400000000, -0.0107004700000000 ] - [ -0.0000312800000000, 0.0000409000000000, -0.0003562000000000 ] - [ 0.0000675300000000, -0.0004706000000000, 0.0002447600000000 ] - [ -0.0010695000000000, 0.0004582300000000, 0.0005503000000000 ] - [ -0.0002963900000000, 0.0001652200000000, -0.0024179000000000 ] - [ 0.0027276000000000, 0.0077172500000000, 0.0023916200000000 ] - [ -0.0057582500000000, 0.0066560500000000, 0.0070372400000000 ] - [ 0.0005711800000000, -0.0024485900000000, -0.0003530900000000 ] - [ -0.0000841900000000, -0.0001047800000000, 0.0013378400000000 ] - [ 0.0001154600000000, -0.0008142200000000, -0.0004224600000000 ]- atom: 17 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ -0.0018214100000000, 0.0011354000000000, 0.0005078100000000 ] - [ -0.0013405600000000, -0.0010469600000000, 0.0002469100000000 ] - [ 0.0003857300000000, 0.0002331600000000, 0.0012450300000000 ] - [ -0.0007534400000000, 0.0003264400000000, 0.0005715700000000 ] - [ 0.0014593100000000, 0.0035307300000000, 0.0007335800000000 ] - [ -0.0009744700000000, -0.0001719500000000, 0.0003302100000000 ] - [ -0.0003113000000000, 0.0000002200000000, 0.0022841900000000 ] - [ -0.0000846700000000, -0.0003517900000000, 0.0002738500000000 ] - [ 0.0018172900000000, -0.0019457000000000, -0.0020076300000000 ] - [ -0.0003520600000000, -0.0000559500000000, 0.0015401700000000 ] - [ -0.0044830800000000, 0.0144253700000000, 0.0070051800000000 ] - [ 0.0004913700000000, 0.0001047000000000, 0.0004891500000000 ] - [ 0.0007893600000000, 0.0001735400000000, -0.0000592900000000 ] - [ -0.0030048300000000, 0.0036759600000000, -0.0056184200000000 ] - [ -0.0002724300000000, -0.0001086900000000, 0.0010579100000000 ] - [ 0.0011818900000000, -0.0004364200000000, -0.0004391100000000 ] - [ 0.0772128100000000, -0.0578178800000000, -0.0446970400000000 ] - [ -0.0004718200000000, -0.0002878500000000, 0.0001153400000000 ] - [ 0.0003922300000000, -0.0019468100000000, 0.0016414400000000 ] - [ 0.0004343000000000, 0.0003635700000000, 0.0007541700000000 ] - [ -0.0000654000000000, -0.0004131300000000, 0.0007368100000000 ] - [ 0.0053198300000000, -0.0094743500000000, -0.0058603300000000 ] - [ -0.0001494800000000, -0.0003119100000000, 0.0003264300000000 ] - [ 0.0000553200000000, 0.0000033500000000, 0.0010346700000000 ] - [ -0.0057724700000000, -0.0039216200000000, -0.0015347800000000 ] - [ 0.0012446700000000, -0.0007418800000000, 0.0011083300000000 ] - [ 0.0023723400000000, 0.0006569000000000, -0.0001980900000000 ] - [ -0.0007892500000000, 0.0003355800000000, 0.0003826300000000 ] - [ 0.0005651800000000, -0.0010308800000000, 0.0022898100000000 ] - [ -0.0003882400000000, -0.0002703300000000, -0.0019942600000000 ] - [ 0.0006236600000000, 0.0005216500000000, 0.0013637300000000 ] - [ -0.0003368800000000, 0.0005260600000000, 0.0003126200000000 ] - [ -0.0002088900000000, 0.0000854600000000, 0.0005782600000000 ] - [ -0.0006274900000000, 0.0001420200000000, 0.0001886500000000 ] - [ -0.0004839400000000, 0.0000939000000000, 0.0017500900000000 ] - [ -0.0011757100000000, 0.0000747200000000, -0.0014039100000000 ] - [ -0.0002663500000000, 0.0007870600000000, 0.0010764900000000 ] - [ 0.0003222600000000, 0.0002350100000000, 0.0006187400000000 ] - [ -0.0014904100000000, -0.0013415400000000, -0.0021954500000000 ] - [ 0.0000813800000000, -0.0000585100000000, 0.0020162000000000 ] - [ -0.0004174400000000, -0.0000416600000000, 0.0003200900000000 ] - [ 0.0001677800000000, 0.0004418800000000, 0.0009739200000000 ] - [ -0.0020263600000000, -0.0004078100000000, 0.0003004600000000 ] - [ -0.0002943800000000, 0.0000890000000000, 0.0004091800000000 ] - [ -0.0007850500000000, 0.0007036600000000, -0.0009609400000000 ] - [ 0.0002738100000000, 0.0007607800000000, 0.0008498400000000 ] - [ 0.0001845800000000, -0.0002570300000000, -0.0003463000000000 ] - [ -0.0006613400000000, 0.0003777900000000, 0.0002506000000000 ] - [ 0.0001924700000000, 0.0000168300000000, -0.0006359200000000 ] - [ -0.0018989500000000, 0.0000318900000000, 0.0019974500000000 ] - [ 0.0000495000000000, 0.0000484700000000, -0.0006333700000000 ] - [ 0.0014713800000000, 0.0006731700000000, -0.0008842600000000 ] - [ 0.0003738800000000, 0.0003947600000000, -0.0008776600000000 ] - [ 0.0003278900000000, 0.0006886700000000, 0.0015368000000000 ] - [ -0.0000580400000000, -0.0003604100000000, -0.0005451800000000 ] - [ 0.0013486600000000, -0.0014770200000000, -0.0008110800000000 ] - [ -0.0020221100000000, 0.0004105900000000, 0.0002802500000000 ] - [ -0.0005793700000000, -0.0001114000000000, 0.0005171600000000 ] - [ -0.0000644800000000, -0.0001206700000000, -0.0005478900000000 ] - [ -0.0002854800000000, -0.0002720000000000, -0.0004752100000000 ] - [ -0.0116193500000000, -0.0198517400000000, 0.0071125600000000 ] - [ -0.0008754600000000, -0.0002070000000000, -0.0001989900000000 ] - [ -0.0044987400000000, 0.0009565900000000, -0.0039893200000000 ] - [ 0.0004716600000000, 0.0001226500000000, -0.0013179500000000 ] - [ -0.0003323700000000, -0.0004482000000000, -0.0010899700000000 ] - [ 0.0023642400000000, -0.0005067800000000, 0.0007757700000000 ] - [ -0.0004232200000000, 0.0000590700000000, -0.0016037700000000 ] - [ -0.0000363100000000, 0.0001148100000000, 0.0005815100000000 ] - [ 0.0003382200000000, 0.0032333200000000, -0.0025069200000000 ] - [ 0.0017735800000000, -0.0008325700000000, -0.0000034700000000 ] - [ -0.0002586600000000, -0.0000840500000000, -0.0011460200000000 ] - [ 0.0005809300000000, 0.0002457500000000, -0.0009095200000000 ] - [ -0.0572892700000000, 0.0672823400000000, 0.0451620100000000 ] - [ 0.0000761600000000, -0.0000087600000000, -0.0008708500000000 ] - [ -0.0018802900000000, 0.0024114900000000, 0.0007190700000000 ] - [ 0.0000121600000000, -0.0003274400000000, -0.0017206800000000 ] - [ 0.0004577000000000, -0.0004167200000000, -0.0013723300000000 ] - [ -0.0003250300000000, -0.0012342500000000, -0.0007160300000000 ] - [ -0.0003157700000000, 0.0004253200000000, -0.0035016400000000 ] - [ 0.0023158100000000, 0.0018891900000000, 0.0042440500000000 ] - [ 0.0007179400000000, -0.0019188800000000, -0.0024256000000000 ] - [ 0.0035481400000000, 0.0026986100000000, 0.0011866400000000 ] - [ 0.0003327300000000, -0.0004923300000000, -0.0023503400000000 ] - [ 0.0004438800000000, -0.0003965500000000, -0.0013478000000000 ]- atom: 17 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ 0.0005056800000000, -0.0017820900000000, -0.0004809700000000 ] - [ 0.0026397500000000, 0.0003828700000000, -0.0002742000000000 ] - [ 0.0009274300000000, 0.0004195300000000, -0.0012631100000000 ] - [ -0.0005636400000000, 0.0003286300000000, -0.0005542700000000 ] - [ -0.0011142600000000, -0.0031041600000000, -0.0017993300000000 ] - [ 0.0006438800000000, 0.0005793000000000, 0.0007211300000000 ] - [ -0.0000194400000000, -0.0004088300000000, -0.0012344000000000 ] - [ 0.0004180700000000, -0.0000557900000000, -0.0013335200000000 ] - [ -0.0010575000000000, 0.0017857800000000, 0.0010801200000000 ] - [ -0.0004029400000000, -0.0000927600000000, -0.0005856200000000 ] - [ 0.0037988700000000, -0.0145706900000000, -0.0062102700000000 ] - [ 0.0002628400000000, 0.0000432600000000, -0.0014408300000000 ] - [ -0.0000755100000000, 0.0000131900000000, -0.0007755000000000 ] - [ 0.0022950200000000, -0.0035105100000000, 0.0064998300000000 ] - [ -0.0004385100000000, -0.0000735300000000, -0.0002294700000000 ] - [ -0.0004809700000000, 0.0002645400000000, -0.0003755300000000 ] - [ -0.0764470100000000, 0.0584006600000000, 0.0444289200000000 ] - [ -0.0004208800000000, -0.0003551900000000, -0.0005425200000000 ] - [ -0.0012922500000000, 0.0026123800000000, -0.0020897400000000 ] - [ 0.0004593800000000, 0.0002773100000000, -0.0003274200000000 ] - [ -0.0000957000000000, -0.0006450100000000, -0.0007070100000000 ] - [ -0.0046922200000000, 0.0097793400000000, 0.0062055400000000 ] - [ -0.0004899300000000, -0.0000143500000000, -0.0006872700000000 ] - [ 0.0005853500000000, -0.0003298400000000, -0.0006803800000000 ] - [ 0.0042334200000000, 0.0031134200000000, 0.0010670300000000 ] - [ 0.0003087900000000, -0.0000952600000000, -0.0006238300000000 ] - [ -0.0008261500000000, 0.0001731300000000, 0.0006856500000000 ] - [ -0.0007647300000000, 0.0004984700000000, -0.0008631900000000 ] - [ -0.0013668500000000, 0.0001308500000000, -0.0025855300000000 ] - [ 0.0011976500000000, -0.0006227200000000, 0.0022970700000000 ] - [ 0.0001830000000000, 0.0003712600000000, -0.0010573800000000 ] - [ -0.0004654700000000, 0.0003633200000000, -0.0006164700000000 ] - [ 0.0004119900000000, -0.0001279300000000, -0.0015629500000000 ] - [ 0.0004322300000000, -0.0002087700000000, 0.0008386300000000 ] - [ 0.0002842600000000, -0.0000476600000000, -0.0007580900000000 ] - [ 0.0013614800000000, -0.0000174100000000, 0.0004040800000000 ] - [ -0.0000315300000000, 0.0004193500000000, 0.0002771600000000 ] - [ -0.0000137800000000, 0.0009815000000000, -0.0019745400000000 ] - [ 0.0017646100000000, 0.0001381000000000, 0.0008290800000000 ] - [ -0.0003962800000000, -0.0011512400000000, -0.0006657700000000 ] - [ -0.0000283000000000, 0.0003461100000000, -0.0006509800000000 ] - [ 0.0002790900000000, -0.0001482400000000, -0.0006418500000000 ] - [ 0.0024632600000000, 0.0001088900000000, 0.0000333300000000 ] - [ -0.0001505100000000, -0.0003872500000000, -0.0007536700000000 ] - [ 0.0006460200000000, 0.0003816100000000, 0.0010122400000000 ] - [ -0.0001076900000000, 0.0002932000000000, -0.0008744400000000 ] - [ -0.0000344800000000, -0.0008120700000000, 0.0003141400000000 ] - [ 0.0000220400000000, -0.0000518900000000, -0.0006125500000000 ] - [ -0.0001834600000000, -0.0000804700000000, 0.0006577900000000 ] - [ 0.0018693100000000, -0.0000806800000000, -0.0020478600000000 ] - [ -0.0000597900000000, 0.0000170700000000, 0.0006145700000000 ] - [ -0.0014759200000000, -0.0006086400000000, 0.0009080600000000 ] - [ -0.0002327100000000, 0.0003829500000000, 0.0007316800000000 ] - [ -0.0004741300000000, 0.0000853200000000, -0.0013967600000000 ] - [ -0.0000822700000000, -0.0004181200000000, 0.0006897300000000 ] - [ -0.0012153800000000, 0.0007028300000000, 0.0006661800000000 ] - [ 0.0017932400000000, -0.0000186500000000, -0.0002499400000000 ] - [ 0.0008103200000000, 0.0004973100000000, -0.0005290400000000 ] - [ 0.0002940800000000, -0.0002697100000000, 0.0005295600000000 ] - [ 0.0000580100000000, -0.0001158400000000, 0.0004944300000000 ] - [ 0.0126403300000000, 0.0197637100000000, -0.0075731400000000 ] - [ -0.0002621000000000, -0.0000506400000000, 0.0009147400000000 ] - [ 0.0033822900000000, -0.0007111200000000, 0.0047277200000000 ] - [ 0.0006650500000000, 0.0001335900000000, 0.0006056000000000 ] - [ 0.0008648800000000, 0.0001247800000000, 0.0016076300000000 ] - [ -0.0028819600000000, 0.0001765000000000, -0.0013120800000000 ] - [ -0.0001107500000000, 0.0002647500000000, 0.0010857300000000 ] - [ 0.0005727700000000, 0.0002077400000000, -0.0000669600000000 ] - [ 0.0000799500000000, -0.0033139000000000, 0.0024631500000000 ] - [ -0.0021946200000000, 0.0007050100000000, 0.0000647200000000 ] - [ -0.0001669200000000, 0.0002073400000000, 0.0012073200000000 ] - [ -0.0001612800000000, -0.0001219100000000, 0.0008521600000000 ] - [ 0.0571830500000000, -0.0681712900000000, -0.0450530600000000 ] - [ 0.0001905800000000, 0.0002501700000000, 0.0012778900000000 ] - [ 0.0021740900000000, -0.0026709100000000, -0.0003617900000000 ] - [ -0.0002788300000000, 0.0000864600000000, 0.0013193300000000 ] - [ -0.0000097900000000, -0.0004013000000000, 0.0023083500000000 ] - [ -0.0001161700000000, 0.0004146100000000, -0.0002256300000000 ] - [ -0.0001337000000000, 0.0003937000000000, 0.0025589300000000 ] - [ -0.0018520800000000, -0.0010738000000000, -0.0033019800000000 ] - [ -0.0005495400000000, 0.0029487300000000, 0.0020292300000000 ] - [ -0.0037055900000000, -0.0016333200000000, -0.0007667300000000 ] - [ -0.0005134700000000, -0.0005590200000000, 0.0027665300000000 ] - [ -0.0002650700000000, -0.0006560600000000, 0.0009425900000000 ]- atom: 21 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ -0.0011334700000000, -0.0003156800000000, -0.0001619200000000 ] - [ 0.0003813000000000, -0.0001036700000000, 0.0003941100000000 ] - [ 0.0018511000000000, 0.0002157000000000, 0.0009836300000000 ] - [ 0.0010510400000000, 0.0001710600000000, 0.0004789800000000 ] - [ 0.0002211800000000, 0.0002517400000000, -0.0006444400000000 ] - [ 0.0000640700000000, 0.0001947100000000, 0.0008332700000000 ] - [ -0.0009289700000000, -0.0002070600000000, 0.0012031200000000 ] - [ 0.0018313600000000, -0.0007537100000000, -0.0025255000000000 ] - [ 0.0002845300000000, -0.0001004200000000, -0.0002797300000000 ] - [ 0.0013936400000000, 0.0021959600000000, 0.0012844000000000 ] - [ -0.0003364600000000, 0.0000720800000000, 0.0006289900000000 ] - [ 0.0028928000000000, -0.0007374400000000, 0.0005853500000000 ] - [ 0.0026689300000000, 0.0002323400000000, -0.0005956200000000 ] - [ -0.0001922700000000, 0.0000823000000000, 0.0004329500000000 ] - [ 0.0002905000000000, 0.0031681900000000, -0.0012641300000000 ] - [ -0.0001531200000000, -0.0001602000000000, -0.0002326400000000 ] - [ 0.0004366600000000, -0.0003376000000000, 0.0002290400000000 ] - [ 0.0002330200000000, -0.0003011800000000, 0.0003029500000000 ] - [ -0.0004990400000000, 0.0002545600000000, -0.0000282300000000 ] - [ 0.0015203900000000, 0.0009130800000000, -0.0000098400000000 ] - [ -0.0830718700000000, -0.0577475500000000, -0.0458179700000000 ] - [ 0.0002568900000000, 0.0001570700000000, 0.0001558000000000 ] - [ -0.0003455600000000, -0.0002794100000000, 0.0005248800000000 ] - [ 0.0021730500000000, 0.0006836600000000, -0.0010537600000000 ] - [ -0.0006422000000000, -0.0003811400000000, -0.0002031500000000 ] - [ 0.0019144100000000, -0.0007176500000000, 0.0000553100000000 ] - [ 0.0005042500000000, 0.0003454400000000, 0.0001808600000000 ] - [ -0.0076314200000000, -0.0093884700000000, -0.0015984800000000 ] - [ -0.0006450700000000, -0.0007506500000000, -0.0007978500000000 ] - [ 0.0005375200000000, -0.0004965000000000, 0.0004091900000000 ] - [ -0.0031937000000000, 0.0044270500000000, 0.0049618500000000 ] - [ -0.0004530900000000, 0.0005104700000000, -0.0008007100000000 ] - [ 0.0083630500000000, 0.0146103300000000, -0.0013972800000000 ] - [ -0.0000045000000000, -0.0000206300000000, 0.0003794200000000 ] - [ -0.0010301000000000, -0.0023161600000000, -0.0010433200000000 ] - [ 0.0000636300000000, 0.0000261800000000, -0.0004680800000000 ] - [ 0.0003245600000000, 0.0004066100000000, 0.0001840900000000 ] - [ 0.0028700700000000, -0.0030061600000000, 0.0042105400000000 ] - [ 0.0002012100000000, -0.0005235300000000, -0.0005047500000000 ] - [ -0.0013083800000000, -0.0004342300000000, -0.0004459400000000 ] - [ 0.0003716000000000, 0.0002192000000000, -0.0005536300000000 ] - [ 0.0001747100000000, 0.0000188700000000, 0.0007903600000000 ] - [ 0.0001929100000000, -0.0001093700000000, 0.0003661600000000 ] - [ -0.0005072700000000, -0.0000644200000000, -0.0003610100000000 ] - [ -0.0000069800000000, 0.0005106400000000, 0.0000592700000000 ] - [ 0.0014656300000000, -0.0011616700000000, -0.0014817400000000 ] - [ -0.0000530000000000, -0.0004329000000000, -0.0001298300000000 ] - [ 0.0008906800000000, -0.0004788900000000, 0.0012046900000000 ] - [ 0.0008761900000000, 0.0001671200000000, -0.0006812400000000 ] - [ 0.0000823500000000, 0.0000063600000000, -0.0000555000000000 ] - [ -0.0018579400000000, -0.0009753000000000, -0.0005059100000000 ] - [ -0.0001592300000000, -0.0000324700000000, -0.0000239500000000 ] - [ 0.0026407300000000, 0.0006532700000000, 0.0014318700000000 ] - [ 0.0000172200000000, 0.0003477600000000, 0.0000563500000000 ] - [ -0.0025703400000000, 0.0001398400000000, -0.0003087200000000 ] - [ -0.0001209500000000, -0.0003256100000000, -0.0001904400000000 ] - [ -0.0003799900000000, 0.0001731500000000, 0.0001490100000000 ] - [ -0.0000729800000000, 0.0001983900000000, 0.0000594300000000 ] - [ 0.0011841200000000, 0.0000971400000000, 0.0021276300000000 ] - [ 0.0006423300000000, -0.0006016200000000, 0.0005648200000000 ] - [ 0.0004592900000000, -0.0000824900000000, -0.0003663500000000 ] - [ -0.0023739600000000, -0.0004307800000000, -0.0005357400000000 ] - [ -0.0003839300000000, 0.0000873800000000, 0.0000417300000000 ] - [ -0.0023362200000000, 0.0028102900000000, 0.0006570500000000 ] - [ -0.0016593900000000, 0.0005464100000000, 0.0060359400000000 ] - [ -0.0004203800000000, -0.0001510500000000, -0.0003009300000000 ] - [ 0.0151473700000000, -0.0240417200000000, 0.0075497500000000 ] - [ 0.0005804100000000, 0.0000726200000000, 0.0004020700000000 ] - [ 0.0007754600000000, -0.0001046400000000, 0.0001375400000000 ] - [ 0.0000484200000000, 0.0001063300000000, -0.0008052300000000 ] - [ -0.0019183800000000, -0.0001157700000000, -0.0012971200000000 ] - [ -0.0009494800000000, -0.0003043900000000, 0.0013081100000000 ] - [ -0.0002278800000000, 0.0001081200000000, -0.0002972100000000 ] - [ -0.0033520500000000, 0.0012526100000000, -0.0017343500000000 ] - [ 0.0006167000000000, 0.0001955000000000, -0.0003774800000000 ] - [ -0.0033289300000000, -0.0035792200000000, 0.0007746800000000 ] - [ 0.0680362300000000, 0.0718501000000000, 0.0282388200000000 ] - [ -0.0000002400000000, -0.0003422100000000, 0.0001180200000000 ] - [ -0.0004996800000000, 0.0025425100000000, 0.0010589000000000 ] - [ 0.0001203400000000, 0.0003478500000000, 0.0002850600000000 ] - [ 0.0003924700000000, 0.0000579100000000, 0.0004275900000000 ] - [ -0.0001258400000000, 0.0003935500000000, -0.0002730900000000 ] - [ 0.0007981500000000, 0.0011385700000000, -0.0029047700000000 ] - [ -0.0029681900000000, -0.0005464700000000, 0.0007939800000000 ]- atom: 21 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ -0.0001810600000000, -0.0003364700000000, 0.0001720000000000 ] - [ 0.0009367400000000, -0.0005491100000000, -0.0004079000000000 ] - [ -0.0005311500000000, 0.0004313700000000, -0.0009854000000000 ] - [ -0.0023783700000000, 0.0004808300000000, -0.0004706500000000 ] - [ 0.0000955400000000, 0.0001545400000000, -0.0004033500000000 ] - [ -0.0003796800000000, 0.0002123100000000, 0.0002132000000000 ] - [ 0.0006089500000000, -0.0002033900000000, -0.0001587500000000 ] - [ -0.0015166000000000, 0.0003528000000000, 0.0014833700000000 ] - [ 0.0004810200000000, -0.0000580700000000, -0.0007082200000000 ] - [ -0.0021600500000000, -0.0023667000000000, -0.0003085200000000 ] - [ -0.0004245400000000, 0.0000853200000000, 0.0003556100000000 ] - [ -0.0021301400000000, 0.0009063300000000, -0.0015785900000000 ] - [ -0.0019476200000000, -0.0000653000000000, -0.0002125000000000 ] - [ -0.0005369100000000, 0.0000970100000000, 0.0003869500000000 ] - [ -0.0010027500000000, -0.0033709200000000, 0.0020942700000000 ] - [ 0.0008894800000000, -0.0000172500000000, -0.0005844200000000 ] - [ 0.0004400200000000, -0.0003047800000000, 0.0002064500000000 ] - [ -0.0011037400000000, -0.0003340900000000, -0.0007381900000000 ] - [ -0.0003806100000000, 0.0003993300000000, -0.0004062600000000 ] - [ -0.0006311800000000, -0.0002728400000000, 0.0004406400000000 ] - [ 0.0834304500000000, 0.0557267800000000, 0.0454018200000000 ] - [ 0.0003952300000000, 0.0001956600000000, 0.0002022900000000 ] - [ -0.0003068200000000, -0.0000756900000000, -0.0008882000000000 ] - [ -0.0015267400000000, -0.0010446000000000, 0.0014121400000000 ] - [ -0.0008994600000000, -0.0004261400000000, -0.0002670500000000 ] - [ -0.0003776400000000, -0.0000851700000000, 0.0004119900000000 ] - [ 0.0010286400000000, 0.0004546900000000, 0.0002877600000000 ] - [ 0.0061074700000000, 0.0102085800000000, 0.0011112000000000 ] - [ -0.0001721200000000, -0.0001456200000000, 0.0004979500000000 ] - [ 0.0002694200000000, -0.0003949500000000, -0.0001103500000000 ] - [ 0.0039315600000000, -0.0035310900000000, -0.0046495000000000 ] - [ -0.0003546000000000, 0.0003814200000000, 0.0005120800000000 ] - [ -0.0080328400000000, -0.0143917600000000, 0.0003644100000000 ] - [ -0.0001647100000000, -0.0000351700000000, 0.0005997800000000 ] - [ 0.0008375200000000, 0.0023765900000000, 0.0020363400000000 ] - [ 0.0001033300000000, 0.0000313800000000, -0.0005142900000000 ] - [ -0.0006352300000000, 0.0007923900000000, 0.0011507600000000 ] - [ -0.0025457200000000, 0.0041838800000000, -0.0055156900000000 ] - [ 0.0001080300000000, -0.0006667200000000, -0.0008190900000000 ] - [ 0.0010094100000000, -0.0007601700000000, 0.0017871400000000 ] - [ -0.0008266200000000, 0.0000972900000000, 0.0002116200000000 ] - [ 0.0002738300000000, 0.0002847000000000, -0.0004489600000000 ] - [ 0.0002629200000000, -0.0002126000000000, -0.0000218800000000 ] - [ 0.0000521400000000, -0.0002439600000000, 0.0000223200000000 ] - [ -0.0001463700000000, 0.0005300200000000, -0.0000248100000000 ] - [ -0.0013187600000000, 0.0022050700000000, 0.0014239900000000 ] - [ 0.0001979000000000, -0.0006004700000000, 0.0000900000000000 ] - [ -0.0015395000000000, 0.0008275400000000, -0.0015658500000000 ] - [ -0.0008624400000000, -0.0002354400000000, 0.0006927500000000 ] - [ -0.0000977200000000, -0.0000792000000000, 0.0000347300000000 ] - [ 0.0018432100000000, 0.0010429500000000, 0.0004816800000000 ] - [ 0.0001733700000000, 0.0001029200000000, 0.0000429500000000 ] - [ -0.0024877200000000, 0.0000985500000000, -0.0016424900000000 ] - [ -0.0001578500000000, 0.0004364400000000, 0.0000877500000000 ] - [ 0.0024233900000000, -0.0009209400000000, 0.0004484600000000 ] - [ 0.0002604500000000, -0.0004587600000000, 0.0000462300000000 ] - [ 0.0001502300000000, 0.0002155700000000, -0.0001286900000000 ] - [ 0.0003030700000000, 0.0001873900000000, -0.0000768500000000 ] - [ -0.0009630300000000, -0.0004883600000000, -0.0021431000000000 ] - [ -0.0008753500000000, 0.0002176000000000, -0.0005413800000000 ] - [ 0.0006870500000000, -0.0001741900000000, -0.0003573400000000 ] - [ 0.0012326100000000, 0.0001732100000000, 0.0012507400000000 ] - [ -0.0007648700000000, 0.0001644500000000, 0.0006833800000000 ] - [ 0.0034563100000000, -0.0025906500000000, -0.0013689300000000 ] - [ 0.0021998600000000, -0.0008640700000000, -0.0054859600000000 ] - [ -0.0001155300000000, -0.0001709600000000, -0.0002173600000000 ] - [ -0.0159208900000000, 0.0239574800000000, -0.0079793100000000 ] - [ -0.0000471500000000, 0.0002496900000000, 0.0001137500000000 ] - [ -0.0003465900000000, -0.0000199500000000, -0.0001958800000000 ] - [ -0.0004760200000000, -0.0002326600000000, 0.0008652600000000 ] - [ 0.0015149800000000, 0.0002498300000000, 0.0013591300000000 ] - [ 0.0013769300000000, 0.0004325800000000, -0.0013686100000000 ] - [ -0.0000299500000000, 0.0001166700000000, -0.0000951100000000 ] - [ 0.0035929600000000, -0.0010369500000000, 0.0021511800000000 ] - [ -0.0003611700000000, -0.0004307300000000, 0.0007763300000000 ] - [ 0.0030718400000000, 0.0033795200000000, -0.0011770000000000 ] - [ -0.0679762800000000, -0.0714836500000000, -0.0269093200000000 ] - [ -0.0004387200000000, -0.0004737200000000, -0.0010433900000000 ] - [ 0.0000903300000000, -0.0017143400000000, -0.0019874100000000 ] - [ 0.0003271200000000, 0.0004674300000000, 0.0006368300000000 ] - [ -0.0001991000000000, 0.0009921700000000, -0.0008250800000000 ] - [ -0.0000724100000000, 0.0006549900000000, 0.0006670800000000 ] - [ -0.0009905500000000, -0.0021826500000000, 0.0033084900000000 ] - [ 0.0031715700000000, -0.0005050100000000, -0.0011911800000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007194800000000, -0.0002282300000000, -0.0000681200000000 ] - [ 0.0010130800000000, -0.0000767900000000, 0.0007675500000000 ] - [ -0.0000888000000000, 0.0014405000000000, -0.0017443300000000 ] - [ 0.0003904000000000, 0.0000941800000000, 0.0008360500000000 ] - [ 0.0001884200000000, 0.0002805400000000, -0.0005884100000000 ] - [ -0.0002993700000000, 0.0002702800000000, 0.0010917800000000 ] - [ 0.0000939100000000, 0.0005268000000000, -0.0008412600000000 ] - [ -0.0012886900000000, -0.0009304200000000, 0.0012775400000000 ] - [ 0.0004147800000000, -0.0002192400000000, 0.0001615000000000 ] - [ 0.0026749300000000, 0.0028681800000000, 0.0019086000000000 ] - [ -0.0003407100000000, 0.0000322700000000, 0.0005220700000000 ] - [ -0.0002220400000000, -0.0003833600000000, -0.0019010400000000 ] - [ 0.0010220800000000, -0.0000102000000000, -0.0014510500000000 ] - [ -0.0003516000000000, 0.0000825600000000, 0.0006474900000000 ] - [ 0.0091978300000000, 0.0131960800000000, -0.0041077100000000 ] - [ 0.0000659600000000, -0.0002140700000000, 0.0004456800000000 ] - [ 0.0004868300000000, -0.0006110900000000, 0.0003663100000000 ] - [ -0.0011203000000000, 0.0010760300000000, -0.0009201000000000 ] - [ -0.0003462700000000, -0.0005284500000000, 0.0001123100000000 ] - [ 0.0015195300000000, 0.0052505200000000, 0.0006467600000000 ] - [ -0.0602584600000000, -0.3084248000000000, -0.0564103700000000 ] - [ 0.0003030000000000, 0.0002342000000000, 0.0004866200000000 ] - [ -0.0002160400000000, 0.0001042300000000, 0.0015682300000000 ] - [ 0.0021866300000000, -0.0001511400000000, -0.0007224000000000 ] - [ -0.0007555400000000, -0.0004676400000000, -0.0001412300000000 ] - [ -0.0014190700000000, 0.0006924700000000, 0.0003004100000000 ] - [ 0.0007182500000000, 0.0002451200000000, 0.0000612400000000 ] - [ -0.0081488200000000, 0.0282270400000000, 0.0018591700000000 ] - [ -0.0013663300000000, -0.0008460900000000, 0.0019540600000000 ] - [ 0.0004066500000000, -0.0004455100000000, 0.0001425800000000 ] - [ 0.0074168200000000, 0.0026510600000000, 0.0131503900000000 ] - [ -0.0004270200000000, 0.0005526200000000, -0.0010210400000000 ] - [ 0.0144675900000000, 0.0046554200000000, -0.0031992000000000 ] - [ -0.0001156700000000, -0.0000092500000000, 0.0003099200000000 ] - [ -0.0085476400000000, 0.0102844900000000, 0.0106425100000000 ] - [ -0.0000123300000000, 0.0000268800000000, -0.0002653600000000 ] - [ -0.0001484800000000, 0.0009185100000000, 0.0015195100000000 ] - [ -0.0058988900000000, 0.0061690400000000, -0.0084110000000000 ] - [ 0.0002575300000000, -0.0004377900000000, -0.0002703700000000 ] - [ -0.0003212300000000, -0.0013847600000000, -0.0006945200000000 ] - [ -0.0003677700000000, -0.0013735100000000, 0.0002318400000000 ] - [ 0.0007570200000000, 0.0049827700000000, 0.0003119600000000 ] - [ 0.0002584900000000, -0.0006208700000000, 0.0003477400000000 ] - [ -0.0000545000000000, 0.0007613500000000, -0.0005082800000000 ] - [ -0.0000665800000000, 0.0007609700000000, 0.0001277100000000 ] - [ -0.0016230600000000, -0.0024227900000000, 0.0005800300000000 ] - [ -0.0000048600000000, -0.0000205200000000, -0.0000843000000000 ] - [ 0.0000601100000000, -0.0006600800000000, -0.0007619800000000 ] - [ -0.0004068700000000, -0.0033522300000000, 0.0021138000000000 ] - [ 0.0000399800000000, 0.0001427200000000, -0.0001286800000000 ] - [ -0.0012113100000000, -0.0023752100000000, -0.0002883700000000 ] - [ -0.0000091000000000, 0.0003369000000000, 0.0000145900000000 ] - [ 0.0003334800000000, 0.0035052200000000, 0.0012627800000000 ] - [ -0.0000293500000000, 0.0002032200000000, -0.0000381100000000 ] - [ -0.0002833900000000, 0.0020383000000000, -0.0001443800000000 ] - [ -0.0000289200000000, -0.0008880600000000, -0.0000633200000000 ] - [ 0.0000123900000000, 0.0006361300000000, -0.0001756700000000 ] - [ 0.0002020800000000, -0.0002639100000000, -0.0000170100000000 ] - [ 0.0003889800000000, 0.0021050300000000, 0.0012010900000000 ] - [ 0.0004108800000000, -0.0024944100000000, -0.0004406400000000 ] - [ 0.0004597200000000, 0.0001579400000000, -0.0005976000000000 ] - [ -0.0005355400000000, -0.0018005200000000, -0.0009504300000000 ] - [ -0.0005288100000000, 0.0008499900000000, 0.0008966800000000 ] - [ 0.0097221400000000, -0.0008762400000000, -0.0034010600000000 ] - [ -0.0010606400000000, 0.0046915700000000, 0.0050098700000000 ] - [ -0.0003452200000000, -0.0003636300000000, -0.0004362400000000 ] - [ -0.0221681400000000, 0.0420943600000000, -0.0146375300000000 ] - [ 0.0003541200000000, -0.0002034300000000, -0.0003060700000000 ] - [ -0.0002246000000000, -0.0010113800000000, -0.0010351200000000 ] - [ -0.0002431300000000, 0.0002491400000000, 0.0003032200000000 ] - [ -0.0044409800000000, -0.0033738500000000, -0.0024688300000000 ] - [ 0.0004711500000000, 0.0007695000000000, 0.0013611500000000 ] - [ -0.0002521800000000, 0.0003461800000000, -0.0006073500000000 ] - [ -0.0002092000000000, 0.0004226300000000, 0.0028586100000000 ] - [ 0.0002931600000000, 0.0009762700000000, -0.0016189400000000 ] - [ -0.0100411800000000, -0.0059530100000000, -0.0015592400000000 ] - [ 0.0707511300000000, 0.2018371300000000, 0.0573036100000000 ] - [ -0.0000071100000000, -0.0006670200000000, 0.0002994800000000 ] - [ 0.0094099800000000, 0.0024691700000000, -0.0044757400000000 ] - [ 0.0003487600000000, 0.0002873400000000, 0.0003114100000000 ] - [ 0.0000934800000000, -0.0002732800000000, 0.0006218700000000 ] - [ -0.0003480100000000, 0.0007596600000000, -0.0007825800000000 ] - [ -0.0008604800000000, -0.0074121100000000, 0.0046330600000000 ] - [ 0.0005723900000000, 0.0005123900000000, -0.0022838300000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005837400000000, -0.0004277000000000, 0.0000856300000000 ] - [ 0.0002978800000000, -0.0005750200000000, -0.0007877500000000 ] - [ 0.0013994700000000, -0.0007880500000000, 0.0017320400000000 ] - [ -0.0017027800000000, 0.0005575500000000, -0.0008146300000000 ] - [ 0.0001365900000000, 0.0001217100000000, -0.0004661600000000 ] - [ -0.0000307100000000, 0.0001386100000000, -0.0000371700000000 ] - [ -0.0004214700000000, -0.0009348700000000, 0.0018881700000000 ] - [ 0.0016153900000000, 0.0005067100000000, -0.0023272100000000 ] - [ 0.0003403700000000, 0.0000709400000000, -0.0011087100000000 ] - [ -0.0034529400000000, -0.0030261900000000, -0.0009746200000000 ] - [ -0.0004122600000000, 0.0001151700000000, 0.0004364400000000 ] - [ 0.0009761000000000, 0.0005197200000000, 0.0009405700000000 ] - [ -0.0003210400000000, 0.0001787500000000, 0.0006257400000000 ] - [ -0.0003654600000000, 0.0001005300000000, 0.0001788700000000 ] - [ -0.0099397900000000, -0.0134701600000000, 0.0050219900000000 ] - [ 0.0006498100000000, 0.0000223700000000, -0.0012830900000000 ] - [ 0.0004116400000000, -0.0000318100000000, 0.0000579000000000 ] - [ 0.0002116000000000, -0.0017295200000000, 0.0004871200000000 ] - [ -0.0005416500000000, 0.0011667300000000, -0.0005382500000000 ] - [ -0.0006475800000000, -0.0045999300000000, -0.0002152000000000 ] - [ 0.0532927200000000, 0.3000468300000000, 0.0511689300000000 ] - [ 0.0003376100000000, 0.0000897000000000, -0.0001331200000000 ] - [ -0.0004157000000000, -0.0004169500000000, -0.0019249600000000 ] - [ -0.0015583900000000, -0.0001509400000000, 0.0010862200000000 ] - [ -0.0008049100000000, -0.0003716500000000, -0.0003410900000000 ] - [ 0.0029741100000000, -0.0015190400000000, 0.0001795500000000 ] - [ 0.0008365000000000, 0.0005966000000000, 0.0004244400000000 ] - [ 0.0063590600000000, -0.0265783400000000, -0.0023098700000000 ] - [ 0.0005660500000000, -0.0000370600000000, -0.0022683100000000 ] - [ 0.0003923600000000, -0.0004449600000000, 0.0001594500000000 ] - [ -0.0065340400000000, -0.0017844400000000, -0.0126315000000000 ] - [ -0.0003748600000000, 0.0003376800000000, 0.0007200700000000 ] - [ -0.0139867000000000, -0.0046721100000000, 0.0021509800000000 ] - [ -0.0000909600000000, -0.0000363700000000, 0.0006798500000000 ] - [ 0.0084088100000000, -0.0103247700000000, -0.0097257500000000 ] - [ 0.0002121100000000, 0.0000137200000000, -0.0007134900000000 ] - [ -0.0001763600000000, 0.0003097400000000, -0.0001622500000000 ] - [ 0.0062037900000000, -0.0049568800000000, 0.0070305300000000 ] - [ 0.0000521900000000, -0.0007816200000000, -0.0010854900000000 ] - [ 0.0000206600000000, 0.0001609100000000, 0.0020679800000000 ] - [ -0.0000785700000000, 0.0016775000000000, -0.0005632100000000 ] - [ -0.0003152600000000, -0.0046740200000000, 0.0000164600000000 ] - [ 0.0001856600000000, 0.0003183700000000, -0.0000185100000000 ] - [ -0.0003891500000000, -0.0010788700000000, 0.0001673100000000 ] - [ -0.0000975000000000, 0.0002949300000000, -0.0000999100000000 ] - [ 0.0017645300000000, 0.0034989900000000, -0.0006069700000000 ] - [ 0.0001737700000000, -0.0010313400000000, 0.0000622000000000 ] - [ -0.0006914700000000, 0.0009753900000000, 0.0004112100000000 ] - [ 0.0004101800000000, 0.0032716100000000, -0.0020756800000000 ] - [ -0.0000493000000000, -0.0002073000000000, 0.0001082400000000 ] - [ 0.0012061400000000, 0.0024382700000000, 0.0002677900000000 ] - [ 0.0000179300000000, -0.0002734600000000, 0.0000045600000000 ] - [ -0.0002218100000000, -0.0027327900000000, -0.0014494100000000 ] - [ -0.0001095800000000, 0.0005739800000000, 0.0001815600000000 ] - [ 0.0001531700000000, -0.0028095200000000, 0.0002879100000000 ] - [ 0.0001671100000000, 0.0001079300000000, -0.0000812900000000 ] - [ -0.0002396900000000, -0.0002491700000000, 0.0001938700000000 ] - [ 0.0000276900000000, 0.0006519400000000, 0.0000003400000000 ] - [ -0.0001657000000000, -0.0024955700000000, -0.0011941000000000 ] - [ -0.0006428200000000, 0.0021000600000000, 0.0004499100000000 ] - [ 0.0006846700000000, -0.0004145400000000, -0.0001273600000000 ] - [ -0.0005944400000000, 0.0015405600000000, 0.0016725300000000 ] - [ -0.0006185300000000, -0.0005951300000000, -0.0001703400000000 ] - [ -0.0085103600000000, 0.0011861100000000, 0.0026635400000000 ] - [ 0.0016216600000000, -0.0049826500000000, -0.0044817900000000 ] - [ -0.0001890800000000, 0.0000403100000000, -0.0000821400000000 ] - [ 0.0232676500000000, -0.0449029900000000, 0.0151757800000000 ] - [ 0.0001815600000000, 0.0005245700000000, 0.0008207800000000 ] - [ 0.0006465800000000, 0.0008881900000000, 0.0009793900000000 ] - [ -0.0001812100000000, -0.0003745100000000, -0.0002444200000000 ] - [ 0.0040139900000000, 0.0034812000000000, 0.0025273800000000 ] - [ -0.0000444400000000, -0.0006462000000000, -0.0014245100000000 ] - [ -0.0000202300000000, -0.0001098600000000, 0.0002151300000000 ] - [ 0.0004738700000000, -0.0001613000000000, -0.0024419400000000 ] - [ -0.0000215200000000, -0.0012236100000000, 0.0020064500000000 ] - [ 0.0097851300000000, 0.0056841400000000, 0.0011279400000000 ] - [ -0.0653006200000000, -0.1927730900000000, -0.0523231100000000 ] - [ -0.0004384200000000, -0.0001526900000000, -0.0012362400000000 ] - [ -0.0098474100000000, -0.0016860000000000, 0.0035239900000000 ] - [ 0.0001033100000000, 0.0005304400000000, 0.0006279100000000 ] - [ 0.0000780200000000, 0.0013471000000000, -0.0010297400000000 ] - [ 0.0001733100000000, 0.0002880000000000, 0.0011981300000000 ] - [ 0.0006863900000000, 0.0063271200000000, -0.0041816000000000 ] - [ -0.0003886500000000, -0.0015677100000000, 0.0018680800000000 ]- atom: 21 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ 0.0000787800000000, -0.0005859100000000, 0.0012162800000000 ] - [ 0.0012668800000000, -0.0000917800000000, 0.0006495300000000 ] - [ 0.0006748700000000, 0.0003972000000000, 0.0002728000000000 ] - [ -0.0004656400000000, 0.0003583700000000, -0.0003322300000000 ] - [ -0.0006308000000000, -0.0000156300000000, 0.0013106600000000 ] - [ -0.0003250800000000, 0.0002835800000000, 0.0007703800000000 ] - [ 0.0001208800000000, -0.0002692800000000, 0.0009007000000000 ] - [ -0.0015088200000000, 0.0006892300000000, 0.0003387600000000 ] - [ 0.0004770200000000, -0.0001521200000000, 0.0011383600000000 ] - [ -0.0004997200000000, 0.0000801000000000, -0.0020496800000000 ] - [ -0.0003074500000000, 0.0000423700000000, 0.0016896100000000 ] - [ -0.0008669900000000, 0.0000530900000000, -0.0024713100000000 ] - [ -0.0009439200000000, -0.0002800500000000, -0.0005837700000000 ] - [ -0.0004000800000000, 0.0001380800000000, 0.0010503000000000 ] - [ -0.0030185500000000, -0.0043536500000000, -0.0002959400000000 ] - [ 0.0002298700000000, -0.0000118900000000, 0.0006815400000000 ] - [ 0.0004091700000000, -0.0002998500000000, 0.0009052300000000 ] - [ -0.0008048800000000, -0.0006889800000000, -0.0008068400000000 ] - [ -0.0003683600000000, -0.0000090500000000, 0.0005766500000000 ] - [ -0.0003903200000000, -0.0001449400000000, -0.0008460200000000 ] - [ 0.0015652400000000, -0.0189825800000000, -0.0409247900000000 ] - [ 0.0000678600000000, -0.0000968400000000, 0.0011744900000000 ] - [ -0.0002470400000000, -0.0001321600000000, 0.0017334500000000 ] - [ -0.0007128700000000, -0.0010233500000000, -0.0004372400000000 ] - [ -0.0008517300000000, -0.0003506300000000, 0.0004087900000000 ] - [ -0.0006643600000000, 0.0002233000000000, -0.0000359700000000 ] - [ 0.0007482400000000, 0.0004134800000000, 0.0007913300000000 ] - [ 0.0023644400000000, 0.0034469700000000, -0.0066474100000000 ] - [ -0.0005637100000000, -0.0001146900000000, 0.0008068300000000 ] - [ 0.0005218600000000, -0.0005306600000000, 0.0011257800000000 ] - [ 0.0115623300000000, 0.0128730100000000, 0.0070356300000000 ] - [ -0.0004287600000000, 0.0003498500000000, 0.0006709900000000 ] - [ -0.0052399000000000, -0.0104828800000000, -0.0076425000000000 ] - [ -0.0004586400000000, -0.0000582200000000, 0.0013112500000000 ] - [ -0.0021610300000000, 0.0052040000000000, 0.0024325600000000 ] - [ -0.0002394000000000, -0.0000455100000000, 0.0004757500000000 ] - [ -0.0003016700000000, 0.0008682100000000, 0.0016258800000000 ] - [ 0.0015997900000000, 0.0003531200000000, -0.0018387500000000 ] - [ 0.0004156100000000, -0.0003799800000000, 0.0001639000000000 ] - [ -0.0006850400000000, -0.0028409800000000, 0.0049306600000000 ] - [ -0.0005131900000000, -0.0000795000000000, 0.0003023300000000 ] - [ 0.0007978500000000, 0.0013650600000000, -0.0004312400000000 ] - [ 0.0003578500000000, -0.0001167000000000, 0.0006609100000000 ] - [ -0.0001074100000000, -0.0009700300000000, 0.0005054400000000 ] - [ -0.0000873800000000, 0.0004338400000000, 0.0006337300000000 ] - [ -0.0018665600000000, 0.0018887800000000, 0.0005772800000000 ] - [ 0.0000527700000000, -0.0005048800000000, 0.0005702300000000 ] - [ 0.0003328200000000, -0.0002637600000000, -0.0002282400000000 ] - [ -0.0007297900000000, -0.0001548900000000, 0.0008539300000000 ] - [ 0.0000258000000000, -0.0000618000000000, -0.0006700400000000 ] - [ 0.0008000400000000, 0.0006718400000000, 0.0013938400000000 ] - [ 0.0000134400000000, 0.0000917800000000, -0.0005182300000000 ] - [ 0.0002055500000000, 0.0012139900000000, 0.0062632100000000 ] - [ -0.0000778400000000, 0.0004093500000000, -0.0006021500000000 ] - [ 0.0009754700000000, -0.0008158600000000, 0.0016846900000000 ] - [ -0.0000074900000000, -0.0005578600000000, -0.0005855400000000 ] - [ 0.0001389500000000, 0.0001406900000000, -0.0005752300000000 ] - [ 0.0003717100000000, 0.0002290100000000, -0.0004012400000000 ] - [ 0.0008289800000000, 0.0004526800000000, -0.0038555300000000 ] - [ 0.0001683400000000, -0.0007065900000000, -0.0003353800000000 ] - [ 0.0003792800000000, -0.0002080200000000, -0.0019297400000000 ] - [ 0.0006117700000000, 0.0000698900000000, 0.0009486500000000 ] - [ -0.0007443700000000, 0.0004047000000000, -0.0006551900000000 ] - [ 0.0023947300000000, -0.0013793400000000, 0.0016670400000000 ] - [ 0.0043222200000000, 0.0011771800000000, -0.0027372700000000 ] - [ -0.0003096600000000, -0.0001110800000000, -0.0012461600000000 ] - [ -0.0008019700000000, -0.0018295100000000, 0.0046256200000000 ] - [ 0.0004333000000000, 0.0001001600000000, -0.0009214900000000 ] - [ -0.0000942100000000, -0.0000358200000000, -0.0012323500000000 ] - [ -0.0008492500000000, -0.0000274100000000, -0.0006319200000000 ] - [ -0.0039876100000000, -0.0019407500000000, -0.0010245600000000 ] - [ 0.0003535600000000, 0.0003780200000000, -0.0003786600000000 ] - [ 0.0001964400000000, 0.0002928400000000, -0.0019281200000000 ] - [ 0.0009202600000000, 0.0007194100000000, 0.0025611400000000 ] - [ 0.0004272100000000, 0.0005312500000000, -0.0024930400000000 ] - [ 0.0027083200000000, 0.0013221700000000, 0.0041783400000000 ] - [ -0.0108017300000000, 0.0137490900000000, 0.0364248100000000 ] - [ 0.0000629700000000, -0.0004546900000000, -0.0018391500000000 ] - [ 0.0027465100000000, -0.0018352500000000, -0.0020669700000000 ] - [ 0.0005119100000000, 0.0004252300000000, -0.0011025600000000 ] - [ -0.0000034100000000, 0.0030309800000000, -0.0036631400000000 ] - [ -0.0006199500000000, 0.0002505200000000, -0.0010177900000000 ] - [ -0.0002374800000000, -0.0007686500000000, -0.0001888600000000 ] - [ 0.0016831600000000, -0.0003583800000000, -0.0018670500000000 ]- atom: 21 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ -0.0013927100000000, -0.0000622600000000, -0.0012127500000000 ] - [ 0.0000219300000000, -0.0005546500000000, -0.0006680500000000 ] - [ 0.0006300600000000, 0.0002531800000000, -0.0002898900000000 ] - [ -0.0008481700000000, 0.0002945000000000, 0.0003490900000000 ] - [ 0.0009618800000000, 0.0004280400000000, -0.0023748300000000 ] - [ -0.0000024900000000, 0.0001254600000000, 0.0002838700000000 ] - [ -0.0004515800000000, -0.0001459700000000, 0.0001452200000000 ] - [ 0.0018239400000000, -0.0010866000000000, -0.0013854200000000 ] - [ 0.0002723300000000, 0.0000089100000000, -0.0020796200000000 ] - [ -0.0002544100000000, -0.0002323000000000, 0.0029973000000000 ] - [ -0.0004357700000000, 0.0000981900000000, -0.0007478400000000 ] - [ 0.0016186400000000, 0.0000943900000000, 0.0015302000000000 ] - [ 0.0016422300000000, 0.0004555600000000, -0.0002321100000000 ] - [ -0.0003128900000000, 0.0000573100000000, -0.0002064800000000 ] - [ 0.0023235300000000, 0.0041448700000000, 0.0011252900000000 ] - [ 0.0004825900000000, -0.0001846800000000, -0.0015370300000000 ] - [ 0.0004840200000000, -0.0003404400000000, -0.0004825900000000 ] - [ -0.0000865500000000, 0.0000483000000000, 0.0003851200000000 ] - [ -0.0005133300000000, 0.0006495600000000, -0.0010054900000000 ] - [ 0.0012837100000000, 0.0007738300000000, 0.0012720700000000 ] - [ -0.0011885700000000, 0.0185498300000000, 0.0418438500000000 ] - [ 0.0005674500000000, 0.0004050500000000, -0.0008373900000000 ] - [ -0.0003804900000000, -0.0001712400000000, -0.0020970500000000 ] - [ 0.0013439000000000, 0.0007022600000000, 0.0007892800000000 ] - [ -0.0007040600000000, -0.0004988000000000, -0.0008987600000000 ] - [ 0.0022163000000000, -0.0010628100000000, 0.0005203400000000 ] - [ 0.0008000800000000, 0.0004333500000000, -0.0003031600000000 ] - [ -0.0038966100000000, -0.0026373200000000, 0.0061450200000000 ] - [ -0.0002254600000000, -0.0007706000000000, -0.0011052600000000 ] - [ 0.0002777600000000, -0.0003594400000000, -0.0008283700000000 ] - [ -0.0106487500000000, -0.0118719600000000, -0.0066484000000000 ] - [ -0.0003675500000000, 0.0005359800000000, -0.0009802700000000 ] - [ 0.0054731600000000, 0.0104853400000000, 0.0067086900000000 ] - [ 0.0002444800000000, 0.0000257200000000, -0.0003378100000000 ] - [ 0.0019548800000000, -0.0051876300000000, -0.0014256900000000 ] - [ 0.0004471700000000, 0.0000806500000000, -0.0014519000000000 ] - [ -0.0000281700000000, 0.0003568600000000, -0.0002767200000000 ] - [ -0.0013004900000000, 0.0008828000000000, 0.0004594300000000 ] - [ -0.0000900600000000, -0.0008436700000000, -0.0015129900000000 ] - [ 0.0003993100000000, 0.0016585800000000, -0.0036194000000000 ] - [ 0.0000680300000000, 0.0003942000000000, -0.0006354800000000 ] - [ -0.0003569400000000, -0.0010559700000000, 0.0007585200000000 ] - [ 0.0000844900000000, -0.0001931100000000, -0.0003290600000000 ] - [ -0.0003341700000000, 0.0006569300000000, -0.0008303400000000 ] - [ -0.0000913600000000, 0.0006184500000000, -0.0006200700000000 ] - [ 0.0020386400000000, -0.0008255200000000, -0.0006154700000000 ] - [ 0.0001246800000000, -0.0005431100000000, -0.0005885200000000 ] - [ -0.0009730900000000, 0.0005852100000000, -0.0001223900000000 ] - [ 0.0007373500000000, 0.0000909400000000, -0.0008483300000000 ] - [ -0.0000344100000000, -0.0000063800000000, 0.0006543500000000 ] - [ -0.0008022600000000, -0.0005975400000000, -0.0014081300000000 ] - [ -0.0000038500000000, -0.0000231900000000, 0.0005347200000000 ] - [ -0.0002029100000000, -0.0005349000000000, -0.0066355100000000 ] - [ -0.0000605800000000, 0.0003679300000000, 0.0007480500000000 ] - [ -0.0011097900000000, 0.0000342700000000, -0.0015409500000000 ] - [ 0.0001456800000000, -0.0002219700000000, 0.0004405700000000 ] - [ -0.0003685700000000, 0.0002486500000000, 0.0005939200000000 ] - [ -0.0001440500000000, 0.0001587800000000, 0.0003812900000000 ] - [ -0.0006000900000000, -0.0008410600000000, 0.0038050900000000 ] - [ -0.0003985700000000, 0.0003205300000000, 0.0003587600000000 ] - [ 0.0007648100000000, -0.0000448400000000, 0.0012100100000000 ] - [ -0.0017501700000000, -0.0003242200000000, -0.0002386100000000 ] - [ -0.0004007000000000, -0.0001501200000000, 0.0013805100000000 ] - [ -0.0012793200000000, 0.0016193000000000, -0.0023653300000000 ] - [ -0.0038216700000000, -0.0015363100000000, 0.0032499800000000 ] - [ -0.0002268500000000, -0.0002107000000000, 0.0007308500000000 ] - [ 0.0000948400000000, 0.0024548600000000, -0.0052955700000000 ] - [ 0.0001019200000000, 0.0002214800000000, 0.0014371600000000 ] - [ 0.0005168500000000, -0.0000877900000000, 0.0011749400000000 ] - [ 0.0004313900000000, -0.0000959000000000, 0.0006913000000000 ] - [ 0.0035746400000000, 0.0020628900000000, 0.0010883000000000 ] - [ 0.0000726400000000, -0.0002515900000000, 0.0003172200000000 ] - [ -0.0004744200000000, -0.0000497700000000, 0.0015406400000000 ] - [ -0.0006466900000000, -0.0004795900000000, -0.0021706800000000 ] - [ -0.0001514500000000, -0.0007791800000000, 0.0028882300000000 ] - [ -0.0029864200000000, -0.0015466300000000, -0.0045877600000000 ] - [ 0.0108918800000000, -0.0155073700000000, -0.0360079900000000 ] - [ -0.0005086700000000, -0.0003639600000000, 0.0009021100000000 ] - [ -0.0031850800000000, 0.0026799200000000, 0.0011259300000000 ] - [ -0.0000645800000000, 0.0003944800000000, 0.0020452000000000 ] - [ 0.0001780200000000, -0.0019962600000000, 0.0032687400000000 ] - [ 0.0004474400000000, 0.0008025600000000, 0.0014289600000000 ] - [ 0.0000585200000000, -0.0002893500000000, 0.0006157400000000 ] - [ -0.0014964200000000, -0.0006932200000000, 0.0014595800000000 ]- atom: 22 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ -0.0004996000000000, 0.0013353700000000, -0.0003804000000000 ] - [ 0.0078752400000000, -0.0031107300000000, -0.0035093000000000 ] - [ 0.0007938600000000, 0.0003382800000000, -0.0007530900000000 ] - [ -0.0006241800000000, 0.0003366500000000, -0.0002165200000000 ] - [ -0.0015519900000000, 0.0004930100000000, 0.0008080700000000 ] - [ 0.0024215200000000, 0.0000420500000000, 0.0008025800000000 ] - [ -0.0002335100000000, -0.0002929800000000, -0.0004742300000000 ] - [ 0.0003205800000000, -0.0001262900000000, -0.0008958000000000 ] - [ -0.0004205300000000, 0.0009370800000000, 0.0002875400000000 ] - [ -0.0002605300000000, -0.0000532900000000, -0.0002845500000000 ] - [ -0.0036179200000000, 0.0028228800000000, -0.0071136000000000 ] - [ 0.0004312300000000, 0.0001010000000000, -0.0008651400000000 ] - [ 0.0003688900000000, 0.0001003500000000, -0.0003284100000000 ] - [ 0.0194292900000000, 0.0117148800000000, -0.0033395500000000 ] - [ -0.0004667000000000, -0.0000939600000000, 0.0000968600000000 ] - [ -0.0000048400000000, 0.0000904800000000, -0.0003357600000000 ] - [ -0.0078181300000000, 0.0004592500000000, 0.0013223700000000 ] - [ -0.0001354000000000, -0.0001869900000000, -0.0004225700000000 ] - [ -0.0010298400000000, 0.0016842500000000, -0.0003425600000000 ] - [ 0.0004922900000000, 0.0003479400000000, -0.0000683800000000 ] - [ -0.0001418200000000, -0.0005466800000000, -0.0003089200000000 ] - [ -0.1188315800000000, -0.1027874100000000, 0.0715960000000000 ] - [ -0.0005152600000000, -0.0001181500000000, -0.0003286500000000 ] - [ 0.0004937900000000, -0.0002564500000000, -0.0002681800000000 ] - [ -0.0006486400000000, 0.0002947500000000, -0.0000441200000000 ] - [ 0.0008332700000000, -0.0004572000000000, 0.0001770600000000 ] - [ 0.0006684500000000, 0.0001128800000000, 0.0010534700000000 ] - [ -0.0007747800000000, 0.0005018800000000, -0.0005776800000000 ] - [ -0.0004707100000000, -0.0000566200000000, 0.0015213900000000 ] - [ 0.0014602200000000, -0.0007642300000000, 0.0012965900000000 ] - [ 0.0002795400000000, 0.0004073800000000, -0.0003412900000000 ] - [ 0.0000371100000000, 0.0001783000000000, -0.0003249800000000 ] - [ 0.0001534100000000, -0.0000035800000000, -0.0009122500000000 ] - [ 0.0020033100000000, -0.0004232300000000, -0.0007612500000000 ] - [ -0.0004492800000000, -0.0001536300000000, 0.0002786400000000 ] - [ 0.0014433700000000, -0.0000715800000000, -0.0002617100000000 ] - [ 0.0000537700000000, 0.0005510800000000, 0.0004813300000000 ] - [ 0.0000579000000000, 0.0007885300000000, -0.0012530100000000 ] - [ 0.0068339300000000, -0.0013597700000000, 0.0003717200000000 ] - [ -0.0007027900000000, 0.0001603400000000, 0.0004347400000000 ] - [ -0.0000910600000000, 0.0002847000000000, -0.0004526200000000 ] - [ 0.0002228800000000, -0.0000527300000000, -0.0001925100000000 ] - [ 0.0020972700000000, -0.0012305200000000, 0.0010254800000000 ] - [ -0.0016512300000000, 0.0032778000000000, -0.0030078000000000 ] - [ 0.0017944800000000, -0.0013352600000000, -0.0001076600000000 ] - [ 0.0000459600000000, 0.0006188400000000, 0.0000367800000000 ] - [ 0.0012818200000000, -0.0009096200000000, 0.0014111600000000 ] - [ 0.0000668700000000, -0.0000060200000000, -0.0003438700000000 ] - [ -0.0001325300000000, -0.0001824500000000, 0.0007954800000000 ] - [ 0.0000428500000000, 0.0007376600000000, -0.0007305400000000 ] - [ -0.0000345800000000, 0.0000601900000000, 0.0002351000000000 ] - [ -0.0004830800000000, -0.0006512200000000, 0.0008065400000000 ] - [ 0.0000961900000000, 0.0007483400000000, 0.0005915600000000 ] - [ 0.0060108300000000, 0.0033715300000000, 0.0018410300000000 ] - [ -0.0001076800000000, -0.0004290900000000, 0.0002837400000000 ] - [ -0.0003590000000000, 0.0002022200000000, 0.0007000500000000 ] - [ -0.0002869100000000, -0.0010776400000000, -0.0019348600000000 ] - [ -0.0006609500000000, 0.0015464600000000, -0.0021564800000000 ] - [ 0.0001792300000000, -0.0002504500000000, 0.0001626000000000 ] - [ -0.0000164700000000, -0.0001212000000000, 0.0001422800000000 ] - [ 0.0014449200000000, -0.0014753900000000, -0.0010375400000000 ] - [ -0.0010017600000000, -0.0002093500000000, 0.0007641300000000 ] - [ 0.0022949200000000, -0.0009003100000000, 0.0016593900000000 ] - [ 0.0005730700000000, 0.0001039300000000, 0.0000684600000000 ] - [ 0.0007429400000000, -0.0003851500000000, 0.0007311800000000 ] - [ -0.0082747000000000, 0.0038258100000000, 0.0012875800000000 ] - [ -0.0000998000000000, 0.0001654400000000, 0.0002922700000000 ] - [ -0.0001072100000000, -0.0002904600000000, 0.0001081900000000 ] - [ 0.0044114100000000, -0.0016176600000000, -0.0058541500000000 ] - [ -0.0016072800000000, 0.0001554300000000, -0.0001897600000000 ] - [ -0.0001533400000000, 0.0001891600000000, 0.0004501600000000 ] - [ -0.0000802400000000, -0.0000354900000000, 0.0004518100000000 ] - [ 0.0971041100000000, 0.0825075900000000, -0.0516065900000000 ] - [ -0.0003617100000000, 0.0000266000000000, 0.0005661500000000 ] - [ 0.0011387600000000, -0.0008277200000000, -0.0006460700000000 ] - [ -0.0002104100000000, -0.0000614500000000, 0.0007147800000000 ] - [ 0.0002189700000000, -0.0004639800000000, 0.0012547400000000 ] - [ -0.0027503100000000, 0.0010603600000000, -0.0010214800000000 ] - [ 0.0000279500000000, 0.0008463000000000, -0.0010230000000000 ] - [ -0.0024685100000000, 0.0015855000000000, -0.0012018900000000 ] - [ 0.0025620000000000, -0.0035497700000000, -0.0008668700000000 ] - [ -0.0083715500000000, 0.0029324000000000, -0.0016170700000000 ] - [ -0.0002298200000000, -0.0004798100000000, 0.0014638000000000 ] - [ -0.0000702600000000, -0.0006393900000000, 0.0003298900000000 ]- atom: 22 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ -0.0007946300000000, -0.0019958400000000, 0.0004050700000000 ] - [ -0.0065778600000000, 0.0024766400000000, 0.0035211400000000 ] - [ 0.0005135500000000, 0.0003156800000000, 0.0007333500000000 ] - [ -0.0006811400000000, 0.0003143200000000, 0.0002365900000000 ] - [ 0.0018785200000000, -0.0000894100000000, -0.0018799500000000 ] - [ -0.0027541300000000, 0.0003682000000000, 0.0002689100000000 ] - [ -0.0000923100000000, -0.0001138800000000, 0.0015284700000000 ] - [ 0.0000137800000000, -0.0002860900000000, -0.0001532200000000 ] - [ 0.0011804900000000, -0.0010910800000000, -0.0012063200000000 ] - [ -0.0004877000000000, -0.0000896300000000, 0.0012312300000000 ] - [ 0.0028244800000000, -0.0026304000000000, 0.0079486900000000 ] - [ 0.0003132000000000, 0.0000410600000000, -0.0000859300000000 ] - [ 0.0003427600000000, 0.0000878500000000, -0.0005078000000000 ] - [ -0.0196641000000000, -0.0112440100000000, 0.0041001800000000 ] - [ -0.0002400200000000, -0.0000940600000000, 0.0007409600000000 ] - [ 0.0007206200000000, -0.0002744300000000, -0.0004944600000000 ] - [ 0.0086306600000000, -0.0011942500000000, -0.0008514700000000 ] - [ -0.0007576500000000, -0.0004566900000000, -0.0000012900000000 ] - [ 0.0001399300000000, -0.0010471600000000, -0.0000787300000000 ] - [ 0.0003929400000000, 0.0002976300000000, 0.0004954900000000 ] - [ -0.0000252200000000, -0.0005095300000000, 0.0003299600000000 ] - [ 0.1181259900000000, 0.1002231800000000, -0.0687016300000000 ] - [ -0.0001207000000000, -0.0001980900000000, -0.0000193600000000 ] - [ 0.0001399500000000, -0.0000580100000000, 0.0006251200000000 ] - [ -0.0009298700000000, -0.0011314900000000, -0.0004372800000000 ] - [ 0.0007094300000000, -0.0003760300000000, 0.0003020200000000 ] - [ 0.0008920200000000, 0.0007224700000000, -0.0005786200000000 ] - [ -0.0007719100000000, 0.0003448400000000, 0.0000865300000000 ] - [ -0.0003618600000000, -0.0008476000000000, -0.0018765300000000 ] - [ -0.0006629000000000, -0.0001253200000000, -0.0009869900000000 ] - [ 0.0005184600000000, 0.0004797000000000, 0.0006498800000000 ] - [ -0.0008396200000000, 0.0007127000000000, 0.0000135400000000 ] - [ 0.0000514600000000, -0.0000377300000000, -0.0000707900000000 ] - [ -0.0021941600000000, 0.0003577200000000, 0.0017689000000000 ] - [ 0.0002423000000000, 0.0001946000000000, 0.0007013200000000 ] - [ -0.0012449900000000, 0.0001160200000000, -0.0007300400000000 ] - [ -0.0003661800000000, 0.0006584600000000, 0.0008629200000000 ] - [ 0.0002576100000000, 0.0004310000000000, -0.0000992200000000 ] - [ -0.0065883100000000, 0.0001582300000000, -0.0017224200000000 ] - [ 0.0003847200000000, -0.0013801700000000, 0.0009132300000000 ] - [ -0.0003550700000000, 0.0000228300000000, 0.0001164800000000 ] - [ 0.0002214200000000, 0.0003660600000000, 0.0005236100000000 ] - [ -0.0016456800000000, 0.0009319800000000, -0.0006864000000000 ] - [ 0.0012286100000000, -0.0035828900000000, 0.0026802900000000 ] - [ -0.0019259100000000, 0.0024021300000000, 0.0001467700000000 ] - [ 0.0001130900000000, 0.0004186500000000, -0.0000735500000000 ] - [ -0.0011211400000000, -0.0001473300000000, -0.0014470900000000 ] - [ -0.0007045900000000, 0.0003249500000000, -0.0000042500000000 ] - [ 0.0001386300000000, 0.0001126000000000, -0.0007775800000000 ] - [ -0.0000660600000000, -0.0008137500000000, 0.0007162200000000 ] - [ 0.0000246300000000, 0.0000119500000000, -0.0002480200000000 ] - [ 0.0004968400000000, 0.0007200100000000, -0.0007894400000000 ] - [ 0.0000390600000000, 0.0000302500000000, -0.0007371300000000 ] - [ -0.0064621400000000, -0.0028998900000000, -0.0018634200000000 ] - [ -0.0000312400000000, -0.0003475200000000, -0.0001393700000000 ] - [ 0.0005015800000000, -0.0009808100000000, -0.0008434900000000 ] - [ 0.0000687700000000, 0.0014582900000000, 0.0019430300000000 ] - [ 0.0008987900000000, -0.0011491800000000, 0.0021277400000000 ] - [ 0.0000481900000000, -0.0001393600000000, -0.0001821400000000 ] - [ -0.0002134000000000, -0.0002652500000000, -0.0001234800000000 ] - [ -0.0002764000000000, 0.0012525900000000, 0.0003083600000000 ] - [ -0.0001297100000000, -0.0000447300000000, -0.0000593300000000 ] - [ -0.0034435000000000, 0.0011501000000000, -0.0009402500000000 ] - [ 0.0005638500000000, 0.0001537200000000, -0.0007808000000000 ] - [ -0.0002084600000000, 0.0000690100000000, -0.0002144200000000 ] - [ 0.0077088200000000, -0.0041157600000000, -0.0017721000000000 ] - [ -0.0004350600000000, 0.0001571300000000, -0.0008043100000000 ] - [ 0.0006406300000000, 0.0006149400000000, 0.0004120800000000 ] - [ -0.0038327400000000, 0.0014038400000000, 0.0056043500000000 ] - [ 0.0011794900000000, -0.0002837700000000, 0.0002444900000000 ] - [ -0.0002689400000000, -0.0000664900000000, -0.0003938800000000 ] - [ 0.0005049200000000, 0.0001588200000000, -0.0005105700000000 ] - [ -0.0961342300000000, -0.0792686000000000, 0.0491856500000000 ] - [ 0.0006353900000000, 0.0002175700000000, -0.0001678400000000 ] - [ -0.0008635200000000, 0.0005817200000000, 0.0010149700000000 ] - [ -0.0000611200000000, -0.0001865400000000, -0.0011204200000000 ] - [ 0.0002224500000000, -0.0003526100000000, -0.0003142800000000 ] - [ 0.0022921200000000, -0.0018792500000000, 0.0000932300000000 ] - [ -0.0004744000000000, -0.0000322700000000, 0.0001159300000000 ] - [ 0.0029236600000000, -0.0007519200000000, 0.0021474200000000 ] - [ -0.0024153000000000, 0.0046075900000000, 0.0004509600000000 ] - [ 0.0081949900000000, -0.0018955000000000, 0.0019766400000000 ] - [ 0.0000537400000000, -0.0005770200000000, -0.0010574500000000 ] - [ 0.0002513100000000, -0.0004157100000000, -0.0007386800000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005161500000000, 0.0023302300000000, -0.0001281200000000 ] - [ 0.0007133300000000, -0.0017246900000000, 0.0003106500000000 ] - [ 0.0006896800000000, 0.0003168700000000, -0.0005462000000000 ] - [ -0.0006368000000000, 0.0003526400000000, -0.0001841800000000 ] - [ -0.0007662100000000, 0.0062507400000000, 0.0006050600000000 ] - [ 0.0001291200000000, -0.0000325700000000, 0.0008255300000000 ] - [ -0.0000798900000000, -0.0003364700000000, -0.0001773600000000 ] - [ 0.0002828700000000, -0.0001298600000000, -0.0008276100000000 ] - [ -0.0006168500000000, 0.0042131900000000, -0.0003944000000000 ] - [ -0.0003510400000000, -0.0001029200000000, 0.0002029200000000 ] - [ 0.0000863000000000, -0.0045434500000000, -0.0029034500000000 ] - [ 0.0002950300000000, 0.0000695600000000, -0.0008914200000000 ] - [ -0.0000472300000000, 0.0002214300000000, -0.0006895800000000 ] - [ 0.0100379700000000, -0.0032331100000000, -0.0000472200000000 ] - [ -0.0003656900000000, -0.0001035600000000, 0.0002108400000000 ] - [ 0.0001229900000000, 0.0000332000000000, -0.0003798200000000 ] - [ 0.0067273500000000, 0.0275715100000000, -0.0074249200000000 ] - [ -0.0003221800000000, -0.0004823800000000, -0.0003832700000000 ] - [ -0.0008844600000000, 0.0014492500000000, -0.0006321900000000 ] - [ 0.0004670900000000, 0.0002460700000000, 0.0000273900000000 ] - [ -0.0000859800000000, -0.0004592200000000, -0.0002769600000000 ] - [ -0.1032895600000000, -0.1719345900000000, 0.0584353300000000 ] - [ -0.0002659000000000, 0.0000763800000000, -0.0002621200000000 ] - [ 0.0004104200000000, -0.0001825300000000, -0.0001409600000000 ] - [ 0.0010304300000000, 0.0013729400000000, 0.0000161100000000 ] - [ 0.0007437800000000, -0.0006347000000000, 0.0003168000000000 ] - [ 0.0000797600000000, -0.0000940800000000, -0.0002740600000000 ] - [ -0.0007115500000000, 0.0005009000000000, -0.0006039800000000 ] - [ 0.0000601900000000, -0.0012177800000000, 0.0017910300000000 ] - [ 0.0006458200000000, -0.0000364300000000, 0.0009748400000000 ] - [ 0.0003196600000000, 0.0004372400000000, -0.0003141700000000 ] - [ -0.0003331200000000, 0.0001363200000000, -0.0004931000000000 ] - [ 0.0002084300000000, 0.0000332000000000, -0.0010012000000000 ] - [ 0.0007448500000000, -0.0004844600000000, -0.0000814400000000 ] - [ -0.0002002200000000, -0.0001411300000000, 0.0003116900000000 ] - [ 0.0007149900000000, 0.0006629000000000, -0.0000914400000000 ] - [ -0.0000880400000000, 0.0006120200000000, 0.0006116100000000 ] - [ 0.0000882500000000, 0.0007714300000000, -0.0011535400000000 ] - [ 0.0022671300000000, -0.0016787100000000, -0.0001093500000000 ] - [ -0.0003414400000000, 0.0009777300000000, -0.0000256100000000 ] - [ -0.0001469600000000, 0.0003395300000000, -0.0003902500000000 ] - [ 0.0002180500000000, -0.0000284800000000, -0.0001379700000000 ] - [ 0.0003446500000000, -0.0000418700000000, 0.0008996100000000 ] - [ 0.0002197600000000, 0.0053268400000000, -0.0052662400000000 ] - [ -0.0009219300000000, 0.0005323600000000, 0.0005348100000000 ] - [ -0.0000358200000000, 0.0007905300000000, -0.0000668100000000 ] - [ 0.0007265300000000, -0.0013404600000000, 0.0008343600000000 ] - [ -0.0001451400000000, 0.0002459300000000, -0.0002743900000000 ] - [ -0.0003920100000000, 0.0003285200000000, 0.0005801600000000 ] - [ 0.0018638300000000, -0.0011639300000000, 0.0001097200000000 ] - [ 0.0000062500000000, 0.0000951500000000, 0.0002158200000000 ] - [ -0.0004883600000000, -0.0003836500000000, 0.0006233700000000 ] - [ -0.0000689200000000, 0.0002009000000000, 0.0000738200000000 ] - [ 0.0034577400000000, 0.0040125100000000, 0.0012145700000000 ] - [ -0.0000701100000000, -0.0004532900000000, 0.0002743400000000 ] - [ -0.0000530000000000, 0.0002361800000000, -0.0000926200000000 ] - [ -0.0004607600000000, -0.0005755000000000, -0.0012592900000000 ] - [ 0.0024041000000000, 0.0001885000000000, 0.0010707500000000 ] - [ 0.0001532900000000, -0.0002826500000000, 0.0002245200000000 ] - [ -0.0000767500000000, -0.0001100700000000, 0.0001577300000000 ] - [ -0.0017671700000000, -0.0109483300000000, -0.0014657700000000 ] - [ -0.0005447700000000, 0.0001575500000000, 0.0003195700000000 ] - [ 0.0004489200000000, 0.0000029900000000, 0.0022069500000000 ] - [ 0.0005405200000000, 0.0001734900000000, 0.0000383200000000 ] - [ 0.0008509900000000, -0.0005501000000000, 0.0010306200000000 ] - [ -0.0027685800000000, 0.0027264300000000, 0.0004276800000000 ] - [ -0.0001835300000000, 0.0001163700000000, 0.0001846000000000 ] - [ 0.0002608200000000, -0.0000537500000000, -0.0000178700000000 ] - [ -0.0020140700000000, 0.0090546200000000, 0.0182821000000000 ] - [ -0.0013777900000000, -0.0009115600000000, -0.0001983400000000 ] - [ -0.0001461900000000, 0.0001555300000000, 0.0003611100000000 ] - [ 0.0001164200000000, -0.0000534200000000, 0.0003641600000000 ] - [ 0.0836154800000000, 0.1389901700000000, -0.0664471000000000 ] - [ 0.0003419700000000, 0.0000746300000000, 0.0007272100000000 ] - [ 0.0007015000000000, -0.0011831800000000, -0.0000772700000000 ] - [ -0.0001988600000000, 0.0000132500000000, 0.0002908500000000 ] - [ 0.0000914900000000, -0.0005411000000000, 0.0012780500000000 ] - [ -0.0006633600000000, 0.0014567900000000, -0.0002203200000000 ] - [ 0.0002273500000000, 0.0005081500000000, -0.0008884800000000 ] - [ -0.0007404300000000, -0.0017218300000000, -0.0010816200000000 ] - [ -0.0000693900000000, -0.0069636800000000, 0.0004046900000000 ] - [ -0.0010330100000000, 0.0017024600000000, -0.0004379000000000 ] - [ -0.0001907600000000, -0.0004704600000000, 0.0011635000000000 ] - [ -0.0000274500000000, -0.0007351900000000, 0.0002271400000000 ]- atom: 22 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018261600000000, -0.0029831100000000, 0.0001542500000000 ] - [ 0.0006039800000000, 0.0010744400000000, -0.0003551200000000 ] - [ 0.0006005600000000, 0.0003306300000000, 0.0005310000000000 ] - [ -0.0006494400000000, 0.0002951000000000, 0.0002059500000000 ] - [ 0.0011032700000000, -0.0058508600000000, -0.0016093700000000 ] - [ -0.0004550200000000, 0.0004505100000000, 0.0002170700000000 ] - [ -0.0002544200000000, -0.0000823400000000, 0.0012157000000000 ] - [ 0.0000596500000000, -0.0002866300000000, -0.0002175400000000 ] - [ 0.0013489800000000, -0.0043293000000000, -0.0005805700000000 ] - [ -0.0003966500000000, -0.0000347200000000, 0.0007479300000000 ] - [ -0.0008031800000000, 0.0046402600000000, 0.0037738300000000 ] - [ 0.0004512200000000, 0.0000664500000000, -0.0000635400000000 ] - [ 0.0007470600000000, -0.0000357900000000, -0.0001476400000000 ] - [ -0.0106237500000000, 0.0033642100000000, 0.0009041400000000 ] - [ -0.0003450100000000, -0.0000911900000000, 0.0006390300000000 ] - [ 0.0005702700000000, -0.0002321400000000, -0.0004865000000000 ] - [ -0.0057343600000000, -0.0274988900000000, 0.0076541600000000 ] - [ -0.0005662900000000, -0.0001640000000000, -0.0000424600000000 ] - [ -0.0000017600000000, -0.0008026300000000, 0.0001961500000000 ] - [ 0.0004255000000000, 0.0004112500000000, 0.0003971000000000 ] - [ -0.0000921500000000, -0.0005925600000000, 0.0002939800000000 ] - [ 0.0997355600000000, 0.1682831100000000, -0.0540457100000000 ] - [ -0.0003533700000000, -0.0003523400000000, -0.0000853000000000 ] - [ 0.0002167500000000, -0.0001009400000000, 0.0004739200000000 ] - [ -0.0025530700000000, -0.0022354200000000, -0.0005188500000000 ] - [ 0.0007961300000000, -0.0002153500000000, 0.0001706400000000 ] - [ 0.0014592800000000, 0.0009563700000000, 0.0007741000000000 ] - [ -0.0008289500000000, 0.0003559300000000, 0.0001089100000000 ] - [ -0.0008564300000000, 0.0003259600000000, -0.0021477300000000 ] - [ 0.0001458000000000, -0.0008471800000000, -0.0006739400000000 ] - [ 0.0004672800000000, 0.0004491500000000, 0.0006097600000000 ] - [ -0.0004531700000000, 0.0007484500000000, 0.0001972600000000 ] - [ 0.0000007600000000, -0.0000733100000000, 0.0000052300000000 ] - [ -0.0009870900000000, 0.0004583100000000, 0.0010773500000000 ] - [ -0.0000196500000000, 0.0001719800000000, 0.0006607900000000 ] - [ -0.0005092700000000, -0.0006276300000000, -0.0008869300000000 ] - [ -0.0002399700000000, 0.0006250700000000, 0.0007475500000000 ] - [ 0.0002389800000000, 0.0004598100000000, -0.0002045400000000 ] - [ -0.0019318400000000, 0.0004494400000000, -0.0012539300000000 ] - [ 0.0000299100000000, -0.0022086800000000, 0.0014044800000000 ] - [ -0.0002866000000000, -0.0000294800000000, 0.0000783900000000 ] - [ 0.0002164800000000, 0.0003521900000000, 0.0004576600000000 ] - [ 0.0000897600000000, -0.0002825600000000, -0.0005788800000000 ] - [ -0.0006543700000000, -0.0056289500000000, 0.0049900200000000 ] - [ 0.0007523500000000, 0.0005281200000000, -0.0005085200000000 ] - [ 0.0002046900000000, 0.0002666200000000, 0.0000323100000000 ] - [ -0.0005383400000000, 0.0002956500000000, -0.0008474300000000 ] - [ -0.0004823200000000, 0.0000379100000000, -0.0000609400000000 ] - [ 0.0004006000000000, -0.0003960100000000, -0.0005562300000000 ] - [ -0.0018551000000000, 0.0011021500000000, -0.0001279800000000 ] - [ -0.0000161800000000, -0.0000288200000000, -0.0002335300000000 ] - [ 0.0004975000000000, 0.0004549400000000, -0.0006018100000000 ] - [ 0.0002078900000000, 0.0005836400000000, -0.0002160500000000 ] - [ -0.0038538700000000, -0.0033645200000000, -0.0011744200000000 ] - [ -0.0000684200000000, -0.0003248200000000, -0.0001269900000000 ] - [ 0.0001931400000000, -0.0010169600000000, -0.0000516000000000 ] - [ 0.0002275000000000, 0.0009752900000000, 0.0012727500000000 ] - [ -0.0021747600000000, 0.0001880300000000, -0.0010906500000000 ] - [ 0.0000757400000000, -0.0001055000000000, -0.0002408200000000 ] - [ -0.0001509700000000, -0.0002792500000000, -0.0001365100000000 ] - [ 0.0028658700000000, 0.0106430600000000, 0.0007519800000000 ] - [ -0.0005945900000000, -0.0004170300000000, 0.0003981100000000 ] - [ -0.0015978000000000, 0.0002648300000000, -0.0014812100000000 ] - [ 0.0005990700000000, 0.0000843200000000, -0.0007480300000000 ] - [ -0.0003182900000000, 0.0002328300000000, -0.0005157100000000 ] - [ 0.0022324800000000, -0.0030502800000000, -0.0009484600000000 ] - [ -0.0003531700000000, 0.0002095600000000, -0.0006955600000000 ] - [ 0.0002800800000000, 0.0003715800000000, 0.0005343700000000 ] - [ 0.0024489300000000, -0.0094946500000000, -0.0185076300000000 ] - [ 0.0009590700000000, 0.0007956000000000, 0.0002546000000000 ] - [ -0.0002796100000000, -0.0000308600000000, -0.0002959500000000 ] - [ 0.0003089300000000, 0.0001823200000000, -0.0004223800000000 ] - [ -0.0796859600000000, -0.1350034300000000, 0.0625566900000000 ] - [ -0.0000760800000000, 0.0001640300000000, -0.0003280300000000 ] - [ -0.0004233200000000, 0.0009396700000000, 0.0004938800000000 ] - [ -0.0000706500000000, -0.0002496300000000, -0.0006886300000000 ] - [ 0.0003560000000000, -0.0002763200000000, -0.0003347200000000 ] - [ 0.0002243700000000, -0.0022690700000000, -0.0007264700000000 ] - [ -0.0006673000000000, 0.0002992900000000, -0.0000134600000000 ] - [ 0.0011843500000000, 0.0025274100000000, 0.0020175500000000 ] - [ 0.0002629000000000, 0.0080194200000000, -0.0008680300000000 ] - [ 0.0008235400000000, -0.0006358100000000, 0.0008298800000000 ] - [ 0.0000153400000000, -0.0005855700000000, -0.0007540700000000 ] - [ 0.0002012000000000, -0.0003203600000000, -0.0006281200000000 ]- atom: 22 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ -0.0018447600000000, -0.0025623700000000, -0.0017245100000000 ] - [ -0.0098321400000000, 0.0032857800000000, 0.0045956900000000 ] - [ 0.0003460500000000, 0.0002697400000000, 0.0022769800000000 ] - [ -0.0006827900000000, 0.0003464500000000, 0.0010230100000000 ] - [ 0.0024333300000000, -0.0028736000000000, -0.0047014200000000 ] - [ -0.0024562400000000, 0.0003168500000000, -0.0008041000000000 ] - [ -0.0004677900000000, 0.0000900700000000, 0.0035998600000000 ] - [ -0.0002791800000000, -0.0004524300000000, 0.0008866400000000 ] - [ 0.0010558800000000, 0.0002261800000000, -0.0008389600000000 ] - [ -0.0004408600000000, -0.0000433200000000, 0.0025211600000000 ] - [ -0.0065847400000000, -0.0114611500000000, 0.0163959000000000 ] - [ 0.0005559600000000, 0.0000574600000000, 0.0008243000000000 ] - [ 0.0009064800000000, -0.0000007400000000, -0.0002840600000000 ] - [ -0.0121933700000000, -0.0057594900000000, -0.0052127500000000 ] - [ -0.0002641100000000, -0.0001232000000000, 0.0016254400000000 ] - [ 0.0012619200000000, -0.0003567600000000, -0.0000222400000000 ] - [ 0.0042198600000000, -0.0080836500000000, -0.0064424000000000 ] - [ -0.0007410500000000, -0.0007072300000000, 0.0002419000000000 ] - [ 0.0002678100000000, -0.0022621700000000, 0.0006035400000000 ] - [ 0.0004099600000000, 0.0002865000000000, 0.0012033400000000 ] - [ -0.0000705100000000, -0.0002577100000000, 0.0011589700000000 ] - [ 0.1182770000000000, 0.0960843300000000, -0.1802457500000000 ] - [ -0.0003558900000000, -0.0002585500000000, 0.0011010900000000 ] - [ -0.0001568500000000, 0.0001520700000000, 0.0018073000000000 ] - [ -0.0015850700000000, -0.0014247200000000, -0.0014048400000000 ] - [ 0.0018211800000000, -0.0011712600000000, 0.0018375300000000 ] - [ 0.0025066200000000, 0.0004346400000000, 0.0005261700000000 ] - [ -0.0008869200000000, 0.0002036100000000, 0.0008813600000000 ] - [ 0.0030167000000000, 0.0019701000000000, 0.0086944000000000 ] - [ -0.0006977700000000, -0.0000983800000000, -0.0026052200000000 ] - [ 0.0007658300000000, 0.0005964600000000, 0.0021412500000000 ] - [ -0.0002125500000000, 0.0005174700000000, 0.0011989600000000 ] - [ -0.0004118600000000, 0.0000844700000000, 0.0011421600000000 ] - [ -0.0013753700000000, 0.0002902100000000, 0.0006360800000000 ] - [ -0.0006866300000000, 0.0002644700000000, 0.0029487600000000 ] - [ -0.0005136700000000, 0.0003534300000000, -0.0017394400000000 ] - [ -0.0001812100000000, 0.0010109200000000, 0.0015542000000000 ] - [ 0.0004619600000000, -0.0000613100000000, 0.0016041800000000 ] - [ -0.0047742600000000, -0.0009056900000000, -0.0044720400000000 ] - [ 0.0002758100000000, -0.0024020400000000, 0.0006819700000000 ] - [ -0.0004373800000000, -0.0002269900000000, 0.0007171700000000 ] - [ 0.0001546800000000, 0.0006275600000000, 0.0015777400000000 ] - [ -0.0014670500000000, 0.0012486700000000, -0.0020978800000000 ] - [ -0.0005114200000000, -0.0110459200000000, 0.0069515500000000 ] - [ -0.0020614900000000, 0.0022386100000000, -0.0011343800000000 ] - [ 0.0007087200000000, 0.0019981600000000, 0.0022200400000000 ] - [ 0.0006759000000000, 0.0001527800000000, -0.0000947400000000 ] - [ -0.0006534700000000, 0.0003368400000000, -0.0001603600000000 ] - [ 0.0007507100000000, 0.0001911300000000, -0.0016968900000000 ] - [ -0.0008909600000000, 0.0000542300000000, 0.0016016800000000 ] - [ 0.0000369800000000, 0.0001407600000000, -0.0011078900000000 ] - [ 0.0015292200000000, 0.0016513600000000, -0.0008680700000000 ] - [ 0.0003862000000000, -0.0002387500000000, -0.0012497200000000 ] - [ -0.0014080200000000, 0.0001688300000000, 0.0033396400000000 ] - [ -0.0001096200000000, -0.0004077700000000, -0.0010179800000000 ] - [ 0.0016579900000000, -0.0019895300000000, -0.0014632500000000 ] - [ -0.0003762000000000, 0.0005882600000000, 0.0026077600000000 ] - [ -0.0014892400000000, 0.0004717000000000, 0.0016570500000000 ] - [ -0.0000408600000000, -0.0000365200000000, -0.0009600500000000 ] - [ -0.0003248200000000, -0.0003509100000000, -0.0009223300000000 ] - [ 0.0012128800000000, 0.0029490900000000, 0.0026112800000000 ] - [ -0.0010076700000000, -0.0000609400000000, -0.0004905300000000 ] - [ -0.0060008100000000, 0.0033283400000000, -0.0048730400000000 ] - [ 0.0005220700000000, 0.0002264100000000, -0.0019582400000000 ] - [ -0.0003425100000000, -0.0006396900000000, -0.0010893100000000 ] - [ 0.0059780000000000, -0.0025462800000000, 0.0011548400000000 ] - [ -0.0004323900000000, -0.0001462100000000, -0.0027627400000000 ] - [ -0.0002957300000000, -0.0002071200000000, 0.0004182100000000 ] - [ -0.0115342400000000, 0.0157545100000000, 0.0611871800000000 ] - [ 0.0016689700000000, -0.0005118400000000, 0.0010907300000000 ] - [ -0.0003680400000000, -0.0003133700000000, -0.0018412700000000 ] - [ 0.0006223500000000, 0.0004850000000000, -0.0017425500000000 ] - [ -0.0869870100000000, -0.0875546400000000, 0.0913799900000000 ] - [ 0.0000995600000000, 0.0005868200000000, -0.0010318700000000 ] - [ -0.0013443300000000, 0.0009870700000000, -0.0003367500000000 ] - [ 0.0001891500000000, -0.0004563300000000, -0.0030865300000000 ] - [ 0.0005479300000000, -0.0003290500000000, -0.0025394600000000 ] - [ -0.0006559200000000, -0.0015274300000000, -0.0017915900000000 ] - [ -0.0003674200000000, 0.0010003500000000, -0.0068786000000000 ] - [ 0.0023894900000000, -0.0005117900000000, 0.0046872600000000 ] - [ -0.0017080000000000, 0.0103553100000000, 0.0056118400000000 ] - [ 0.0096996900000000, -0.0012312800000000, 0.0076534100000000 ] - [ 0.0005278000000000, -0.0003877600000000, -0.0041655500000000 ] - [ 0.0005695600000000, -0.0003971000000000, -0.0023202200000000 ]- atom: 22 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ 0.0005469400000000, 0.0019014400000000, 0.0017407700000000 ] - [ 0.0110537700000000, -0.0038937600000000, -0.0045233900000000 ] - [ 0.0009687000000000, 0.0003836800000000, -0.0023027400000000 ] - [ -0.0006298900000000, 0.0003078300000000, -0.0010072500000000 ] - [ -0.0020981300000000, 0.0032804200000000, 0.0036244700000000 ] - [ 0.0021123200000000, 0.0000939300000000, 0.0018533600000000 ] - [ 0.0001345500000000, -0.0004992800000000, -0.0025604900000000 ] - [ 0.0006137100000000, 0.0000451700000000, -0.0019475900000000 ] - [ -0.0002984900000000, -0.0003829300000000, -0.0000718700000000 ] - [ -0.0003037100000000, -0.0000988000000000, -0.0015779400000000 ] - [ 0.0060112600000000, 0.0118896100000000, -0.0159616500000000 ] - [ 0.0001949200000000, 0.0000889200000000, -0.0017697800000000 ] - [ -0.0002011900000000, 0.0001894600000000, -0.0005586100000000 ] - [ 0.0115978500000000, 0.0060293300000000, 0.0061797400000000 ] - [ -0.0004306800000000, -0.0000493500000000, -0.0008086100000000 ] - [ -0.0005684800000000, 0.0001803400000000, -0.0007993500000000 ] - [ -0.0034092400000000, 0.0074221800000000, 0.0069699600000000 ] - [ -0.0001512600000000, 0.0000580200000000, -0.0006687300000000 ] - [ -0.0011664600000000, 0.0029233800000000, -0.0010243500000000 ] - [ 0.0004836700000000, 0.0003478200000000, -0.0007794700000000 ] - [ -0.0000795700000000, -0.0008187000000000, -0.0011268200000000 ] - [ -0.1205537800000000, -0.1018710200000000, 0.1784893100000000 ] - [ -0.0002793100000000, -0.0000555000000000, -0.0014601500000000 ] - [ 0.0007945900000000, -0.0004704600000000, -0.0014524900000000 ] - [ 0.0000098400000000, 0.0005782500000000, 0.0009274300000000 ] - [ -0.0002775300000000, 0.0003338000000000, -0.0013550400000000 ] - [ -0.0009569300000000, 0.0004072400000000, -0.0000380600000000 ] - [ -0.0006711300000000, 0.0006338100000000, -0.0013655500000000 ] - [ -0.0038173200000000, -0.0028432800000000, -0.0089801900000000 ] - [ 0.0014912500000000, -0.0007899800000000, 0.0029073500000000 ] - [ 0.0000375200000000, 0.0002938800000000, -0.0018317200000000 ] - [ -0.0005872700000000, 0.0003709800000000, -0.0015064400000000 ] - [ 0.0006191500000000, -0.0001273300000000, -0.0021297600000000 ] - [ 0.0011723600000000, -0.0003360800000000, 0.0003572100000000 ] - [ 0.0004878400000000, -0.0002089400000000, -0.0019512500000000 ] - [ 0.0007122100000000, -0.0003029400000000, 0.0007412700000000 ] - [ -0.0001175100000000, 0.0001988500000000, -0.0001964600000000 ] - [ -0.0001690000000000, 0.0012797900000000, -0.0029781500000000 ] - [ 0.0050827300000000, -0.0003147600000000, 0.0031086600000000 ] - [ -0.0005919900000000, 0.0011816600000000, 0.0006623100000000 ] - [ -0.0000067700000000, 0.0005340400000000, -0.0010509500000000 ] - [ 0.0002892200000000, -0.0003302200000000, -0.0012478200000000 ] - [ 0.0019100200000000, -0.0015509700000000, 0.0024179000000000 ] - [ 0.0000742900000000, 0.0106663700000000, -0.0071813200000000 ] - [ 0.0019046500000000, -0.0011979900000000, 0.0011685500000000 ] - [ -0.0005433100000000, -0.0009372600000000, -0.0022422800000000 ] - [ -0.0005206800000000, -0.0012276100000000, 0.0000688500000000 ] - [ 0.0000205500000000, -0.0000259500000000, -0.0001930600000000 ] - [ -0.0007464700000000, -0.0002621500000000, 0.0017158900000000 ] - [ 0.0008715000000000, -0.0001194600000000, -0.0016221900000000 ] - [ -0.0000474000000000, -0.0000710500000000, 0.0010934800000000 ] - [ -0.0015292600000000, -0.0015950900000000, 0.0008807200000000 ] - [ -0.0002498700000000, 0.0010167900000000, 0.0011043400000000 ] - [ 0.0013131700000000, 0.0006377200000000, -0.0031714000000000 ] - [ -0.0000317400000000, -0.0003705000000000, 0.0011636700000000 ] - [ -0.0015311800000000, 0.0012251600000000, 0.0013236700000000 ] - [ 0.0001534300000000, -0.0001980300000000, -0.0025855000000000 ] - [ 0.0017302900000000, -0.0000875200000000, -0.0016643800000000 ] - [ 0.0002703200000000, -0.0003549700000000, 0.0009410900000000 ] - [ 0.0000980500000000, -0.0000359400000000, 0.0009420600000000 ] - [ -0.0000559100000000, -0.0031759000000000, -0.0033434400000000 ] - [ -0.0001262100000000, -0.0001928500000000, 0.0012043800000000 ] - [ 0.0049171400000000, -0.0031106200000000, 0.0056263300000000 ] - [ 0.0006151000000000, 0.0000329800000000, 0.0012478700000000 ] - [ 0.0008793000000000, 0.0003201600000000, 0.0016094500000000 ] - [ -0.0065153200000000, 0.0022220400000000, -0.0016809000000000 ] - [ -0.0001026700000000, 0.0004719300000000, 0.0022506400000000 ] - [ 0.0008307700000000, 0.0005319400000000, 0.0000925500000000 ] - [ 0.0115248300000000, -0.0148949700000000, -0.0571080500000000 ] - [ -0.0020923900000000, 0.0003850000000000, -0.0010284900000000 ] - [ -0.0000562600000000, 0.0004377100000000, 0.0019024200000000 ] - [ -0.0002052800000000, -0.0003644100000000, 0.0016842100000000 ] - [ 0.0898458100000000, 0.0925632900000000, -0.0937880600000000 ] - [ 0.0001714100000000, -0.0003394300000000, 0.0014373400000000 ] - [ 0.0016367800000000, -0.0012381100000000, 0.0006941000000000 ] - [ -0.0004609500000000, 0.0002181600000000, 0.0026862400000000 ] - [ -0.0001040700000000, -0.0004891000000000, 0.0034864700000000 ] - [ 0.0002068200000000, 0.0007186000000000, 0.0008457200000000 ] - [ -0.0000606900000000, -0.0001821300000000, 0.0059745900000000 ] - [ -0.0019369600000000, 0.0013463400000000, -0.0037486700000000 ] - [ 0.0018543100000000, -0.0092889600000000, -0.0060215400000000 ] - [ -0.0098625300000000, 0.0022807300000000, -0.0072228400000000 ] - [ -0.0007041400000000, -0.0006674600000000, 0.0045950500000000 ] - [ -0.0003940200000000, -0.0006569500000000, 0.0019153600000000 ]- atom: 25 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ 0.0034539600000000, -0.0001271100000000, 0.0005915100000000 ] - [ 0.0021947100000000, -0.0008347200000000, 0.0006543900000000 ] - [ 0.0000924000000000, 0.0003412000000000, 0.0001303700000000 ] - [ -0.0014957900000000, 0.0003249700000000, -0.0003433900000000 ] - [ 0.0072459600000000, -0.0028183400000000, -0.0097400500000000 ] - [ -0.0005363800000000, 0.0000865000000000, 0.0011839900000000 ] - [ -0.0000759400000000, 0.0000846400000000, 0.0009998800000000 ] - [ 0.0004888800000000, -0.0002761500000000, -0.0009089700000000 ] - [ 0.0118033100000000, -0.0028621000000000, 0.0051402600000000 ] - [ -0.0002750600000000, -0.0000636800000000, 0.0006537900000000 ] - [ -0.0009972300000000, 0.0017280900000000, 0.0014963200000000 ] - [ 0.0002190800000000, 0.0001119100000000, -0.0001685900000000 ] - [ -0.0007475000000000, -0.0000727500000000, 0.0000438700000000 ] - [ -0.0040545500000000, 0.0030629700000000, 0.0000274500000000 ] - [ -0.0000955600000000, -0.0000540800000000, 0.0004056200000000 ] - [ 0.0046530200000000, -0.0005380000000000, 0.0004453200000000 ] - [ 0.0067971500000000, 0.0092896000000000, -0.0018805300000000 ] - [ -0.0004314600000000, -0.0001467000000000, 0.0003208700000000 ] - [ 0.0019657800000000, 0.0009435200000000, 0.0029626000000000 ] - [ 0.0004593000000000, 0.0003785000000000, 0.0002156300000000 ] - [ 0.0000721000000000, -0.0004900700000000, 0.0000168000000000 ] - [ 0.0004809500000000, 0.0019829800000000, -0.0006508800000000 ] - [ -0.0004420000000000, -0.0008794800000000, 0.0017491900000000 ] - [ 0.0003316300000000, -0.0002514500000000, 0.0000561800000000 ] - [ -0.2145585000000000, -0.1060107900000000, -0.0180264200000000 ] - [ 0.0003084700000000, -0.0002059700000000, 0.0001457000000000 ] - [ 0.0027074700000000, 0.0010832700000000, 0.0001754700000000 ] - [ -0.0004673900000000, 0.0003099800000000, -0.0002132600000000 ] - [ -0.0007365500000000, -0.0004209400000000, -0.0008741800000000 ] - [ 0.0017467000000000, 0.0049936900000000, 0.0115309400000000 ] - [ 0.0005567000000000, 0.0004509300000000, 0.0005180400000000 ] - [ -0.0003761600000000, 0.0007541000000000, -0.0007458800000000 ] - [ -0.0000323000000000, -0.0000683600000000, -0.0005503100000000 ] - [ 0.0002573200000000, -0.0002538200000000, -0.0004001500000000 ] - [ -0.0000425800000000, 0.0000103600000000, 0.0002896700000000 ] - [ 0.0213876000000000, 0.0125778600000000, -0.0041388500000000 ] - [ -0.0009172700000000, 0.0004579500000000, -0.0014228800000000 ] - [ 0.0000763600000000, 0.0005386700000000, -0.0005376200000000 ] - [ 0.0006366800000000, 0.0000528200000000, -0.0000266700000000 ] - [ 0.0009674500000000, 0.0001130400000000, -0.0008510000000000 ] - [ -0.0005734200000000, -0.0001819300000000, -0.0009686100000000 ] - [ 0.0000779600000000, 0.0000542000000000, 0.0004242300000000 ] - [ 0.0014326900000000, -0.0019656600000000, 0.0016318300000000 ] - [ 0.0012774200000000, -0.0015882200000000, -0.0014650700000000 ] - [ -0.0069974200000000, 0.0077402000000000, -0.0002836300000000 ] - [ -0.0001980800000000, 0.0004627100000000, -0.0002038600000000 ] - [ 0.0012017400000000, 0.0016918400000000, -0.0010378700000000 ] - [ -0.0002705700000000, 0.0002149200000000, 0.0010561200000000 ] - [ -0.0003542800000000, 0.0000522000000000, 0.0001291000000000 ] - [ -0.0040906000000000, 0.0014184700000000, -0.0006046100000000 ] - [ 0.0001512100000000, -0.0000272900000000, -0.0000465600000000 ] - [ 0.0030248300000000, -0.0000234700000000, -0.0003019900000000 ] - [ -0.0003600300000000, 0.0003163900000000, -0.0001102300000000 ] - [ -0.0031417600000000, -0.0004849500000000, -0.0003206600000000 ] - [ 0.0000938700000000, -0.0003246500000000, 0.0000872100000000 ] - [ 0.0014028700000000, -0.0003600700000000, 0.0002684900000000 ] - [ 0.0018821300000000, 0.0002778500000000, 0.0007630300000000 ] - [ 0.0021835700000000, -0.0002756800000000, -0.0003560100000000 ] - [ -0.0003288100000000, -0.0002674600000000, -0.0001071200000000 ] - [ -0.0004946300000000, -0.0001337300000000, 0.0000854900000000 ] - [ 0.0547987500000000, -0.0107045800000000, -0.0185535000000000 ] - [ -0.0003226100000000, -0.0002689400000000, -0.0001266800000000 ] - [ -0.0025524500000000, -0.0012477700000000, -0.0004587900000000 ] - [ 0.0003294100000000, 0.0000294200000000, -0.0003147600000000 ] - [ 0.0012050300000000, -0.0000205700000000, 0.0008252200000000 ] - [ 0.0006255400000000, -0.0030732300000000, -0.0011990700000000 ] - [ -0.0004609600000000, 0.0001235600000000, -0.0002289200000000 ] - [ -0.0029106400000000, -0.0025473700000000, 0.0083397700000000 ] - [ -0.0006853600000000, 0.0003967300000000, 0.0010995200000000 ] - [ -0.0047460300000000, 0.0018266500000000, -0.0029725000000000 ] - [ 0.0003184500000000, -0.0000036400000000, -0.0010472900000000 ] - [ 0.0007505400000000, 0.0002642900000000, 0.0002664700000000 ] - [ 0.0046417200000000, -0.0086027400000000, -0.0002885800000000 ] - [ 0.0009362700000000, -0.0002215700000000, -0.0011535700000000 ] - [ -0.0041690900000000, 0.0010409500000000, -0.0090378100000000 ] - [ -0.0003748300000000, -0.0000837500000000, -0.0002803300000000 ] - [ -0.0000117100000000, -0.0002841100000000, 0.0002716400000000 ] - [ -0.0013438700000000, -0.0017800100000000, 0.0006632100000000 ] - [ 0.0002648000000000, 0.0002448100000000, 0.0003407600000000 ] - [ 0.1225013000000000, 0.0931127500000000, 0.0354769100000000 ] - [ -0.0073334600000000, 0.0004759000000000, 0.0020559700000000 ] - [ -0.0009704800000000, 0.0016486400000000, -0.0020557700000000 ] - [ 0.0004359500000000, -0.0004857300000000, -0.0002007800000000 ] - [ 0.0005342800000000, 0.0002616100000000, 0.0016653900000000 ]- atom: 25 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ -0.0047724800000000, -0.0005284300000000, -0.0005813900000000 ] - [ -0.0008703300000000, 0.0001805300000000, -0.0006585700000000 ] - [ 0.0012330500000000, 0.0003103800000000, -0.0001301300000000 ] - [ 0.0001770600000000, 0.0003240600000000, 0.0003473000000000 ] - [ -0.0069454200000000, 0.0032401600000000, 0.0087219300000000 ] - [ 0.0002100800000000, 0.0003207200000000, -0.0001362400000000 ] - [ -0.0002470600000000, -0.0004935000000000, 0.0000497400000000 ] - [ -0.0001705300000000, -0.0001337700000000, -0.0001382900000000 ] - [ -0.0111489500000000, 0.0027503300000000, -0.0061444700000000 ] - [ -0.0004870700000000, -0.0000926000000000, 0.0003218200000000 ] - [ 0.0002431100000000, -0.0015839600000000, -0.0005174200000000 ] - [ 0.0005380700000000, 0.0000397300000000, -0.0008099100000000 ] - [ 0.0014557100000000, 0.0002344100000000, -0.0008455900000000 ] - [ 0.0033447300000000, -0.0028758400000000, 0.0008031600000000 ] - [ -0.0006331200000000, -0.0001226000000000, 0.0004090100000000 ] - [ -0.0039136100000000, 0.0003535900000000, -0.0012837900000000 ] - [ -0.0060061600000000, -0.0099933400000000, 0.0023538700000000 ] - [ -0.0004454500000000, -0.0004906400000000, -0.0007558400000000 ] - [ -0.0028455700000000, -0.0003146000000000, -0.0034128800000000 ] - [ 0.0004183400000000, 0.0002644500000000, 0.0002164600000000 ] - [ -0.0002190300000000, -0.0005524400000000, 0.0000178700000000 ] - [ 0.0001759000000000, -0.0016336900000000, 0.0010106000000000 ] - [ -0.0001983800000000, 0.0005336200000000, -0.0021066000000000 ] - [ 0.0003182600000000, -0.0000969200000000, 0.0002984600000000 ] - [ 0.2137462000000000, 0.0995099900000000, 0.0138541400000000 ] - [ 0.0012299200000000, -0.0005941400000000, 0.0003200500000000 ] - [ -0.0011711600000000, -0.0002779200000000, 0.0002934400000000 ] - [ -0.0010698200000000, 0.0004970900000000, -0.0002592100000000 ] - [ -0.0000717700000000, -0.0004704400000000, 0.0005671000000000 ] - [ -0.0009858600000000, -0.0058118600000000, -0.0110763800000000 ] - [ 0.0002515900000000, 0.0004397400000000, -0.0002222900000000 ] - [ -0.0004381200000000, 0.0001413600000000, 0.0004524500000000 ] - [ 0.0002027400000000, -0.0000039000000000, -0.0004603500000000 ] - [ -0.0004530900000000, 0.0001964800000000, 0.0013885100000000 ] - [ -0.0001297200000000, 0.0000472100000000, 0.0006923600000000 ] - [ -0.0206418100000000, -0.0122333400000000, 0.0030513400000000 ] - [ 0.0005972800000000, 0.0007351500000000, 0.0027459700000000 ] - [ 0.0002333900000000, 0.0006605500000000, -0.0007978300000000 ] - [ -0.0003253600000000, -0.0012610300000000, -0.0013093800000000 ] - [ -0.0012511600000000, -0.0013000800000000, 0.0021932800000000 ] - [ 0.0001154700000000, 0.0004946200000000, 0.0006280100000000 ] - [ 0.0003755300000000, 0.0002601800000000, -0.0000844600000000 ] - [ -0.0009804500000000, 0.0016442600000000, -0.0012754000000000 ] - [ -0.0017317200000000, 0.0012857800000000, 0.0011285700000000 ] - [ 0.0067123300000000, -0.0067506000000000, 0.0002881100000000 ] - [ 0.0003365700000000, 0.0006059400000000, 0.0001601800000000 ] - [ -0.0010538200000000, -0.0027049400000000, 0.0009997900000000 ] - [ -0.0003806100000000, 0.0001358200000000, -0.0014206100000000 ] - [ 0.0003666100000000, -0.0001149900000000, -0.0001019000000000 ] - [ 0.0040610100000000, -0.0014734800000000, 0.0005733300000000 ] - [ -0.0001644200000000, 0.0000910300000000, 0.0000225000000000 ] - [ -0.0030254600000000, 0.0001284500000000, 0.0003815800000000 ] - [ 0.0004988500000000, 0.0004639100000000, -0.0000300900000000 ] - [ 0.0029959500000000, 0.0012568500000000, 0.0004520900000000 ] - [ -0.0002314700000000, -0.0004564700000000, 0.0000570100000000 ] - [ -0.0012677800000000, -0.0004183800000000, -0.0004208800000000 ] - [ -0.0021144100000000, 0.0001032400000000, -0.0007291400000000 ] - [ -0.0019539600000000, 0.0006634600000000, 0.0003432200000000 ] - [ 0.0005599700000000, -0.0001191000000000, 0.0000910500000000 ] - [ 0.0002647500000000, -0.0002542600000000, -0.0000643500000000 ] - [ -0.0575685200000000, 0.0111276000000000, 0.0195048100000000 ] - [ -0.0008163800000000, 0.0000112300000000, 0.0008436200000000 ] - [ 0.0014034200000000, 0.0015074700000000, 0.0011819500000000 ] - [ 0.0008107900000000, 0.0002268700000000, -0.0003971900000000 ] - [ -0.0006694100000000, -0.0003033800000000, -0.0003031500000000 ] - [ -0.0011462000000000, 0.0027804100000000, 0.0006881300000000 ] - [ -0.0000737700000000, 0.0001982600000000, -0.0002849600000000 ] - [ 0.0034553900000000, 0.0028384700000000, -0.0077556700000000 ] - [ 0.0011133200000000, -0.0005210400000000, -0.0011550900000000 ] - [ 0.0043209800000000, -0.0019595600000000, 0.0030254400000000 ] - [ -0.0007469400000000, 0.0001275700000000, 0.0011080100000000 ] - [ -0.0003233600000000, -0.0001382600000000, -0.0003255800000000 ] - [ -0.0049151400000000, 0.0088428900000000, -0.0001287900000000 ] - [ -0.0006801900000000, 0.0004519800000000, 0.0015599300000000 ] - [ 0.0044077600000000, -0.0012709800000000, 0.0094452100000000 ] - [ 0.0001226600000000, -0.0001453500000000, -0.0001198800000000 ] - [ 0.0004484600000000, -0.0005321500000000, 0.0006575400000000 ] - [ 0.0009357200000000, 0.0009579000000000, -0.0015958800000000 ] - [ -0.0007072200000000, 0.0005643000000000, -0.0012600200000000 ] - [ -0.1189995500000000, -0.0876400900000000, -0.0327211700000000 ] - [ 0.0075080400000000, 0.0005779100000000, -0.0024243700000000 ] - [ 0.0007721200000000, -0.0005879700000000, 0.0024571600000000 ] - [ -0.0006343600000000, -0.0005654700000000, 0.0005990400000000 ] - [ -0.0003349900000000, -0.0013044600000000, -0.0020599800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006581600000000, -0.0004334000000000, 0.0002596300000000 ] - [ 0.0010437200000000, 0.0000123500000000, 0.0001694000000000 ] - [ 0.0006095600000000, 0.0006216100000000, 0.0003309700000000 ] - [ -0.0007724000000000, 0.0000909600000000, -0.0000004600000000 ] - [ -0.0004546100000000, -0.0007866500000000, 0.0001735300000000 ] - [ -0.0003842600000000, 0.0006277600000000, 0.0005710800000000 ] - [ -0.0001597000000000, -0.0000005400000000, 0.0009219800000000 ] - [ 0.0001492900000000, -0.0005051700000000, -0.0004954700000000 ] - [ 0.0005811700000000, -0.0014883300000000, -0.0012919000000000 ] - [ -0.0003472300000000, -0.0000447000000000, 0.0006776300000000 ] - [ -0.0000291200000000, 0.0021188800000000, 0.0009679200000000 ] - [ 0.0003487300000000, 0.0001026900000000, -0.0000728100000000 ] - [ 0.0000086100000000, -0.0000176000000000, -0.0000047500000000 ] - [ -0.0013976400000000, 0.0076904700000000, -0.0003479300000000 ] - [ -0.0002737900000000, -0.0000714700000000, 0.0005123100000000 ] - [ 0.0014525300000000, -0.0006312800000000, -0.0006866000000000 ] - [ 0.0049650300000000, 0.0053304800000000, -0.0012545200000000 ] - [ -0.0004521100000000, -0.0000749400000000, 0.0001583100000000 ] - [ 0.0017468000000000, -0.0007643600000000, 0.0013108100000000 ] - [ 0.0004499200000000, 0.0004088400000000, 0.0003082700000000 ] - [ -0.0000393500000000, -0.0005761900000000, 0.0001205200000000 ] - [ 0.0010289200000000, 0.0019763300000000, -0.0005690400000000 ] - [ -0.0006235200000000, -0.0006944100000000, -0.0003198300000000 ] - [ 0.0002365600000000, -0.0000939000000000, 0.0003775300000000 ] - [ -0.1064511700000000, -0.1732090800000000, -0.0643911800000000 ] - [ 0.0005995700000000, -0.0002996600000000, 0.0001954700000000 ] - [ 0.0014747200000000, 0.0008762700000000, 0.0004481700000000 ] - [ -0.0007008500000000, 0.0003952300000000, -0.0001245200000000 ] - [ -0.0004353000000000, -0.0003373400000000, -0.0006922600000000 ] - [ 0.0056183900000000, -0.0038679800000000, 0.0082380800000000 ] - [ 0.0004497100000000, 0.0004174200000000, 0.0003502500000000 ] - [ -0.0004364200000000, 0.0006242900000000, -0.0002407200000000 ] - [ 0.0000201300000000, -0.0000357100000000, -0.0003494000000000 ] - [ -0.0001679600000000, 0.0038982500000000, -0.0007275000000000 ] - [ -0.0000705600000000, 0.0000235000000000, 0.0004330400000000 ] - [ 0.0045132400000000, -0.0044449200000000, -0.0021889800000000 ] - [ -0.0001996700000000, 0.0000341500000000, -0.0003890800000000 ] - [ 0.0001924600000000, 0.0005591000000000, -0.0004441600000000 ] - [ 0.0012288500000000, 0.0010457300000000, 0.0006712800000000 ] - [ -0.0000669000000000, -0.0007214600000000, 0.0008946100000000 ] - [ -0.0007060700000000, -0.0004984600000000, 0.0006666500000000 ] - [ 0.0002212600000000, 0.0003262900000000, 0.0003235300000000 ] - [ -0.0004692300000000, -0.0000089400000000, -0.0007586000000000 ] - [ -0.0000308500000000, 0.0001392100000000, -0.0003274600000000 ] - [ 0.0098472900000000, 0.0282950300000000, 0.0020904400000000 ] - [ -0.0000050400000000, 0.0003741100000000, -0.0000750500000000 ] - [ 0.0003881100000000, 0.0005733400000000, -0.0005845300000000 ] - [ -0.0002831700000000, -0.0000422900000000, 0.0007201000000000 ] - [ -0.0000937900000000, -0.0000997800000000, -0.0000527800000000 ] - [ -0.0005909600000000, 0.0009533400000000, -0.0001079900000000 ] - [ 0.0000512600000000, -0.0000227300000000, -0.0001122800000000 ] - [ 0.0001982600000000, 0.0040211100000000, 0.0044649000000000 ] - [ -0.0000436500000000, 0.0005064900000000, -0.0001314500000000 ] - [ -0.0010925800000000, -0.0001332500000000, 0.0000393600000000 ] - [ -0.0000197300000000, -0.0003215100000000, -0.0000385000000000 ] - [ 0.0009730500000000, -0.0015637700000000, 0.0017536000000000 ] - [ 0.0002116700000000, 0.0001817800000000, 0.0027904700000000 ] - [ 0.0009770100000000, -0.0005315400000000, -0.0008076300000000 ] - [ 0.0000242800000000, -0.0001335600000000, -0.0001448600000000 ] - [ -0.0002061400000000, -0.0002574500000000, 0.0000156900000000 ] - [ -0.0131292900000000, 0.0065336100000000, 0.0057635000000000 ] - [ -0.0004698100000000, -0.0003822300000000, 0.0002230100000000 ] - [ -0.0016906600000000, -0.0004362500000000, -0.0004420300000000 ] - [ 0.0004665700000000, 0.0000493100000000, -0.0005772600000000 ] - [ 0.0004243700000000, 0.0000148800000000, 0.0000789200000000 ] - [ -0.0011558400000000, -0.0108253600000000, -0.0020796800000000 ] - [ -0.0003746400000000, 0.0001998700000000, -0.0004027000000000 ] - [ -0.0008760800000000, 0.0000150300000000, 0.0025004100000000 ] - [ -0.0002351800000000, -0.0004096200000000, 0.0008545200000000 ] - [ -0.0024528900000000, 0.0027420900000000, -0.0008608100000000 ] - [ -0.0001808100000000, 0.0001070800000000, -0.0000726100000000 ] - [ 0.0004775900000000, -0.0001776100000000, -0.0003069000000000 ] - [ -0.0008604200000000, -0.0073031400000000, 0.0001032000000000 ] - [ 0.0004784600000000, -0.0001555800000000, -0.0008807800000000 ] - [ -0.0016950800000000, 0.0027983100000000, 0.0002830900000000 ] - [ -0.0001411200000000, -0.0002466800000000, -0.0004883800000000 ] - [ 0.0002068300000000, -0.0003596300000000, 0.0001755600000000 ] - [ -0.0005094800000000, -0.0016963400000000, -0.0001828400000000 ] - [ -0.0000310800000000, 0.0003935000000000, 0.0000098600000000 ] - [ 0.0986559200000000, 0.1406571900000000, 0.0444667800000000 ] - [ -0.0004673300000000, 0.0001414100000000, -0.0003445700000000 ] - [ 0.0000454700000000, -0.0016152600000000, -0.0006478800000000 ] - [ -0.0000534500000000, -0.0007047200000000, -0.0003596600000000 ] - [ 0.0003034300000000, 0.0011474700000000, -0.0000360600000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019577600000000, -0.0002184700000000, -0.0002447200000000 ] - [ 0.0002746100000000, -0.0006663000000000, -0.0001823900000000 ] - [ 0.0006947500000000, 0.0000284800000000, -0.0003450600000000 ] - [ -0.0005401300000000, 0.0005599900000000, 0.0000164700000000 ] - [ 0.0008250100000000, 0.0011780000000000, -0.0012739500000000 ] - [ 0.0000556800000000, -0.0002187500000000, 0.0004906300000000 ] - [ -0.0001719100000000, -0.0004082500000000, 0.0001305900000000 ] - [ 0.0001830800000000, 0.0000938600000000, -0.0005603900000000 ] - [ 0.0002059400000000, 0.0013383000000000, 0.0003645300000000 ] - [ -0.0004052400000000, -0.0001031600000000, 0.0002715300000000 ] - [ -0.0007371900000000, -0.0019738800000000, -0.0000262000000000 ] - [ 0.0004010700000000, 0.0000433300000000, -0.0008806500000000 ] - [ 0.0006941300000000, 0.0001935900000000, -0.0008184400000000 ] - [ 0.0006719500000000, -0.0075456400000000, 0.0012077900000000 ] - [ -0.0004399900000000, -0.0001204400000000, 0.0003290200000000 ] - [ -0.0007324000000000, 0.0004412600000000, -0.0001467200000000 ] - [ -0.0041114300000000, -0.0059630400000000, 0.0016981500000000 ] - [ -0.0004418700000000, -0.0005698200000000, -0.0005849700000000 ] - [ -0.0026407000000000, 0.0014211900000000, -0.0017391600000000 ] - [ 0.0004385500000000, 0.0002288900000000, 0.0001184100000000 ] - [ -0.0001309900000000, -0.0004727400000000, -0.0000996300000000 ] - [ -0.0004035900000000, -0.0016618800000000, 0.0009375100000000 ] - [ -0.0000126700000000, 0.0003736600000000, -0.0000308800000000 ] - [ 0.0003974400000000, -0.0002181000000000, -0.0000279300000000 ] - [ 0.0991602400000000, 0.1683780600000000, 0.0621052700000000 ] - [ 0.0009518000000000, -0.0005365100000000, 0.0002878000000000 ] - [ 0.0000836100000000, -0.0000340300000000, 0.0000340800000000 ] - [ -0.0008499300000000, 0.0004421600000000, -0.0003587500000000 ] - [ -0.0003738900000000, -0.0005553800000000, 0.0003872900000000 ] - [ -0.0047714900000000, 0.0029172100000000, -0.0078330400000000 ] - [ 0.0003532100000000, 0.0004722400000000, -0.0000414200000000 ] - [ -0.0003582400000000, 0.0002610600000000, -0.0000727300000000 ] - [ 0.0001845600000000, -0.0000146900000000, -0.0006530000000000 ] - [ -0.0000107300000000, -0.0039359700000000, 0.0017040900000000 ] - [ -0.0001332500000000, 0.0000164800000000, 0.0005470800000000 ] - [ -0.0042173600000000, 0.0044453300000000, 0.0011847500000000 ] - [ -0.0001241900000000, 0.0011811900000000, 0.0017347000000000 ] - [ 0.0001299600000000, 0.0006629400000000, -0.0009038100000000 ] - [ -0.0009171600000000, -0.0022457900000000, -0.0020075400000000 ] - [ -0.0002284100000000, -0.0004816900000000, 0.0004491800000000 ] - [ 0.0002598600000000, 0.0008129300000000, -0.0009938000000000 ] - [ 0.0002228200000000, -0.0000243900000000, 0.0000070800000000 ] - [ 0.0009166200000000, -0.0002956600000000, 0.0010976500000000 ] - [ -0.0004078800000000, -0.0004526000000000, -0.0000138500000000 ] - [ -0.0097806100000000, -0.0265013300000000, -0.0020426400000000 ] - [ 0.0001617100000000, 0.0006984300000000, 0.0000444700000000 ] - [ -0.0002095500000000, -0.0016358700000000, 0.0005608100000000 ] - [ -0.0003581500000000, 0.0003656800000000, -0.0010706900000000 ] - [ 0.0001018800000000, 0.0000331200000000, 0.0000707300000000 ] - [ 0.0005790800000000, -0.0010300900000000, 0.0000914700000000 ] - [ -0.0000600900000000, 0.0000905900000000, 0.0000960400000000 ] - [ -0.0001955800000000, -0.0040934700000000, -0.0047396600000000 ] - [ 0.0001838300000000, 0.0002672900000000, -0.0000108600000000 ] - [ 0.0009482300000000, 0.0009205600000000, 0.0001046500000000 ] - [ -0.0001185600000000, -0.0004585600000000, 0.0001850500000000 ] - [ -0.0008256600000000, 0.0007887800000000, -0.0018787200000000 ] - [ -0.0004399300000000, 0.0001927500000000, -0.0027710300000000 ] - [ -0.0007474300000000, 0.0009275100000000, 0.0007817800000000 ] - [ 0.0002034400000000, -0.0002574100000000, 0.0001268600000000 ] - [ -0.0000232400000000, -0.0001291900000000, 0.0000035600000000 ] - [ 0.0145207000000000, -0.0070495100000000, -0.0066028200000000 ] - [ -0.0006674600000000, 0.0001274300000000, 0.0004870200000000 ] - [ 0.0005483700000000, 0.0006822600000000, 0.0011758400000000 ] - [ 0.0006698900000000, 0.0002086400000000, -0.0001350500000000 ] - [ 0.0001123800000000, -0.0003402400000000, 0.0004444100000000 ] - [ 0.0005783900000000, 0.0104484300000000, 0.0015322700000000 ] - [ -0.0001603900000000, 0.0001205100000000, -0.0001122200000000 ] - [ 0.0014042000000000, 0.0003191300000000, -0.0019839500000000 ] - [ 0.0006562500000000, 0.0002935000000000, -0.0009223700000000 ] - [ 0.0020266700000000, -0.0028722500000000, 0.0009219100000000 ] - [ -0.0002416600000000, 0.0000171500000000, 0.0001291800000000 ] - [ -0.0000532700000000, 0.0002977600000000, 0.0002522500000000 ] - [ 0.0006315700000000, 0.0075468100000000, -0.0005041700000000 ] - [ -0.0002063000000000, 0.0003967500000000, 0.0012843800000000 ] - [ 0.0019674300000000, -0.0030509300000000, 0.0000683100000000 ] - [ -0.0001278800000000, 0.0000003800000000, 0.0000866100000000 ] - [ 0.0002357900000000, -0.0004632000000000, 0.0007551500000000 ] - [ 0.0000409300000000, 0.0008770000000000, -0.0007377100000000 ] - [ -0.0004146800000000, 0.0004197700000000, -0.0009474000000000 ] - [ -0.0930639100000000, -0.1359523800000000, -0.0414049000000000 ] - [ 0.0006107000000000, 0.0009109200000000, -0.0000459100000000 ] - [ -0.0002253500000000, 0.0026563900000000, 0.0010403300000000 ] - [ -0.0001231400000000, -0.0003500500000000, 0.0007698600000000 ] - [ -0.0001251000000000, -0.0021960400000000, -0.0003674200000000 ]- atom: 25 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ -0.0024052700000000, -0.0004707700000000, -0.0006149400000000 ] - [ 0.0000423400000000, -0.0002743500000000, -0.0002566300000000 ] - [ 0.0012363600000000, 0.0005322100000000, 0.0005701100000000 ] - [ 0.0000064900000000, 0.0001749100000000, 0.0011002300000000 ] - [ -0.0080359900000000, 0.0035244600000000, 0.0087911600000000 ] - [ 0.0000891000000000, 0.0000966500000000, 0.0004213900000000 ] - [ -0.0002705400000000, -0.0001711700000000, 0.0008044300000000 ] - [ -0.0005614000000000, -0.0004655900000000, 0.0010183200000000 ] - [ -0.0037490700000000, 0.0004364200000000, -0.0038511700000000 ] - [ -0.0003697500000000, -0.0000268000000000, 0.0015301900000000 ] - [ 0.0003096100000000, -0.0002737300000000, -0.0019746200000000 ] - [ 0.0005646200000000, 0.0001029800000000, 0.0009166700000000 ] - [ 0.0007990700000000, 0.0001243600000000, 0.0005293200000000 ] - [ 0.0012520600000000, -0.0027866900000000, -0.0008402200000000 ] - [ -0.0004555500000000, -0.0001185700000000, 0.0009644600000000 ] - [ -0.0011320500000000, -0.0001552500000000, -0.0008414800000000 ] - [ -0.0034873900000000, -0.0060041200000000, -0.0004635800000000 ] - [ -0.0003809000000000, -0.0000310000000000, 0.0004232600000000 ] - [ 0.0011339200000000, 0.0004546000000000, -0.0006601200000000 ] - [ 0.0004068100000000, 0.0003402600000000, 0.0008209200000000 ] - [ -0.0001221700000000, -0.0004585400000000, 0.0006856000000000 ] - [ 0.0004183000000000, -0.0004902300000000, -0.0004842200000000 ] - [ 0.0004527200000000, -0.0002670800000000, -0.0004384100000000 ] - [ 0.0000267100000000, 0.0001844600000000, 0.0011957300000000 ] - [ 0.0926294000000000, -0.0044180100000000, -0.0558780000000000 ] - [ 0.0009270000000000, -0.0004665800000000, 0.0007240700000000 ] - [ -0.0002356200000000, 0.0002505800000000, -0.0000598400000000 ] - [ -0.0009065900000000, 0.0003604900000000, 0.0004323900000000 ] - [ -0.0002643600000000, -0.0004970900000000, 0.0006082000000000 ] - [ 0.0112231000000000, 0.0052119700000000, 0.0017463600000000 ] - [ 0.0005286800000000, 0.0005159700000000, 0.0011698900000000 ] - [ -0.0005343800000000, 0.0003312300000000, 0.0002903200000000 ] - [ -0.0002104500000000, 0.0000503700000000, 0.0005634000000000 ] - [ -0.0006833300000000, 0.0013148900000000, 0.0002379500000000 ] - [ -0.0003999400000000, 0.0000915500000000, 0.0013151900000000 ] - [ -0.0139956700000000, -0.0092538000000000, -0.0051020700000000 ] - [ -0.0005415700000000, 0.0002866600000000, 0.0030010800000000 ] - [ 0.0004070100000000, 0.0004115000000000, 0.0001248400000000 ] - [ -0.0002845900000000, -0.0010835000000000, -0.0022065100000000 ] - [ -0.0009831400000000, -0.0014165200000000, 0.0026649100000000 ] - [ -0.0007525400000000, 0.0004126000000000, 0.0021082700000000 ] - [ 0.0003592600000000, 0.0001440800000000, 0.0006556600000000 ] - [ 0.0003874400000000, -0.0007890600000000, -0.0007221900000000 ] - [ -0.0015698400000000, 0.0017338300000000, 0.0013016000000000 ] - [ 0.0021010500000000, -0.0048973000000000, -0.0068988800000000 ] - [ 0.0001565200000000, 0.0004053200000000, 0.0005904400000000 ] - [ -0.0006416800000000, -0.0016612600000000, 0.0001177500000000 ] - [ -0.0004043800000000, 0.0000841700000000, 0.0007733200000000 ] - [ 0.0001995600000000, -0.0001892800000000, -0.0005887900000000 ] - [ 0.0021284100000000, -0.0010278200000000, 0.0015538000000000 ] - [ -0.0000135600000000, 0.0000578000000000, -0.0006405800000000 ] - [ -0.0019813600000000, 0.0032106700000000, 0.0074727300000000 ] - [ 0.0002364200000000, 0.0006529000000000, -0.0005532700000000 ] - [ 0.0013571800000000, 0.0010170000000000, 0.0014896900000000 ] - [ -0.0001285100000000, -0.0004059500000000, -0.0006087100000000 ] - [ -0.0005807100000000, 0.0006114800000000, -0.0001545600000000 ] - [ -0.0006436000000000, 0.0019823300000000, -0.0021767400000000 ] - [ -0.0002646100000000, -0.0007492000000000, -0.0001943900000000 ] - [ 0.0003949200000000, -0.0002531000000000, -0.0004514600000000 ] - [ 0.0000623200000000, -0.0001186300000000, -0.0004469700000000 ] - [ -0.0490017500000000, 0.0099408500000000, 0.0205580800000000 ] - [ -0.0007850200000000, -0.0004534500000000, -0.0002632500000000 ] - [ 0.0000543900000000, -0.0004613200000000, 0.0011744000000000 ] - [ 0.0004749300000000, 0.0001923300000000, -0.0017830500000000 ] - [ -0.0001231000000000, -0.0001082500000000, -0.0013647900000000 ] - [ -0.0004016600000000, 0.0010803400000000, 0.0022252100000000 ] - [ -0.0002921900000000, 0.0001406100000000, -0.0012575700000000 ] - [ 0.0027693200000000, 0.0022654200000000, -0.0034889000000000 ] - [ 0.0004840700000000, -0.0008109400000000, 0.0000578000000000 ] - [ -0.0014256400000000, 0.0019025500000000, -0.0000148400000000 ] - [ -0.0008315800000000, 0.0001570800000000, -0.0006621100000000 ] - [ 0.0001119900000000, -0.0006853000000000, -0.0012205700000000 ] - [ -0.0031300500000000, 0.0043390400000000, 0.0034242800000000 ] - [ -0.0000980200000000, -0.0001373600000000, -0.0018730400000000 ] - [ -0.0007839600000000, 0.0009259800000000, 0.0046634100000000 ] - [ 0.0002831300000000, -0.0003776300000000, -0.0017208500000000 ] - [ 0.0005620400000000, -0.0004375700000000, -0.0012192500000000 ] - [ 0.0008530300000000, 0.0001195400000000, -0.0009641700000000 ] - [ -0.0001739300000000, 0.0005877500000000, -0.0018578000000000 ] - [ -0.0279200600000000, -0.0052528100000000, 0.0310192000000000 ] - [ 0.0065067000000000, 0.0006053100000000, -0.0032302000000000 ] - [ 0.0001262600000000, 0.0012528100000000, 0.0013318300000000 ] - [ -0.0005729700000000, -0.0003324500000000, -0.0009801000000000 ] - [ 0.0004681800000000, -0.0003402000000000, -0.0041590000000000 ]- atom: 25 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ 0.0010812300000000, -0.0001862900000000, 0.0006281300000000 ] - [ 0.0012560400000000, -0.0003761100000000, 0.0002300500000000 ] - [ 0.0000731000000000, 0.0001185100000000, -0.0005851300000000 ] - [ -0.0013089100000000, 0.0004774300000000, -0.0010773700000000 ] - [ 0.0082701200000000, -0.0030588300000000, -0.0097053500000000 ] - [ -0.0004154700000000, 0.0003137700000000, 0.0006233600000000 ] - [ -0.0000583000000000, -0.0002394800000000, 0.0002499300000000 ] - [ 0.0008899700000000, 0.0000571600000000, -0.0020740100000000 ] - [ 0.0044789100000000, -0.0005784800000000, 0.0029247000000000 ] - [ -0.0003806600000000, -0.0001217200000000, -0.0005690200000000 ] - [ -0.0010539400000000, 0.0004123800000000, 0.0029301300000000 ] - [ 0.0001886700000000, 0.0000442700000000, -0.0018763200000000 ] - [ -0.0000860500000000, 0.0000528800000000, -0.0013543600000000 ] - [ -0.0019469600000000, 0.0029455700000000, 0.0016616900000000 ] - [ -0.0002590100000000, -0.0000637500000000, -0.0001377100000000 ] - [ 0.0018230100000000, -0.0000188400000000, 0.0000183500000000 ] - [ 0.0043402500000000, 0.0053251900000000, 0.0008989900000000 ] - [ -0.0005126200000000, -0.0006204600000000, -0.0008515900000000 ] - [ -0.0020287100000000, 0.0001886300000000, 0.0002292400000000 ] - [ 0.0004886800000000, 0.0003024500000000, -0.0003952600000000 ] - [ -0.0000427000000000, -0.0006051800000000, -0.0006599500000000 ] - [ 0.0002260800000000, 0.0008142900000000, 0.0008344700000000 ] - [ -0.0010914400000000, -0.0000468700000000, 0.0000916800000000 ] - [ 0.0006162600000000, -0.0005090800000000, -0.0008439100000000 ] - [ -0.0908387000000000, 0.0042222000000000, 0.0552927700000000 ] - [ 0.0006182000000000, -0.0003671100000000, -0.0002415200000000 ] - [ 0.0017742100000000, 0.0005736700000000, 0.0005420100000000 ] - [ -0.0006439900000000, 0.0004785000000000, -0.0009144200000000 ] - [ -0.0005340800000000, -0.0003907900000000, -0.0009170700000000 ] - [ -0.0103528100000000, -0.0060823000000000, -0.0014437200000000 ] - [ 0.0002695700000000, 0.0003712500000000, -0.0008589800000000 ] - [ -0.0002675200000000, 0.0005578200000000, -0.0005845300000000 ] - [ 0.0004127100000000, -0.0001020600000000, -0.0015612000000000 ] - [ 0.0004773000000000, -0.0013834000000000, 0.0007709300000000 ] - [ 0.0002064900000000, -0.0000403000000000, -0.0003259500000000 ] - [ 0.0143752500000000, 0.0093875100000000, 0.0041679800000000 ] - [ 0.0002571700000000, 0.0009289600000000, -0.0016477100000000 ] - [ -0.0000973200000000, 0.0008030600000000, -0.0014748800000000 ] - [ 0.0005813500000000, -0.0001354400000000, 0.0008463000000000 ] - [ 0.0006734000000000, 0.0001978800000000, -0.0013011400000000 ] - [ 0.0003125800000000, -0.0001072400000000, -0.0024532700000000 ] - [ 0.0000843800000000, 0.0001649100000000, -0.0003254600000000 ] - [ 0.0000534200000000, 0.0004858900000000, 0.0010544000000000 ] - [ 0.0011130900000000, -0.0020153000000000, -0.0016156100000000 ] - [ -0.0023161200000000, 0.0058704000000000, 0.0069388900000000 ] - [ -0.0000026200000000, 0.0006589600000000, -0.0006218500000000 ] - [ 0.0007878700000000, 0.0005907800000000, -0.0001489900000000 ] - [ -0.0002399900000000, 0.0002442600000000, -0.0011347700000000 ] - [ -0.0001876900000000, 0.0001205200000000, 0.0006055300000000 ] - [ -0.0021373900000000, 0.0009557000000000, -0.0015708200000000 ] - [ 0.0000039100000000, 0.0000103500000000, 0.0006247900000000 ] - [ 0.0019407100000000, -0.0034143100000000, -0.0077550600000000 ] - [ -0.0000933000000000, 0.0001227600000000, 0.0004132500000000 ] - [ -0.0014926800000000, -0.0002397700000000, -0.0013448100000000 ] - [ -0.0000108700000000, -0.0003723000000000, 0.0007547400000000 ] - [ 0.0007166600000000, -0.0013931200000000, -0.0000002700000000 ] - [ 0.0004061300000000, -0.0015839900000000, 0.0021869100000000 ] - [ 0.0004806900000000, 0.0011379700000000, 0.0001820200000000 ] - [ -0.0001665800000000, -0.0001367500000000, 0.0004326300000000 ] - [ -0.0002899100000000, -0.0002695200000000, 0.0004649400000000 ] - [ 0.0476326200000000, -0.0097719800000000, -0.0209572100000000 ] - [ -0.0003529900000000, 0.0001967100000000, 0.0009812300000000 ] - [ -0.0011962100000000, 0.0007205200000000, -0.0004523300000000 ] - [ 0.0006641700000000, 0.0000656900000000, 0.0010732300000000 ] - [ 0.0006520100000000, -0.0002160600000000, 0.0018807100000000 ] - [ -0.0001224500000000, -0.0013579900000000, -0.0027332700000000 ] - [ -0.0002410000000000, 0.0001837800000000, 0.0007433000000000 ] - [ -0.0022439000000000, -0.0019532100000000, 0.0039938300000000 ] - [ -0.0000560700000000, 0.0006811800000000, -0.0001061300000000 ] - [ 0.0010285800000000, -0.0020376400000000, 0.0000873500000000 ] - [ 0.0004076400000000, -0.0000367400000000, 0.0007184800000000 ] - [ 0.0003080800000000, 0.0008142800000000, 0.0011636900000000 ] - [ 0.0028413100000000, -0.0040879400000000, -0.0038253200000000 ] - [ 0.0003652600000000, 0.0003812700000000, 0.0022836700000000 ] - [ 0.0010719200000000, -0.0011788700000000, -0.0042819200000000 ] - [ -0.0005495700000000, 0.0001414000000000, 0.0013177300000000 ] - [ -0.0001175400000000, -0.0003772700000000, 0.0021635500000000 ] - [ -0.0012874600000000, -0.0009293900000000, 0.0000175400000000 ] - [ -0.0002719000000000, 0.0002259900000000, 0.0009155800000000 ] - [ 0.0275306700000000, 0.0052405200000000, -0.0303011200000000 ] - [ -0.0062885000000000, 0.0004581700000000, 0.0028323800000000 ] - [ -0.0003007300000000, -0.0001979900000000, -0.0008988600000000 ] - [ 0.0004008200000000, -0.0007228500000000, 0.0013871300000000 ] - [ -0.0002958100000000, -0.0007186800000000, 0.0037699300000000 ]- atom: 29 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ 0.0001798900000000, 0.0003951900000000, 0.0006089500000000 ] - [ 0.0145988900000000, -0.0008089000000000, 0.0031374500000000 ] - [ 0.0005559700000000, 0.0003772700000000, 0.0001738000000000 ] - [ -0.0006310700000000, 0.0003432000000000, 0.0003961200000000 ] - [ -0.0009527900000000, 0.0008364200000000, 0.0001346400000000 ] - [ 0.0104579700000000, 0.0001608600000000, -0.0027950200000000 ] - [ -0.0003021200000000, -0.0001169200000000, 0.0008738400000000 ] - [ 0.0001863300000000, -0.0002672900000000, -0.0002024900000000 ] - [ 0.0004086400000000, -0.0000519000000000, 0.0000681600000000 ] - [ 0.0010927900000000, 0.0001262900000000, 0.0009563900000000 ] - [ -0.0010175100000000, -0.0001633000000000, 0.0010819400000000 ] - [ 0.0009981100000000, 0.0001084700000000, -0.0003440300000000 ] - [ 0.0007239900000000, 0.0001472800000000, -0.0006879200000000 ] - [ -0.0016028300000000, -0.0001979500000000, -0.0017604400000000 ] - [ 0.0011757500000000, 0.0000487600000000, 0.0001235000000000 ] - [ 0.0004735400000000, -0.0000867100000000, -0.0001789600000000 ] - [ -0.0002488000000000, -0.0008531700000000, 0.0009263000000000 ] - [ 0.0007313600000000, -0.0008847900000000, -0.0004593400000000 ] - [ -0.0004719800000000, 0.0002759300000000, 0.0000240400000000 ] - [ 0.0013171400000000, 0.0005436400000000, 0.0007776800000000 ] - [ -0.0003221500000000, -0.0014897500000000, -0.0003122000000000 ] - [ 0.0002629800000000, 0.0006187800000000, 0.0040790900000000 ] - [ -0.0004384600000000, -0.0002419000000000, 0.0001606600000000 ] - [ 0.0007615700000000, -0.0002258000000000, 0.0006421700000000 ] - [ -0.0011042300000000, -0.0004381200000000, -0.0002670400000000 ] - [ 0.0021162600000000, -0.0056477300000000, 0.0134723500000000 ] - [ 0.0009217500000000, 0.0004535800000000, 0.0004648500000000 ] - [ -0.0007340400000000, 0.0004522000000000, -0.0003749900000000 ] - [ -0.0971565000000000, -0.0385044100000000, -0.0512339600000000 ] - [ 0.0006239000000000, -0.0005012400000000, -0.0003453900000000 ] - [ 0.0001818500000000, 0.0003303400000000, 0.0003855100000000 ] - [ -0.0002736900000000, 0.0004097600000000, 0.0001751700000000 ] - [ -0.0012742200000000, 0.0004926500000000, 0.0001689000000000 ] - [ -0.0000427900000000, -0.0000457000000000, 0.0006109100000000 ] - [ -0.0022011700000000, -0.0006507100000000, -0.0151265000000000 ] - [ 0.0002204500000000, 0.0000081000000000, -0.0005012000000000 ] - [ -0.0000615900000000, 0.0007013400000000, 0.0009853700000000 ] - [ -0.0005191700000000, 0.0003375500000000, -0.0008892100000000 ] - [ 0.0018110900000000, -0.0007231500000000, -0.0007545100000000 ] - [ -0.0011983000000000, -0.0003546100000000, -0.0006366100000000 ] - [ -0.0002151000000000, 0.0000981000000000, 0.0000607100000000 ] - [ -0.0000285400000000, 0.0003068800000000, 0.0004861100000000 ] - [ 0.0019221300000000, -0.0002308400000000, 0.0000090000000000 ] - [ 0.0007985300000000, 0.0083268400000000, 0.0009805100000000 ] - [ -0.0001312000000000, 0.0005521500000000, -0.0000530000000000 ] - [ -0.0035035100000000, 0.0075149400000000, 0.0107506400000000 ] - [ 0.0002106800000000, -0.0005483800000000, 0.0001951700000000 ] - [ 0.0007370300000000, -0.0000801300000000, -0.0008427900000000 ] - [ -0.0012444500000000, -0.0008910000000000, 0.0009018600000000 ] - [ -0.0002315200000000, 0.0000139100000000, -0.0002581100000000 ] - [ 0.0002881200000000, 0.0007543000000000, -0.0012493200000000 ] - [ 0.0001028700000000, 0.0000703300000000, -0.0001157000000000 ] - [ -0.0015254300000000, 0.0013029900000000, 0.0009872900000000 ] - [ -0.0005314200000000, 0.0001405000000000, -0.0003750900000000 ] - [ -0.0003230100000000, -0.0006852700000000, -0.0010689700000000 ] - [ 0.0001668100000000, -0.0004409300000000, -0.0002294800000000 ] - [ 0.0035862100000000, 0.0022377500000000, 0.0000418000000000 ] - [ 0.0006214300000000, 0.0023518200000000, 0.0016381600000000 ] - [ 0.0000553200000000, -0.0001476900000000, -0.0001192300000000 ] - [ -0.0001541700000000, -0.0002511000000000, -0.0000965700000000 ] - [ 0.0009906500000000, 0.0000117300000000, -0.0007496000000000 ] - [ -0.0065296200000000, 0.0002701000000000, 0.0002713300000000 ] - [ -0.0007249800000000, 0.0001678300000000, -0.0001274900000000 ] - [ -0.0000539300000000, 0.0002284000000000, -0.0007828000000000 ] - [ 0.0036402700000000, -0.0029736700000000, 0.0020720300000000 ] - [ -0.0006095900000000, -0.0000600400000000, -0.0000778300000000 ] - [ -0.0004827300000000, 0.0022400700000000, 0.0024038300000000 ] - [ 0.0001048100000000, 0.0001296300000000, 0.0000252400000000 ] - [ 0.0413595800000000, 0.0221139100000000, 0.0199067100000000 ] - [ -0.0014423600000000, -0.0001701100000000, 0.0007916500000000 ] - [ -0.0000854100000000, 0.0000352000000000, -0.0003916300000000 ] - [ 0.0001866000000000, 0.0001321700000000, -0.0004736300000000 ] - [ 0.0041835100000000, 0.0020822300000000, -0.0015226300000000 ] - [ -0.0016806800000000, 0.0007942700000000, 0.0005872700000000 ] - [ 0.0001682300000000, -0.0000474600000000, -0.0005241100000000 ] - [ -0.0020757400000000, -0.0004967700000000, -0.0012571200000000 ] - [ 0.0019188500000000, 0.0001461700000000, 0.0001450600000000 ] - [ -0.0004220000000000, -0.0004234400000000, -0.0009358500000000 ] - [ 0.0393805000000000, 0.0031331800000000, 0.0194549600000000 ] - [ 0.0003087000000000, 0.0004727200000000, 0.0009708000000000 ] - [ 0.0010359900000000, -0.0024731400000000, -0.0032003300000000 ] - [ -0.0091799400000000, 0.0007962300000000, -0.0007853100000000 ] - [ 0.0001366500000000, -0.0008701400000000, -0.0001769600000000 ] - [ 0.0000250800000000, -0.0005478200000000, -0.0008245500000000 ]- atom: 29 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ -0.0014842000000000, -0.0010451900000000, -0.0005880800000000 ] - [ -0.0134036300000000, 0.0001591300000000, -0.0031712900000000 ] - [ 0.0007494200000000, 0.0002764500000000, -0.0001992200000000 ] - [ -0.0006849500000000, 0.0003113100000000, -0.0003810500000000 ] - [ 0.0012824900000000, -0.0004313300000000, -0.0011975100000000 ] - [ -0.0107138100000000, 0.0002368600000000, 0.0038392600000000 ] - [ -0.0000280200000000, -0.0002900700000000, 0.0001772300000000 ] - [ 0.0001451000000000, -0.0001409500000000, -0.0008549600000000 ] - [ 0.0003506400000000, -0.0000990000000000, -0.0010200400000000 ] - [ -0.0018438000000000, -0.0002731700000000, 0.0000041100000000 ] - [ 0.0002615100000000, 0.0003119300000000, -0.0001247900000000 ] - [ -0.0002524500000000, 0.0000336100000000, -0.0006042600000000 ] - [ -0.0000174900000000, 0.0000346600000000, -0.0001388900000000 ] - [ 0.0008885700000000, 0.0003737000000000, 0.0025764800000000 ] - [ -0.0018767700000000, -0.0002195900000000, 0.0006868800000000 ] - [ 0.0002326300000000, -0.0000866300000000, -0.0006410700000000 ] - [ 0.0011483800000000, 0.0002125100000000, -0.0005082100000000 ] - [ -0.0016217300000000, 0.0002404700000000, 0.0000358800000000 ] - [ -0.0004207500000000, 0.0003691900000000, -0.0004529900000000 ] - [ -0.0004235200000000, 0.0001073900000000, -0.0003523800000000 ] - [ 0.0001768200000000, 0.0004190100000000, 0.0003476200000000 ] - [ 0.0003618400000000, -0.0003015900000000, -0.0037270700000000 ] - [ -0.0002020200000000, -0.0000886000000000, -0.0005222800000000 ] - [ -0.0001166700000000, -0.0001069500000000, -0.0002916500000000 ] - [ -0.0004552800000000, -0.0003896500000000, -0.0002111100000000 ] - [ -0.0006018500000000, 0.0047394600000000, -0.0128747100000000 ] - [ 0.0006268600000000, 0.0003718900000000, 0.0000102000000000 ] - [ -0.0008062300000000, 0.0003755900000000, -0.0001071700000000 ] - [ 0.0984856100000000, 0.0390566600000000, 0.0533193600000000 ] - [ 0.0001773600000000, -0.0003863400000000, 0.0006588300000000 ] - [ 0.0006243600000000, 0.0005605000000000, -0.0000875300000000 ] - [ -0.0005317100000000, 0.0004821400000000, -0.0004787600000000 ] - [ 0.0014654900000000, -0.0005446800000000, -0.0011550300000000 ] - [ -0.0001462200000000, -0.0000076900000000, 0.0003786900000000 ] - [ 0.0020037900000000, 0.0006869600000000, 0.0162366200000000 ] - [ -0.0000293500000000, 0.0000500400000000, -0.0005041500000000 ] - [ -0.0002371800000000, 0.0005057500000000, 0.0003635100000000 ] - [ 0.0008144200000000, 0.0008717400000000, -0.0004730800000000 ] - [ -0.0015089500000000, -0.0004867900000000, -0.0006104000000000 ] - [ 0.0008942800000000, -0.0008610800000000, 0.0019967900000000 ] - [ -0.0002326900000000, 0.0002101900000000, -0.0003995700000000 ] - [ 0.0004760300000000, -0.0000011700000000, -0.0001523100000000 ] - [ -0.0014750000000000, -0.0000680700000000, 0.0003178300000000 ] - [ -0.0012488900000000, -0.0086743700000000, -0.0013112900000000 ] - [ -0.0000261600000000, 0.0005091100000000, 0.0000830000000000 ] - [ 0.0035985100000000, -0.0064243100000000, -0.0107529000000000 ] - [ -0.0000591600000000, -0.0005201000000000, -0.0002338700000000 ] - [ -0.0013805300000000, 0.0004098200000000, 0.0004972300000000 ] - [ 0.0012509600000000, 0.0008257700000000, -0.0008938600000000 ] - [ 0.0002205200000000, -0.0000856400000000, 0.0002459000000000 ] - [ -0.0002968700000000, -0.0006888300000000, 0.0012398800000000 ] - [ -0.0000933600000000, -0.0000031500000000, 0.0001352600000000 ] - [ 0.0016693700000000, -0.0005307200000000, -0.0011460300000000 ] - [ 0.0003896100000000, 0.0006391600000000, 0.0005201900000000 ] - [ 0.0001876100000000, -0.0000875300000000, 0.0012247000000000 ] - [ -0.0000273900000000, -0.0003370300000000, 0.0000877000000000 ] - [ -0.0037142500000000, -0.0016908300000000, -0.0001295700000000 ] - [ -0.0003836300000000, -0.0019678200000000, -0.0016628400000000 ] - [ 0.0001727200000000, -0.0002402900000000, 0.0001035200000000 ] - [ -0.0000744400000000, -0.0001363000000000, 0.0001179100000000 ] - [ 0.0001553700000000, -0.0002696800000000, 0.0000274900000000 ] - [ 0.0053953700000000, -0.0005155300000000, 0.0004028300000000 ] - [ -0.0004209600000000, 0.0000885800000000, 0.0008542100000000 ] - [ 0.0011887600000000, 0.0000280100000000, 0.0000728800000000 ] - [ -0.0031136800000000, 0.0026735300000000, -0.0015644200000000 ] - [ 0.0000813200000000, -0.0002616800000000, -0.0004330500000000 ] - [ -0.0000560000000000, -0.0019076200000000, -0.0029013800000000 ] - [ 0.0004299900000000, 0.0001942800000000, 0.0004959600000000 ] - [ -0.0427314100000000, -0.0237198600000000, -0.0213851100000000 ] - [ 0.0010160700000000, 0.0000393300000000, -0.0007392400000000 ] - [ -0.0003354600000000, 0.0000865900000000, 0.0004544700000000 ] - [ 0.0002369700000000, -0.0000082000000000, 0.0004210800000000 ] - [ -0.0044524000000000, -0.0018270400000000, 0.0011542700000000 ] - [ 0.0019599400000000, -0.0005532800000000, -0.0001961800000000 ] - [ 0.0001117200000000, -0.0001989400000000, 0.0009167200000000 ] - [ 0.0017976800000000, 0.0002530300000000, 0.0008523900000000 ] - [ -0.0014782100000000, -0.0009591100000000, 0.0008006400000000 ] - [ -0.0000283000000000, -0.0003980100000000, 0.0000075200000000 ] - [ -0.0401188400000000, -0.0023235600000000, -0.0214842100000000 ] - [ 0.0001429900000000, 0.0003480700000000, -0.0000264600000000 ] - [ -0.0008577500000000, 0.0035089600000000, 0.0027837500000000 ] - [ 0.0090035600000000, 0.0002514600000000, 0.0012220400000000 ] - [ -0.0003146600000000, -0.0001889100000000, 0.0005965900000000 ] - [ 0.0001520000000000, -0.0005059000000000, 0.0004225200000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001856900000000, 0.0012146700000000, 0.0004860700000000 ] - [ 0.0016741400000000, -0.0009284500000000, 0.0006524000000000 ] - [ 0.0006961900000000, 0.0002851700000000, 0.0001258300000000 ] - [ -0.0005618000000000, 0.0004353100000000, 0.0002112500000000 ] - [ -0.0005610100000000, 0.0024876000000000, -0.0003658900000000 ] - [ 0.0000491300000000, -0.0012130300000000, 0.0006432700000000 ] - [ -0.0002578000000000, -0.0002458300000000, 0.0007467100000000 ] - [ 0.0001554400000000, -0.0001591000000000, -0.0004170100000000 ] - [ 0.0003372300000000, 0.0000218500000000, -0.0003100800000000 ] - [ -0.0007419200000000, -0.0004689300000000, 0.0001494500000000 ] - [ -0.0005623700000000, -0.0002633200000000, 0.0008335700000000 ] - [ 0.0008586900000000, 0.0008021400000000, -0.0004912800000000 ] - [ 0.0010692400000000, 0.0020556100000000, -0.0006740600000000 ] - [ -0.0005736400000000, -0.0011604300000000, 0.0001770700000000 ] - [ -0.0003096500000000, -0.0001676400000000, 0.0002068000000000 ] - [ 0.0003581300000000, -0.0000860000000000, -0.0003246800000000 ] - [ 0.0003005100000000, -0.0011020600000000, -0.0005419000000000 ] - [ -0.0002802600000000, 0.0006855000000000, -0.0003160000000000 ] - [ -0.0004610000000000, 0.0003020700000000, -0.0001353600000000 ] - [ 0.0000809600000000, 0.0004277800000000, -0.0000909000000000 ] - [ -0.0003888700000000, -0.0009315400000000, 0.0002172300000000 ] - [ 0.0007101000000000, -0.0006229000000000, 0.0031506500000000 ] - [ -0.0003527800000000, -0.0001643200000000, -0.0000291300000000 ] - [ 0.0005871400000000, -0.0004618700000000, 0.0002408800000000 ] - [ -0.0007486800000000, -0.0003131100000000, -0.0002882300000000 ] - [ -0.0046126700000000, -0.0037938100000000, -0.0092960000000000 ] - [ 0.0007781900000000, 0.0003927400000000, 0.0003243100000000 ] - [ -0.0010751800000000, 0.0005999800000000, -0.0002841500000000 ] - [ -0.0389022500000000, -0.0560281000000000, -0.0093094900000000 ] - [ 0.0004531900000000, -0.0000734300000000, 0.0000531700000000 ] - [ 0.0002835000000000, 0.0004734600000000, 0.0004474900000000 ] - [ -0.0003606900000000, 0.0004107300000000, -0.0000364200000000 ] - [ -0.0006525800000000, 0.0010267600000000, 0.0002463100000000 ] - [ -0.0001105800000000, -0.0000423700000000, 0.0005793400000000 ] - [ 0.0001197900000000, -0.0064929600000000, -0.0027093200000000 ] - [ 0.0001499100000000, 0.0000460900000000, -0.0004289300000000 ] - [ -0.0001061800000000, 0.0006701900000000, 0.0008272600000000 ] - [ -0.0000241700000000, 0.0001967700000000, -0.0003650200000000 ] - [ 0.0003837100000000, -0.0007058400000000, -0.0006598100000000 ] - [ -0.0026330500000000, 0.0063555700000000, -0.0010886600000000 ] - [ -0.0001980800000000, 0.0001188800000000, -0.0000818600000000 ] - [ 0.0002827700000000, 0.0001162200000000, 0.0001370000000000 ] - [ 0.0004815800000000, -0.0005272800000000, 0.0003194300000000 ] - [ 0.0042271500000000, 0.0135461400000000, 0.0012630400000000 ] - [ -0.0001515000000000, 0.0006276500000000, 0.0000757700000000 ] - [ 0.0040947200000000, 0.0027763000000000, 0.0165597100000000 ] - [ 0.0001346800000000, -0.0005243000000000, 0.0001142800000000 ] - [ 0.0000055500000000, 0.0005555000000000, -0.0003951000000000 ] - [ -0.0005519900000000, -0.0000994600000000, 0.0007912200000000 ] - [ 0.0000405600000000, -0.0000626000000000, -0.0000548400000000 ] - [ -0.0001848500000000, -0.0007027000000000, 0.0005588800000000 ] - [ 0.0000215000000000, 0.0000754900000000, -0.0000481100000000 ] - [ 0.0009498400000000, 0.0006054600000000, -0.0004397100000000 ] - [ -0.0002932800000000, 0.0001879200000000, -0.0001961800000000 ] - [ -0.0005513200000000, -0.0007139500000000, -0.0013364000000000 ] - [ 0.0000935100000000, -0.0004153300000000, -0.0001650100000000 ] - [ 0.0014642600000000, 0.0037966600000000, -0.0000924300000000 ] - [ 0.0022138300000000, -0.0024738500000000, -0.0016420100000000 ] - [ 0.0001415200000000, -0.0001527300000000, -0.0000930600000000 ] - [ -0.0000743800000000, -0.0002437800000000, -0.0000205700000000 ] - [ 0.0006684700000000, -0.0004625700000000, -0.0001157500000000 ] - [ 0.0018080600000000, 0.0008219300000000, -0.0003466600000000 ] - [ -0.0006354900000000, 0.0002106200000000, 0.0001604200000000 ] - [ 0.0005836700000000, -0.0002378600000000, -0.0005449800000000 ] - [ 0.0014057900000000, -0.0064235200000000, -0.0000555200000000 ] - [ -0.0003246400000000, -0.0000829200000000, -0.0004661400000000 ] - [ 0.0002545400000000, 0.0008878200000000, 0.0001190900000000 ] - [ 0.0002323300000000, 0.0001193100000000, 0.0001266600000000 ] - [ 0.0257137800000000, 0.0162212300000000, 0.0118835300000000 ] - [ -0.0006447500000000, -0.0003282300000000, 0.0005245600000000 ] - [ -0.0002530900000000, -0.0000698600000000, -0.0001891000000000 ] - [ 0.0001476900000000, 0.0001365900000000, -0.0001360700000000 ] - [ 0.0012913100000000, 0.0030167600000000, -0.0005930200000000 ] - [ -0.0011145900000000, -0.0017506200000000, 0.0004390600000000 ] - [ 0.0001733200000000, -0.0001284000000000, -0.0000539600000000 ] - [ -0.0001296900000000, 0.0004584500000000, 0.0003163600000000 ] - [ 0.0014149200000000, -0.0006331000000000, -0.0001450300000000 ] - [ -0.0002449600000000, -0.0003633900000000, -0.0006801800000000 ] - [ 0.0020628100000000, 0.0376935300000000, -0.0064149100000000 ] - [ 0.0001503000000000, 0.0001181800000000, 0.0005066800000000 ] - [ 0.0015969400000000, -0.0091403800000000, -0.0010299600000000 ] - [ -0.0007649800000000, 0.0007783900000000, -0.0001527400000000 ] - [ -0.0000992100000000, -0.0002318700000000, -0.0000860700000000 ] - [ -0.0000209700000000, -0.0005652800000000, -0.0004770800000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011237300000000, -0.0018721500000000, -0.0004877400000000 ] - [ -0.0003697600000000, 0.0002742100000000, -0.0006612500000000 ] - [ 0.0005866700000000, 0.0003632000000000, -0.0001571700000000 ] - [ -0.0007354300000000, 0.0002148000000000, -0.0001941100000000 ] - [ 0.0008945200000000, -0.0020721800000000, -0.0006896600000000 ] - [ -0.0003851600000000, 0.0016267100000000, 0.0004175700000000 ] - [ -0.0000819900000000, -0.0001712300000000, 0.0002940900000000 ] - [ 0.0001752800000000, -0.0002579700000000, -0.0006269400000000 ] - [ 0.0004041500000000, -0.0001560600000000, -0.0006324900000000 ] - [ 0.0000022400000000, 0.0003307800000000, 0.0007933100000000 ] - [ -0.0001778700000000, 0.0003948400000000, 0.0000940700000000 ] - [ -0.0001177300000000, -0.0006692300000000, -0.0004396100000000 ] - [ -0.0003819300000000, -0.0018708300000000, -0.0001619300000000 ] - [ -0.0001189200000000, 0.0013568100000000, 0.0006750700000000 ] - [ -0.0003791500000000, -0.0000270500000000, 0.0006374900000000 ] - [ 0.0003300100000000, -0.0001036600000000, -0.0005256000000000 ] - [ 0.0005932600000000, 0.0004507200000000, 0.0009572700000000 ] - [ -0.0006154100000000, -0.0013168500000000, -0.0000997500000000 ] - [ -0.0004329700000000, 0.0003413600000000, -0.0002896000000000 ] - [ 0.0008157500000000, 0.0002301900000000, 0.0005092500000000 ] - [ 0.0002112100000000, -0.0001349900000000, -0.0001993800000000 ] - [ -0.0000955200000000, 0.0008915900000000, -0.0028407600000000 ] - [ -0.0002672800000000, -0.0001095700000000, -0.0003214800000000 ] - [ 0.0000373700000000, 0.0001856300000000, 0.0000933500000000 ] - [ -0.0007972300000000, -0.0005543200000000, -0.0002104800000000 ] - [ 0.0061956300000000, 0.0029786300000000, 0.0098318500000000 ] - [ 0.0007689300000000, 0.0004711500000000, 0.0001685100000000 ] - [ -0.0004695000000000, 0.0002679200000000, -0.0002109200000000 ] - [ 0.0386407200000000, 0.0548638300000000, 0.0106184000000000 ] - [ 0.0003381300000000, -0.0008155400000000, 0.0002404800000000 ] - [ 0.0005079400000000, 0.0004136500000000, -0.0001553200000000 ] - [ -0.0004260300000000, 0.0004762400000000, -0.0002642600000000 ] - [ 0.0008704700000000, -0.0010714500000000, -0.0012433000000000 ] - [ -0.0001157400000000, 0.0000154200000000, 0.0003985900000000 ] - [ -0.0003360000000000, 0.0065348800000000, 0.0036123500000000 ] - [ 0.0000798800000000, -0.0000098800000000, -0.0005701400000000 ] - [ -0.0002036200000000, 0.0005602100000000, 0.0005399800000000 ] - [ 0.0003448700000000, 0.0010418400000000, -0.0010158300000000 ] - [ -0.0000564200000000, -0.0005208700000000, -0.0006922100000000 ] - [ 0.0023133500000000, -0.0075661900000000, 0.0024792600000000 ] - [ -0.0002327500000000, 0.0002027000000000, -0.0002440700000000 ] - [ 0.0001486700000000, 0.0002000500000000, 0.0001808200000000 ] - [ -0.0000490400000000, 0.0002018500000000, 0.0000077600000000 ] - [ -0.0047313100000000, -0.0139669400000000, -0.0015798700000000 ] - [ -0.0000249600000000, 0.0004223800000000, -0.0000587700000000 ] - [ -0.0038572300000000, -0.0016723400000000, -0.0163975200000000 ] - [ 0.0000417300000000, -0.0005385800000000, -0.0001374900000000 ] - [ -0.0006268800000000, -0.0002777800000000, 0.0000547200000000 ] - [ 0.0005601500000000, 0.0000266100000000, -0.0007812000000000 ] - [ -0.0000472900000000, 0.0000009500000000, 0.0000357000000000 ] - [ 0.0001777800000000, 0.0007586200000000, -0.0005739300000000 ] - [ -0.0000146600000000, -0.0000115300000000, 0.0000725100000000 ] - [ -0.0008117800000000, 0.0001801000000000, 0.0002870000000000 ] - [ 0.0001590700000000, 0.0005872100000000, 0.0003425800000000 ] - [ 0.0004174200000000, -0.0000599200000000, 0.0014864300000000 ] - [ 0.0000431100000000, -0.0003629000000000, 0.0000242000000000 ] - [ -0.0015177700000000, -0.0032676500000000, -0.0000132400000000 ] - [ -0.0019943900000000, 0.0028540300000000, 0.0016271600000000 ] - [ 0.0000870900000000, -0.0002361300000000, 0.0000780900000000 ] - [ -0.0001533100000000, -0.0001463100000000, 0.0000438800000000 ] - [ 0.0004800100000000, 0.0002101900000000, -0.0005973900000000 ] - [ -0.0029316100000000, -0.0010826000000000, 0.0010482700000000 ] - [ -0.0005097200000000, 0.0000440600000000, 0.0005707300000000 ] - [ 0.0005542800000000, 0.0004909500000000, -0.0001699900000000 ] - [ -0.0008792900000000, 0.0060934300000000, 0.0005432500000000 ] - [ -0.0002200100000000, -0.0002412500000000, -0.0000486200000000 ] - [ -0.0007985700000000, -0.0005395900000000, -0.0006008600000000 ] - [ 0.0003055100000000, 0.0002030300000000, 0.0003943700000000 ] - [ -0.0259416200000000, -0.0162812800000000, -0.0123232200000000 ] - [ 0.0002248200000000, 0.0002064500000000, -0.0004665700000000 ] - [ -0.0001715700000000, 0.0001929900000000, 0.0002561600000000 ] - [ 0.0002783600000000, -0.0000105400000000, 0.0000804500000000 ] - [ -0.0015682400000000, -0.0027735700000000, 0.0002296000000000 ] - [ 0.0013756800000000, 0.0019839400000000, -0.0000531600000000 ] - [ 0.0001018600000000, -0.0001126800000000, 0.0004546400000000 ] - [ -0.0001518100000000, -0.0006989900000000, -0.0007197800000000 ] - [ -0.0009627000000000, -0.0001774000000000, 0.0010848700000000 ] - [ -0.0002016200000000, -0.0004591200000000, -0.0002514500000000 ] - [ -0.0025628500000000, -0.0367931200000000, 0.0042330100000000 ] - [ 0.0002893200000000, 0.0007058500000000, 0.0004343000000000 ] - [ -0.0014152800000000, 0.0102009900000000, 0.0006450600000000 ] - [ 0.0005780600000000, 0.0002836800000000, 0.0005368300000000 ] - [ -0.0000697400000000, -0.0008342700000000, 0.0005122800000000 ] - [ 0.0002000700000000, -0.0004901300000000, 0.0000815000000000 ]- atom: 29 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ -0.0004972100000000, -0.0001419400000000, -0.0010044800000000 ] - [ -0.0009224300000000, 0.0001524200000000, -0.0024557100000000 ] - [ 0.0011518800000000, 0.0001979200000000, 0.0016264700000000 ] - [ -0.0002824100000000, 0.0003604000000000, 0.0009925100000000 ] - [ 0.0012316400000000, -0.0001722200000000, -0.0017539100000000 ] - [ -0.0046523800000000, 0.0008646900000000, -0.0015325800000000 ] - [ -0.0008206600000000, -0.0000619300000000, 0.0028056900000000 ] - [ -0.0002435700000000, -0.0003431900000000, 0.0006245400000000 ] - [ 0.0006044100000000, -0.0002033900000000, 0.0012684600000000 ] - [ -0.0008463800000000, -0.0000591900000000, -0.0003015100000000 ] - [ -0.0000138000000000, -0.0001804000000000, 0.0041366400000000 ] - [ 0.0008166700000000, 0.0003256000000000, -0.0017185800000000 ] - [ 0.0006963100000000, 0.0005627000000000, -0.0023566200000000 ] - [ -0.0027782100000000, 0.0004389500000000, 0.0069114500000000 ] - [ -0.0028831300000000, -0.0003397300000000, 0.0019768300000000 ] - [ 0.0005514700000000, -0.0000909900000000, 0.0005522800000000 ] - [ 0.0011487200000000, -0.0021200700000000, 0.0024985000000000 ] - [ 0.0000540100000000, -0.0007640300000000, -0.0016289400000000 ] - [ -0.0004151700000000, 0.0000169900000000, 0.0008956700000000 ] - [ 0.0004154700000000, -0.0001841300000000, 0.0006245800000000 ] - [ -0.0005250000000000, 0.0017948400000000, 0.0008173000000000 ] - [ 0.0018077200000000, 0.0016169400000000, 0.0079183800000000 ] - [ -0.0006871900000000, -0.0005237300000000, 0.0014002200000000 ] - [ -0.0000490500000000, 0.0001829700000000, 0.0012109500000000 ] - [ -0.0012457400000000, -0.0008743700000000, 0.0001781900000000 ] - [ 0.0100048600000000, -0.0048922400000000, 0.0009148000000000 ] - [ 0.0010270900000000, 0.0005680900000000, 0.0013346900000000 ] - [ -0.0013191000000000, 0.0004772700000000, -0.0000384400000000 ] - [ 0.0009276800000000, 0.0098389800000000, -0.2387628200000000 ] - [ -0.0001414600000000, -0.0003356600000000, -0.0002354000000000 ] - [ 0.0007186600000000, 0.0007639200000000, 0.0016108400000000 ] - [ -0.0001808300000000, 0.0003620300000000, 0.0018974500000000 ] - [ -0.0001975100000000, 0.0004863200000000, -0.0002548400000000 ] - [ -0.0010176100000000, -0.0000475500000000, 0.0022164100000000 ] - [ -0.0078590800000000, -0.0002133300000000, 0.0221537900000000 ] - [ -0.0004916100000000, 0.0000460700000000, 0.0001891400000000 ] - [ 0.0000854800000000, 0.0010375400000000, 0.0020816900000000 ] - [ 0.0009154400000000, 0.0001014200000000, 0.0026781600000000 ] - [ -0.0002282400000000, -0.0007012800000000, -0.0007743800000000 ] - [ -0.0007231300000000, 0.0010801600000000, -0.0028419400000000 ] - [ -0.0002083000000000, 0.0001348300000000, 0.0008264100000000 ] - [ 0.0002767300000000, -0.0002150500000000, 0.0016567600000000 ] - [ -0.0002010700000000, -0.0006482900000000, -0.0001610400000000 ] - [ 0.0011479600000000, 0.0009026000000000, -0.0033934900000000 ] - [ -0.0006207300000000, 0.0012765200000000, 0.0005567700000000 ] - [ 0.0060800800000000, 0.0083915600000000, 0.0039452800000000 ] - [ 0.0002321400000000, -0.0005155700000000, 0.0009810900000000 ] - [ 0.0001572800000000, -0.0004488800000000, -0.0020532400000000 ] - [ 0.0012486400000000, 0.0014250200000000, 0.0020137400000000 ] - [ -0.0004172500000000, 0.0002971500000000, -0.0004410600000000 ] - [ -0.0003071600000000, 0.0010173200000000, -0.0009776500000000 ] - [ 0.0002552000000000, 0.0002189900000000, -0.0011408300000000 ] - [ 0.0014545900000000, -0.0006596700000000, 0.0017076600000000 ] - [ -0.0007223000000000, -0.0002899700000000, -0.0003560400000000 ] - [ -0.0006659800000000, -0.0011635900000000, -0.0012968600000000 ] - [ 0.0002479500000000, -0.0005711000000000, -0.0012007000000000 ] - [ -0.0017857000000000, -0.0008329500000000, 0.0033571100000000 ] - [ 0.0018803800000000, -0.0035803700000000, 0.0010063900000000 ] - [ 0.0002070000000000, -0.0003343400000000, -0.0010480100000000 ] - [ -0.0000237700000000, -0.0000304600000000, -0.0010249100000000 ] - [ 0.0005838700000000, 0.0015691000000000, -0.0013057700000000 ] - [ -0.0028518800000000, -0.0009605700000000, 0.0062195100000000 ] - [ -0.0012928100000000, 0.0003805800000000, -0.0023565400000000 ] - [ 0.0010299700000000, 0.0007392800000000, -0.0008562700000000 ] - [ 0.0016800400000000, -0.0038051600000000, 0.0037086900000000 ] - [ 0.0019564000000000, -0.0011216200000000, -0.0020828400000000 ] - [ 0.0013434100000000, -0.0037774500000000, -0.0073246900000000 ] - [ 0.0000210100000000, 0.0001106000000000, -0.0011454700000000 ] - [ -0.0061696000000000, -0.0053476300000000, 0.0021553300000000 ] - [ -0.0001037900000000, 0.0003341200000000, 0.0018466200000000 ] - [ -0.0004709500000000, 0.0002027300000000, -0.0017267200000000 ] - [ -0.0001788000000000, 0.0001718700000000, -0.0017712000000000 ] - [ -0.0005608600000000, 0.0023316400000000, -0.0083209700000000 ] - [ -0.0009152000000000, 0.0008141000000000, 0.0031281300000000 ] - [ 0.0002993200000000, 0.0003666900000000, -0.0024724200000000 ] - [ 0.0017320400000000, -0.0004311500000000, -0.0003619300000000 ] - [ -0.0000268400000000, -0.0016718900000000, -0.0012415900000000 ] - [ 0.0001199500000000, -0.0006517600000000, -0.0032620500000000 ] - [ 0.0008599600000000, -0.0027337200000000, 0.2008984400000000 ] - [ 0.0014205200000000, 0.0001606900000000, 0.0002773200000000 ] - [ -0.0015493200000000, -0.0010107700000000, 0.0034743300000000 ] - [ 0.0013703000000000, 0.0010957200000000, 0.0003719500000000 ] - [ 0.0001725700000000, 0.0006826300000000, -0.0041265400000000 ] - [ 0.0001584200000000, -0.0008486300000000, -0.0025381800000000 ]- atom: 29 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ -0.0008174900000000, -0.0005041400000000, 0.0010241900000000 ] - [ 0.0023228300000000, -0.0008154300000000, 0.0024658400000000 ] - [ 0.0001735400000000, 0.0004532300000000, -0.0016222200000000 ] - [ -0.0010387200000000, 0.0002928200000000, -0.0009893400000000 ] - [ -0.0009225500000000, 0.0005882600000000, 0.0007206200000000 ] - [ 0.0043526000000000, -0.0004496300000000, 0.0025824600000000 ] - [ 0.0004999400000000, -0.0003475600000000, -0.0017494400000000 ] - [ 0.0005613000000000, -0.0000682300000000, -0.0016683400000000 ] - [ 0.0001601500000000, 0.0000501000000000, -0.0022377700000000 ] - [ 0.0000777800000000, -0.0000905300000000, 0.0012628500000000 ] - [ -0.0007455000000000, 0.0003311800000000, -0.0031517000000000 ] - [ -0.0000531100000000, -0.0001710100000000, 0.0007291300000000 ] - [ 0.0000202100000000, -0.0003757700000000, 0.0015169600000000 ] - [ 0.0020743800000000, -0.0002538400000000, -0.0061388000000000 ] - [ 0.0021339200000000, 0.0001582800000000, -0.0011388200000000 ] - [ 0.0001712900000000, -0.0000876900000000, -0.0013704300000000 ] - [ -0.0002677300000000, 0.0014821500000000, -0.0020753400000000 ] - [ -0.0009297700000000, 0.0001179000000000, 0.0011890400000000 ] - [ -0.0004647600000000, 0.0006227100000000, -0.0013214600000000 ] - [ 0.0004562700000000, 0.0008186500000000, -0.0001936000000000 ] - [ 0.0003670100000000, -0.0028167900000000, -0.0007784400000000 ] - [ -0.0011822500000000, -0.0013099000000000, -0.0075844600000000 ] - [ 0.0000391800000000, 0.0001839100000000, -0.0017508300000000 ] - [ 0.0006901800000000, -0.0005160900000000, -0.0008526000000000 ] - [ -0.0002981400000000, 0.0000599300000000, -0.0006428200000000 ] - [ -0.0083303900000000, 0.0039832000000000, -0.0004515300000000 ] - [ 0.0005090400000000, 0.0002382900000000, -0.0008639600000000 ] - [ -0.0002233500000000, 0.0003371800000000, -0.0004343200000000 ] - [ -0.0044254300000000, -0.0110920400000000, 0.2287394700000000 ] - [ 0.0009531800000000, -0.0005628700000000, 0.0005377800000000 ] - [ 0.0000932000000000, 0.0001336600000000, -0.0013177700000000 ] - [ -0.0006273300000000, 0.0005347300000000, -0.0021754600000000 ] - [ 0.0003709700000000, -0.0005368600000000, -0.0007306900000000 ] - [ 0.0008467900000000, -0.0000068600000000, -0.0012320200000000 ] - [ 0.0073898700000000, 0.0002143600000000, -0.0205336200000000 ] - [ 0.0006645400000000, 0.0000074500000000, -0.0011663700000000 ] - [ -0.0003907400000000, 0.0001624100000000, -0.0007390000000000 ] - [ -0.0006008400000000, 0.0010996900000000, -0.0039998600000000 ] - [ 0.0005463400000000, -0.0005004200000000, -0.0005571400000000 ] - [ 0.0004153000000000, -0.0022756600000000, 0.0041622500000000 ] - [ -0.0002372500000000, 0.0001747600000000, -0.0011588400000000 ] - [ 0.0001700800000000, 0.0005152200000000, -0.0013192600000000 ] - [ 0.0006486000000000, 0.0003428400000000, 0.0004976700000000 ] - [ -0.0015620900000000, -0.0011120300000000, 0.0030642500000000 ] - [ 0.0004601100000000, -0.0002306200000000, -0.0005221100000000 ] - [ -0.0057911600000000, -0.0071601500000000, -0.0038733700000000 ] - [ -0.0000800700000000, -0.0005264300000000, -0.0010130800000000 ] - [ -0.0007948900000000, 0.0007774300000000, 0.0016800300000000 ] - [ -0.0012253400000000, -0.0014715400000000, -0.0019609100000000 ] - [ 0.0004048800000000, -0.0003624800000000, 0.0004088000000000 ] - [ 0.0002889400000000, -0.0009478900000000, 0.0009545300000000 ] - [ -0.0002413000000000, -0.0001570600000000, 0.0011637100000000 ] - [ -0.0013103600000000, 0.0014309000000000, -0.0018254400000000 ] - [ 0.0005832800000000, 0.0010711000000000, 0.0004885200000000 ] - [ 0.0005252900000000, 0.0003812900000000, 0.0014325000000000 ] - [ -0.0001089600000000, -0.0002077900000000, 0.0010596100000000 ] - [ 0.0017487300000000, 0.0014583000000000, -0.0034484700000000 ] - [ -0.0016324100000000, 0.0039478200000000, -0.0010427700000000 ] - [ 0.0000243500000000, -0.0000540700000000, 0.0010237400000000 ] - [ -0.0002058300000000, -0.0003543200000000, 0.0010388300000000 ] - [ 0.0005647700000000, -0.0018241400000000, 0.0005678100000000 ] - [ 0.0017116200000000, 0.0007033300000000, -0.0054689200000000 ] - [ 0.0001427100000000, -0.0001277300000000, 0.0030715700000000 ] - [ 0.0001150000000000, -0.0004802500000000, 0.0001419100000000 ] - [ -0.0011211400000000, 0.0034590900000000, -0.0031512600000000 ] - [ -0.0024945500000000, 0.0007917900000000, 0.0015553800000000 ] - [ -0.0018735200000000, 0.0040510900000000, 0.0067288000000000 ] - [ 0.0005151300000000, 0.0002146900000000, 0.0016562900000000 ] - [ 0.0069137200000000, 0.0054076100000000, -0.0021401700000000 ] - [ -0.0003381000000000, -0.0004598900000000, -0.0017831800000000 ] - [ 0.0000370300000000, -0.0000747000000000, 0.0017775600000000 ] - [ 0.0006075200000000, -0.0000436300000000, 0.0017067600000000 ] - [ 0.0003012500000000, -0.0020968200000000, 0.0079283400000000 ] - [ 0.0011570900000000, -0.0005879900000000, -0.0027023800000000 ] - [ -0.0000449200000000, -0.0005889900000000, 0.0028517400000000 ] - [ -0.0019543700000000, 0.0002087700000000, -0.0000357000000000 ] - [ 0.0004583300000000, 0.0008510800000000, 0.0021672000000000 ] - [ -0.0005596500000000, -0.0001594000000000, 0.0023201200000000 ] - [ 0.0007663000000000, 0.0034409800000000, -0.1926533700000000 ] - [ -0.0009770100000000, 0.0006528000000000, 0.0006359100000000 ] - [ 0.0017590600000000, 0.0020247000000000, -0.0039117300000000 ] - [ -0.0015940500000000, -0.0000419600000000, -0.0000123100000000 ] - [ -0.0003750500000000, -0.0017222100000000, 0.0045024500000000 ] - [ 0.0000465600000000, -0.0002022700000000, 0.0021367900000000 ]- atom: 33 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ -0.0007177800000000, -0.0003324400000000, -0.0003363600000000 ] - [ 0.0006572600000000, -0.0002958600000000, 0.0001305400000000 ] - [ 0.0005904300000000, 0.0004231300000000, -0.0002411700000000 ] - [ 0.0014930600000000, 0.0003295300000000, 0.0034491500000000 ] - [ -0.0000813600000000, 0.0001091400000000, -0.0010680500000000 ] - [ 0.0003374500000000, 0.0002406100000000, 0.0002089300000000 ] - [ -0.0006219100000000, 0.0000333400000000, 0.0005191800000000 ] - [ 0.0029511900000000, 0.0001646100000000, -0.0021877100000000 ] - [ 0.0002245900000000, -0.0000552200000000, -0.0014494400000000 ] - [ 0.0010770600000000, 0.0003188400000000, 0.0021188200000000 ] - [ -0.0004577300000000, 0.0001122300000000, -0.0002082200000000 ] - [ 0.0084241800000000, 0.0007783400000000, 0.0004106100000000 ] - [ 0.0084215300000000, 0.0011316700000000, -0.0054071000000000 ] - [ -0.0004037600000000, 0.0000705000000000, -0.0000072600000000 ] - [ 0.0014006100000000, 0.0006904300000000, 0.0001725900000000 ] - [ 0.0005810900000000, -0.0002264100000000, -0.0016138500000000 ] - [ 0.0004107500000000, -0.0002798100000000, -0.0001608500000000 ] - [ 0.0018671700000000, 0.0011885000000000, 0.0004886800000000 ] - [ -0.0006275600000000, 0.0005349800000000, -0.0007632300000000 ] - [ 0.0034435100000000, -0.0006313200000000, 0.0004711600000000 ] - [ 0.0080155100000000, 0.0135209600000000, -0.0014838000000000 ] - [ 0.0003742100000000, 0.0002572800000000, -0.0003905900000000 ] - [ -0.0006627700000000, -0.0002496200000000, -0.0010616300000000 ] - [ 0.0016585000000000, -0.0007709300000000, 0.0002557100000000 ] - [ -0.0008802100000000, -0.0004910900000000, -0.0006551500000000 ] - [ 0.0011136100000000, -0.0003229400000000, -0.0002374100000000 ] - [ 0.0007987400000000, 0.0004457200000000, -0.0000824500000000 ] - [ 0.0199753200000000, -0.0038616500000000, -0.0045768000000000 ] - [ -0.0017665600000000, -0.0011885600000000, -0.0012692300000000 ] - [ 0.0004456400000000, -0.0004376700000000, -0.0008796800000000 ] - [ -0.0016741700000000, 0.0006476100000000, -0.0096743600000000 ] - [ -0.0002777200000000, 0.0004030100000000, -0.0007474400000000 ] - [ -0.2322324900000000, -0.0410645100000000, 0.0968608500000000 ] - [ 0.0001705200000000, -0.0000107000000000, -0.0000087600000000 ] - [ -0.0033588900000000, 0.0002715300000000, 0.0026180000000000 ] - [ 0.0004481300000000, 0.0000345600000000, -0.0011592000000000 ] - [ 0.0007307100000000, 0.0006273400000000, 0.0006757800000000 ] - [ -0.0014194400000000, 0.0006322700000000, -0.0005558800000000 ] - [ 0.0001793800000000, -0.0007171300000000, -0.0011013000000000 ] - [ -0.0006906000000000, -0.0009670500000000, 0.0013822700000000 ] - [ 0.0006564800000000, -0.0000183100000000, -0.0003065500000000 ] - [ -0.0009725600000000, 0.0001825000000000, 0.0011960600000000 ] - [ 0.0003483100000000, -0.0002708100000000, -0.0001535400000000 ] - [ -0.0008574900000000, -0.0001469500000000, -0.0002285000000000 ] - [ -0.0001170500000000, 0.0006440000000000, -0.0004004700000000 ] - [ -0.0008547400000000, -0.0079267100000000, -0.0028968300000000 ] - [ 0.0001812500000000, -0.0005056700000000, -0.0003582500000000 ] - [ 0.0017794900000000, -0.0007075900000000, -0.0004667500000000 ] - [ 0.0000308000000000, 0.0011201600000000, -0.0021656200000000 ] - [ -0.0000718700000000, -0.0000411800000000, 0.0003518600000000 ] - [ 0.0044351600000000, 0.0039787300000000, 0.0003634200000000 ] - [ 0.0000537300000000, 0.0000392200000000, 0.0002544800000000 ] - [ -0.0002836300000000, -0.0000938700000000, -0.0023757200000000 ] - [ -0.0001017100000000, 0.0004113900000000, 0.0004160400000000 ] - [ -0.0020721800000000, 0.0030144700000000, -0.0021947000000000 ] - [ 0.0001580000000000, -0.0003465600000000, 0.0001643400000000 ] - [ -0.0001800500000000, 0.0004664600000000, 0.0007476900000000 ] - [ 0.0001599700000000, -0.0001956800000000, 0.0008360500000000 ] - [ -0.0007186700000000, -0.0010605000000000, 0.0014101300000000 ] - [ -0.0002711400000000, 0.0006121400000000, 0.0011354000000000 ] - [ 0.0007921700000000, -0.0001609300000000, 0.0004458600000000 ] - [ -0.0026907300000000, -0.0008620900000000, -0.0003476500000000 ] - [ -0.0004765800000000, -0.0001200000000000, 0.0009506300000000 ] - [ -0.0093032800000000, -0.0016981900000000, 0.0003288900000000 ] - [ 0.0033834600000000, 0.0007039500000000, -0.0023111700000000 ] - [ -0.0002861100000000, -0.0002407300000000, 0.0003225200000000 ] - [ 0.0039124300000000, -0.0051066200000000, -0.0004528500000000 ] - [ -0.0002563500000000, 0.0002802900000000, 0.0009478700000000 ] - [ 0.0007853400000000, 0.0000780300000000, 0.0003958900000000 ] - [ -0.0005036900000000, -0.0000433000000000, 0.0007053300000000 ] - [ 0.0045379600000000, 0.0015110300000000, -0.0004165400000000 ] - [ -0.0000305300000000, 0.0001850000000000, 0.0002606300000000 ] - [ -0.0001663500000000, -0.0000121400000000, 0.0008319800000000 ] - [ -0.0081100100000000, -0.0002589700000000, -0.0007285300000000 ] - [ 0.0005236200000000, -0.0002914600000000, 0.0021159200000000 ] - [ -0.0036081000000000, 0.0007013700000000, -0.0015182500000000 ] - [ 0.1884842500000000, 0.0316519900000000, -0.0725126300000000 ] - [ -0.0004616700000000, -0.0003958400000000, 0.0003946800000000 ] - [ 0.0062142300000000, 0.0034733700000000, -0.0000515600000000 ] - [ 0.0001673100000000, 0.0004527300000000, 0.0017178000000000 ] - [ 0.0007218500000000, 0.0007210100000000, 0.0003521400000000 ] - [ -0.0006370900000000, 0.0007297500000000, 0.0007021100000000 ] - [ 0.0001330100000000, -0.0012063200000000, 0.0001109500000000 ] - [ -0.0043444200000000, -0.0003104000000000, -0.0000079200000000 ]- atom: 33 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ -0.0005648100000000, -0.0003181500000000, 0.0003465400000000 ] - [ 0.0006391800000000, -0.0003413400000000, -0.0001175600000000 ] - [ 0.0007068900000000, 0.0002167800000000, 0.0002467800000000 ] - [ -0.0028079000000000, 0.0003153400000000, -0.0034547200000000 ] - [ 0.0004122700000000, 0.0003148900000000, 0.0000480300000000 ] - [ -0.0006838700000000, 0.0001883500000000, 0.0008293400000000 ] - [ 0.0002794700000000, -0.0004679600000000, 0.0005074100000000 ] - [ -0.0026209600000000, -0.0006002200000000, 0.0011744700000000 ] - [ 0.0005149400000000, -0.0000706400000000, 0.0005092400000000 ] - [ -0.0018250400000000, -0.0004456600000000, -0.0011948700000000 ] - [ -0.0002725300000000, 0.0000103500000000, 0.0011599400000000 ] - [ -0.0076701600000000, -0.0006630000000000, -0.0013774900000000 ] - [ -0.0077187900000000, -0.0009282600000000, 0.0045076200000000 ] - [ -0.0003092000000000, 0.0001270700000000, 0.0008613800000000 ] - [ -0.0021027700000000, -0.0008843800000000, 0.0006839600000000 ] - [ 0.0001250300000000, 0.0000309500000000, 0.0007661700000000 ] - [ 0.0004726100000000, -0.0003651600000000, 0.0005871600000000 ] - [ -0.0027668300000000, -0.0018309700000000, -0.0009206100000000 ] - [ -0.0002455500000000, 0.0001152700000000, 0.0003483600000000 ] - [ -0.0025840900000000, 0.0012988900000000, -0.0000456600000000 ] - [ -0.0083757100000000, -0.0149314200000000, 0.0015286800000000 ] - [ 0.0002537500000000, 0.0000189500000000, 0.0007226800000000 ] - [ 0.0000406800000000, -0.0000262900000000, 0.0007295300000000 ] - [ -0.0010416600000000, 0.0004973900000000, 0.0000867200000000 ] - [ -0.0006613800000000, -0.0003640600000000, 0.0001685500000000 ] - [ 0.0004205400000000, -0.0005149200000000, 0.0007204700000000 ] - [ 0.0007361600000000, 0.0004157000000000, 0.0005831600000000 ] - [ -0.0220673700000000, 0.0049012700000000, 0.0041854300000000 ] - [ 0.0010055400000000, 0.0003181500000000, 0.0009711500000000 ] - [ 0.0003277600000000, -0.0004467800000000, 0.0011716300000000 ] - [ 0.0024832800000000, 0.0002051100000000, 0.0102059300000000 ] - [ -0.0004971900000000, 0.0004786300000000, 0.0004576600000000 ] - [ 0.2425707100000000, 0.0429946700000000, -0.1040407900000000 ] - [ -0.0004025000000000, -0.0000133800000000, 0.0009942900000000 ] - [ 0.0031681400000000, -0.0002395900000000, -0.0016408100000000 ] - [ -0.0002213400000000, -0.0000108100000000, 0.0001815700000000 ] - [ -0.0010500300000000, 0.0006069200000000, 0.0007097200000000 ] - [ 0.0017342300000000, 0.0005892600000000, -0.0008212700000000 ] - [ 0.0001406900000000, -0.0005137800000000, -0.0002721400000000 ] - [ 0.0004340700000000, -0.0002572600000000, 0.0000781900000000 ] - [ -0.0010834200000000, 0.0003190000000000, 0.0000079900000000 ] - [ 0.0013934800000000, 0.0001111000000000, -0.0009079000000000 ] - [ 0.0000759800000000, -0.0000390600000000, 0.0004625600000000 ] - [ 0.0004408900000000, -0.0001881200000000, -0.0000687000000000 ] - [ -0.0000709300000000, 0.0004084300000000, 0.0004177500000000 ] - [ 0.0010065800000000, 0.0090323500000000, 0.0028934500000000 ] - [ -0.0000026300000000, -0.0005405100000000, 0.0003399600000000 ] - [ -0.0024086000000000, 0.0009862500000000, 0.0001153800000000 ] - [ -0.0000345300000000, -0.0011949900000000, 0.0022105200000000 ] - [ 0.0000569200000000, -0.0000305300000000, -0.0003774500000000 ] - [ -0.0042375000000000, -0.0036002200000000, -0.0002865400000000 ] - [ -0.0000399800000000, 0.0000287000000000, -0.0002347600000000 ] - [ 0.0004137200000000, 0.0008720400000000, 0.0022539800000000 ] - [ -0.0000378700000000, 0.0003700700000000, -0.0002817200000000 ] - [ 0.0020159300000000, -0.0038551400000000, 0.0023684500000000 ] - [ -0.0000201800000000, -0.0004368200000000, -0.0003107900000000 ] - [ -0.0000440700000000, -0.0000794000000000, -0.0007326900000000 ] - [ 0.0000728100000000, 0.0005854600000000, -0.0008566600000000 ] - [ 0.0009474300000000, 0.0006727900000000, -0.0014362600000000 ] - [ 0.0000399500000000, -0.0010035100000000, -0.0011270900000000 ] - [ 0.0003604100000000, -0.0000910900000000, -0.0011867800000000 ] - [ 0.0015601000000000, 0.0006055100000000, 0.0010770900000000 ] - [ -0.0006796900000000, 0.0003711000000000, -0.0002293900000000 ] - [ 0.0105178200000000, 0.0019785600000000, -0.0010761400000000 ] - [ -0.0028996400000000, -0.0009573600000000, 0.0029763500000000 ] - [ -0.0002516800000000, -0.0000839800000000, -0.0008464400000000 ] - [ -0.0044975300000000, 0.0054618700000000, -0.0000589100000000 ] - [ 0.0007917600000000, 0.0000408300000000, -0.0004419100000000 ] - [ -0.0003537400000000, -0.0002025000000000, -0.0004616900000000 ] - [ 0.0000569300000000, -0.0000910200000000, -0.0006355700000000 ] - [ -0.0049899500000000, -0.0013914800000000, 0.0004911700000000 ] - [ 0.0004699700000000, -0.0000508800000000, -0.0003310100000000 ] - [ -0.0000931100000000, 0.0002381600000000, -0.0012324000000000 ] - [ 0.0083904500000000, 0.0004963200000000, 0.0011720300000000 ] - [ -0.0002623400000000, 0.0000627900000000, -0.0017420900000000 ] - [ 0.0033695100000000, -0.0009463500000000, 0.0011239300000000 ] - [ -0.1977103600000000, -0.0346114100000000, 0.0789874900000000 ] - [ 0.0000249200000000, -0.0004167500000000, -0.0013411500000000 ] - [ -0.0066854900000000, -0.0027148500000000, -0.0008808600000000 ] - [ 0.0002768400000000, 0.0003597500000000, -0.0007897900000000 ] - [ -0.0005264500000000, 0.0003754600000000, -0.0008006900000000 ] - [ 0.0004415500000000, 0.0003212300000000, -0.0003001600000000 ] - [ -0.0003294900000000, 0.0001619500000000, 0.0002923800000000 ] - [ 0.0045589700000000, -0.0007436600000000, -0.0004008100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004896700000000, -0.0006989200000000, 0.0002649500000000 ] - [ 0.0007409900000000, -0.0001672900000000, 0.0001009100000000 ] - [ 0.0009432300000000, 0.0011049300000000, 0.0000300700000000 ] - [ -0.0004713600000000, -0.0004043900000000, 0.0002753300000000 ] - [ 0.0000272900000000, -0.0001137800000000, -0.0002930900000000 ] - [ -0.0002137000000000, 0.0003583300000000, 0.0005425100000000 ] - [ -0.0004497100000000, 0.0005895500000000, 0.0006737000000000 ] - [ -0.0000070400000000, -0.0005950900000000, 0.0000152200000000 ] - [ 0.0003581200000000, -0.0000901900000000, -0.0002833300000000 ] - [ 0.0001382100000000, 0.0008941800000000, 0.0004330100000000 ] - [ -0.0003658200000000, 0.0000780100000000, 0.0006426200000000 ] - [ 0.0001679500000000, -0.0010851000000000, -0.0011536100000000 ] - [ 0.0012897000000000, -0.0004803200000000, -0.0009175000000000 ] - [ -0.0003763900000000, 0.0001206000000000, 0.0005464200000000 ] - [ 0.0004492800000000, 0.0016140800000000, 0.0000336800000000 ] - [ 0.0003443300000000, -0.0000799200000000, -0.0004231800000000 ] - [ 0.0004367400000000, -0.0003076800000000, 0.0003300000000000 ] - [ -0.0006685700000000, -0.0002261000000000, -0.0005474900000000 ] - [ -0.0004570000000000, 0.0002947300000000, -0.0001391000000000 ] - [ 0.0008089900000000, 0.0019742800000000, 0.0003668100000000 ] - [ 0.0142909300000000, 0.0041082600000000, -0.0038058100000000 ] - [ 0.0003356700000000, 0.0002000600000000, 0.0003060900000000 ] - [ -0.0004958000000000, -0.0003172600000000, -0.0000029800000000 ] - [ 0.0004156500000000, 0.0004921900000000, -0.0001397900000000 ] - [ -0.0008057400000000, -0.0004221500000000, -0.0001729600000000 ] - [ 0.0010016200000000, 0.0034883800000000, -0.0011869400000000 ] - [ 0.0007513300000000, 0.0004228100000000, 0.0003109700000000 ] - [ -0.0131772000000000, -0.0040306200000000, 0.0034227300000000 ] - [ 0.0001163400000000, 0.0006143200000000, 0.0007160000000000 ] - [ 0.0004147200000000, -0.0004689700000000, 0.0001883900000000 ] - [ -0.0002521000000000, -0.0060781000000000, -0.0004736400000000 ] - [ -0.0003675300000000, 0.0004653900000000, -0.0001664300000000 ] - [ -0.0423543500000000, -0.0651409900000000, -0.0165402700000000 ] - [ -0.0001246000000000, -0.0000329100000000, 0.0005764500000000 ] - [ 0.0001378900000000, 0.0027782600000000, 0.0005114200000000 ] - [ 0.0000891000000000, 0.0000211000000000, -0.0004143800000000 ] - [ -0.0001018500000000, 0.0006621200000000, 0.0008733900000000 ] - [ -0.0002537600000000, 0.0028457900000000, -0.0025692600000000 ] - [ 0.0001900000000000, -0.0005690700000000, -0.0005548100000000 ] - [ 0.0002363000000000, -0.0020364500000000, 0.0031489700000000 ] - [ -0.0001652400000000, -0.0001398400000000, 0.0000012100000000 ] - [ 0.0001208900000000, 0.0033316400000000, 0.0029090700000000 ] - [ 0.0002430400000000, -0.0001762600000000, 0.0002008300000000 ] - [ -0.0003330500000000, -0.0005357400000000, -0.0011410300000000 ] - [ -0.0000967500000000, 0.0005288600000000, 0.0000761700000000 ] - [ -0.0022236000000000, 0.0107891100000000, 0.0046155100000000 ] - [ 0.0000790700000000, -0.0005330800000000, 0.0000342300000000 ] - [ 0.0000746200000000, -0.0003200200000000, -0.0003233300000000 ] - [ 0.0011719600000000, -0.0012507100000000, 0.0011477500000000 ] - [ -0.0000137600000000, -0.0000383900000000, -0.0000865200000000 ] - [ 0.0035258700000000, 0.0064349000000000, 0.0019312600000000 ] - [ 0.0000189300000000, 0.0000358200000000, -0.0000838200000000 ] - [ -0.0004493500000000, 0.0000072900000000, -0.0013767700000000 ] - [ -0.0000713800000000, 0.0003976400000000, 0.0000077100000000 ] - [ 0.0019486000000000, 0.0003278000000000, 0.0008044000000000 ] - [ 0.0000590700000000, -0.0004110200000000, -0.0002072500000000 ] - [ 0.0000375600000000, 0.0002629400000000, -0.0003204700000000 ] - [ 0.0001241800000000, 0.0001103000000000, 0.0001430000000000 ] - [ 0.0000251400000000, -0.0001097400000000, 0.0006245500000000 ] - [ 0.0000266900000000, -0.0002931900000000, -0.0003072600000000 ] - [ 0.0005719900000000, -0.0001297200000000, -0.0005561800000000 ] - [ -0.0006531000000000, -0.0008439900000000, 0.0003868300000000 ] - [ -0.0005873700000000, 0.0001304300000000, 0.0001822800000000 ] - [ 0.0027758300000000, 0.0011110900000000, -0.0016314900000000 ] - [ -0.0016864700000000, 0.0138171500000000, 0.0242851400000000 ] - [ -0.0002569300000000, -0.0001746700000000, -0.0003826300000000 ] - [ 0.0007411600000000, -0.0054804200000000, 0.0008298300000000 ] - [ 0.0001861800000000, 0.0001680100000000, 0.0001003800000000 ] - [ -0.0000814500000000, -0.0005824800000000, -0.0001387500000000 ] - [ -0.0003781200000000, -0.0000147700000000, 0.0000614400000000 ] - [ 0.0002271100000000, 0.0014061100000000, -0.0016641200000000 ] - [ 0.0000509100000000, -0.0000077800000000, 0.0003300800000000 ] - [ -0.0001155800000000, 0.0001076400000000, -0.0004884100000000 ] - [ -0.0003775400000000, 0.0011024600000000, 0.0012857200000000 ] - [ 0.0003136200000000, -0.0000392700000000, 0.0000055100000000 ] - [ -0.0016624000000000, -0.0028964700000000, 0.0001746500000000 ] - [ 0.0368651000000000, 0.0429747900000000, -0.0142710000000000 ] - [ -0.0001995500000000, -0.0003988100000000, -0.0005666100000000 ] - [ -0.0024452400000000, -0.0070552400000000, -0.0011157500000000 ] - [ 0.0002727900000000, 0.0004188800000000, 0.0003405300000000 ] - [ 0.0002098100000000, 0.0029338600000000, -0.0005970400000000 ] - [ -0.0001183400000000, 0.0005040200000000, -0.0000045200000000 ] - [ -0.0000099800000000, -0.0047469900000000, 0.0007899900000000 ] - [ 0.0000028600000000, -0.0005041800000000, -0.0005301800000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008301300000000, 0.0000411700000000, -0.0002540200000000 ] - [ 0.0005611300000000, -0.0004803900000000, -0.0001119600000000 ] - [ 0.0003689300000000, -0.0004524900000000, -0.0000365100000000 ] - [ -0.0008368800000000, 0.0010555600000000, -0.0002518300000000 ] - [ 0.0002995200000000, 0.0005201100000000, -0.0007624400000000 ] - [ -0.0001135700000000, 0.0000518900000000, 0.0005078900000000 ] - [ 0.0001120900000000, -0.0009969500000000, 0.0003861200000000 ] - [ 0.0003426200000000, 0.0001849000000000, -0.0010695000000000 ] - [ 0.0003902800000000, -0.0000535700000000, -0.0006638600000000 ] - [ -0.0008877300000000, -0.0010425500000000, 0.0005155300000000 ] - [ -0.0003798200000000, 0.0000644600000000, 0.0003017400000000 ] - [ 0.0005939000000000, 0.0012274100000000, 0.0002120900000000 ] - [ -0.0006078500000000, 0.0006551600000000, 0.0000763800000000 ] - [ -0.0003359000000000, 0.0000682000000000, 0.0002917000000000 ] - [ -0.0011670400000000, -0.0018091400000000, 0.0008093900000000 ] - [ 0.0003583100000000, -0.0000987900000000, -0.0004092700000000 ] - [ 0.0004539400000000, -0.0003296300000000, 0.0000960200000000 ] - [ -0.0002170800000000, -0.0004094500000000, 0.0001201900000000 ] - [ -0.0004338400000000, 0.0003511200000000, -0.0002894400000000 ] - [ 0.0000946300000000, -0.0013401300000000, 0.0000592500000000 ] - [ -0.0146953700000000, -0.0052130200000000, 0.0038577400000000 ] - [ 0.0003010700000000, 0.0001127300000000, 0.0000371100000000 ] - [ -0.0001421300000000, -0.0000020100000000, -0.0003548800000000 ] - [ 0.0002178300000000, -0.0007998300000000, 0.0004919300000000 ] - [ -0.0007487900000000, -0.0004174300000000, -0.0003115600000000 ] - [ 0.0005623600000000, -0.0043250200000000, 0.0016635700000000 ] - [ 0.0007985400000000, 0.0004179500000000, 0.0001745000000000 ] - [ 0.0116130400000000, 0.0048507500000000, -0.0039280500000000 ] - [ -0.0009154000000000, -0.0015018600000000, -0.0010334900000000 ] - [ 0.0003909000000000, -0.0004240500000000, 0.0001229700000000 ] - [ 0.0010750000000000, 0.0069642900000000, 0.0007555200000000 ] - [ -0.0004267600000000, 0.0004204800000000, -0.0001403700000000 ] - [ 0.0416214300000000, 0.0642982700000000, 0.0161535000000000 ] - [ -0.0000843400000000, -0.0000059600000000, 0.0004055200000000 ] - [ -0.0003477900000000, -0.0027320600000000, 0.0004625700000000 ] - [ 0.0001197300000000, 0.0000269200000000, -0.0005900900000000 ] - [ -0.0001972600000000, 0.0005527400000000, 0.0004846300000000 ] - [ 0.0005786200000000, -0.0016227900000000, 0.0012278400000000 ] - [ 0.0001312600000000, -0.0006514400000000, -0.0007961900000000 ] - [ -0.0005311000000000, 0.0008290900000000, -0.0017839300000000 ] - [ -0.0002745100000000, 0.0004560900000000, -0.0003315100000000 ] - [ 0.0003203200000000, -0.0030254400000000, -0.0025565500000000 ] - [ 0.0001999600000000, -0.0001221400000000, 0.0001313100000000 ] - [ -0.0001102800000000, 0.0002175200000000, 0.0008105700000000 ] - [ -0.0000758100000000, 0.0005257400000000, -0.0000569800000000 ] - [ 0.0024307100000000, -0.0097954600000000, -0.0047030100000000 ] - [ 0.0000810500000000, -0.0005417600000000, -0.0000644300000000 ] - [ -0.0007037500000000, 0.0006310400000000, -0.0000443200000000 ] - [ -0.0011496300000000, 0.0011855600000000, -0.0011301300000000 ] - [ 0.0000044700000000, -0.0000297500000000, 0.0000696800000000 ] - [ -0.0032245700000000, -0.0061045900000000, -0.0018340700000000 ] - [ -0.0000090100000000, 0.0000326900000000, 0.0000982200000000 ] - [ 0.0005879400000000, 0.0007682700000000, 0.0012329000000000 ] - [ -0.0000670300000000, 0.0003820100000000, 0.0001394100000000 ] - [ -0.0020521600000000, -0.0011496500000000, -0.0006429900000000 ] - [ 0.0000807000000000, -0.0003658100000000, 0.0000616400000000 ] - [ -0.0002649200000000, 0.0001242800000000, 0.0003404300000000 ] - [ 0.0001038400000000, 0.0002788800000000, -0.0001593600000000 ] - [ 0.0001981200000000, -0.0002899200000000, -0.0006412500000000 ] - [ -0.0002537400000000, -0.0000873700000000, 0.0003273000000000 ] - [ 0.0005741000000000, -0.0001271300000000, -0.0001662900000000 ] - [ -0.0004933100000000, 0.0005872700000000, 0.0003279300000000 ] - [ -0.0005585100000000, 0.0001198300000000, 0.0005383800000000 ] - [ -0.0016713500000000, -0.0008627500000000, 0.0009179800000000 ] - [ 0.0023266000000000, -0.0139897100000000, -0.0241696400000000 ] - [ -0.0002784200000000, -0.0001469300000000, -0.0001313400000000 ] - [ -0.0012605800000000, 0.0058047900000000, -0.0013532600000000 ] - [ 0.0003480200000000, 0.0001570600000000, 0.0004205000000000 ] - [ 0.0005071900000000, 0.0004609400000000, 0.0000860800000000 ] - [ -0.0000447900000000, -0.0001112200000000, 0.0000011200000000 ] - [ -0.0006295000000000, -0.0012585200000000, 0.0017213600000000 ] - [ 0.0003680200000000, 0.0001276100000000, -0.0003914200000000 ] - [ -0.0001609900000000, 0.0001332800000000, 0.0001020400000000 ] - [ 0.0006423400000000, -0.0008617900000000, -0.0008725200000000 ] - [ -0.0000289700000000, -0.0002077100000000, 0.0003909900000000 ] - [ 0.0013916000000000, 0.0026598700000000, -0.0005811600000000 ] - [ -0.0357810600000000, -0.0432335000000000, 0.0149294300000000 ] - [ -0.0002442800000000, -0.0004160500000000, -0.0003707300000000 ] - [ 0.0020089600000000, 0.0078712000000000, 0.0001971600000000 ] - [ 0.0001738900000000, 0.0003986800000000, 0.0005962900000000 ] - [ -0.0000371700000000, -0.0018611400000000, 0.0001875100000000 ] - [ -0.0000587500000000, 0.0005471600000000, 0.0004160200000000 ] - [ -0.0001647500000000, 0.0036871100000000, -0.0003953100000000 ] - [ 0.0001636400000000, -0.0005531600000000, 0.0001257300000000 ]- atom: 33 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ 0.0007416500000000, -0.0008635100000000, 0.0022717300000000 ] - [ 0.0012131200000000, -0.0003375700000000, 0.0002792200000000 ] - [ 0.0013638600000000, 0.0007773500000000, 0.0007573200000000 ] - [ 0.0015074300000000, 0.0001292700000000, 0.0002450700000000 ] - [ -0.0006421200000000, 0.0000852600000000, 0.0022543900000000 ] - [ -0.0007349800000000, 0.0002397300000000, 0.0010670600000000 ] - [ -0.0002682300000000, 0.0001005100000000, 0.0015027300000000 ] - [ -0.0015629100000000, -0.0001823700000000, -0.0001453700000000 ] - [ 0.0006443900000000, -0.0001562400000000, 0.0025582500000000 ] - [ -0.0015979500000000, -0.0003869500000000, -0.0024875000000000 ] - [ -0.0002430200000000, 0.0000000800000000, 0.0026521500000000 ] - [ -0.0058285600000000, -0.0004891000000000, -0.0044999800000000 ] - [ -0.0116600600000000, -0.0009822000000000, 0.0051896400000000 ] - [ -0.0003564000000000, 0.0001613400000000, 0.0014936600000000 ] - [ -0.0017021900000000, -0.0003850200000000, -0.0004861100000000 ] - [ -0.0002330300000000, 0.0001107800000000, 0.0023227400000000 ] - [ 0.0004037500000000, -0.0002616100000000, 0.0014304700000000 ] - [ -0.0029277500000000, -0.0020101300000000, -0.0016416600000000 ] - [ -0.0002450800000000, -0.0002499500000000, 0.0013826200000000 ] - [ -0.0012669600000000, 0.0010640100000000, -0.0009383700000000 ] - [ -0.0048992900000000, -0.0099438100000000, -0.0069031600000000 ] - [ -0.0000783100000000, -0.0003459000000000, 0.0018794300000000 ] - [ -0.0003229700000000, -0.0002505400000000, 0.0026233200000000 ] - [ -0.0001442000000000, -0.0001859800000000, -0.0009748900000000 ] - [ -0.0007684000000000, -0.0002540300000000, 0.0009942300000000 ] - [ -0.0001710000000000, 0.0005805900000000, -0.0002311200000000 ] - [ 0.0005835300000000, 0.0003647900000000, 0.0011327300000000 ] - [ -0.0143712600000000, 0.0040928300000000, -0.0045486200000000 ] - [ 0.0008564800000000, 0.0005839900000000, 0.0009834600000000 ] - [ 0.0004701100000000, -0.0005265700000000, 0.0024338300000000 ] - [ -0.0123689900000000, -0.0024632900000000, 0.0189935100000000 ] - [ -0.0004521400000000, 0.0004100500000000, 0.0008343800000000 ] - [ 0.2088842300000000, 0.0082394700000000, -0.1789089300000000 ] - [ -0.0006822300000000, -0.0000999000000000, 0.0018223500000000 ] - [ 0.0033639200000000, -0.0000758700000000, -0.0025686800000000 ] - [ -0.0006429500000000, -0.0000786600000000, 0.0014519600000000 ] - [ -0.0000045600000000, 0.0009875000000000, 0.0021327400000000 ] - [ 0.0009034700000000, 0.0003607000000000, -0.0017326500000000 ] - [ 0.0003850500000000, -0.0002999700000000, 0.0005808300000000 ] - [ 0.0036369200000000, -0.0001508000000000, 0.0096678600000000 ] - [ -0.0002971800000000, -0.0005103100000000, 0.0005982900000000 ] - [ 0.0013210400000000, 0.0034953200000000, 0.0007125300000000 ] - [ 0.0002795000000000, 0.0001433200000000, 0.0009557100000000 ] - [ 0.0005905600000000, -0.0017346500000000, 0.0014108300000000 ] - [ -0.0000517200000000, 0.0002707400000000, 0.0011951700000000 ] - [ -0.0007964400000000, 0.0135413000000000, 0.0025914800000000 ] - [ -0.0000535200000000, -0.0003709000000000, 0.0009337700000000 ] - [ -0.0024483900000000, 0.0010736900000000, -0.0005160900000000 ] - [ -0.0010784600000000, -0.0000855000000000, 0.0021743400000000 ] - [ 0.0000743900000000, -0.0000950900000000, -0.0011951600000000 ] - [ -0.0012006700000000, -0.0003029300000000, 0.0035750500000000 ] - [ -0.0000599300000000, 0.0001091100000000, -0.0009473300000000 ] - [ -0.0004150000000000, 0.0000856000000000, 0.0024609100000000 ] - [ -0.0000597600000000, 0.0004553100000000, -0.0011371100000000 ] - [ -0.0001172400000000, -0.0013808100000000, 0.0043048300000000 ] - [ -0.0001144000000000, -0.0006393700000000, -0.0010485000000000 ] - [ 0.0002701900000000, -0.0003778700000000, -0.0013457200000000 ] - [ 0.0003993800000000, 0.0008770600000000, -0.0013493500000000 ] - [ 0.0019110000000000, 0.0019053700000000, -0.0014456100000000 ] - [ 0.0008362000000000, -0.0018503400000000, -0.0008451900000000 ] - [ 0.0001513400000000, -0.0002522400000000, -0.0032216000000000 ] - [ 0.0019591700000000, 0.0008135100000000, 0.0015045600000000 ] - [ -0.0007763700000000, 0.0006873400000000, -0.0015404500000000 ] - [ 0.0076784400000000, 0.0011126000000000, 0.0013310000000000 ] - [ -0.0047837700000000, 0.0146522400000000, 0.0454558700000000 ] - [ -0.0002957500000000, -0.0000187600000000, -0.0019401600000000 ] - [ -0.0023937500000000, 0.0043064100000000, 0.0028065600000000 ] - [ 0.0008690000000000, -0.0000577300000000, -0.0018738000000000 ] - [ -0.0004801500000000, 0.0005475200000000, -0.0015201800000000 ] - [ -0.0009422100000000, -0.0002878100000000, -0.0012233400000000 ] - [ -0.0067463100000000, -0.0039441900000000, -0.0053722900000000 ] - [ -0.0002448100000000, 0.0003852300000000, 0.0003006200000000 ] - [ 0.0003871200000000, 0.0003892900000000, -0.0032105000000000 ] - [ 0.0104737000000000, 0.0004324400000000, 0.0057788200000000 ] - [ 0.0000401600000000, 0.0006397800000000, -0.0050784100000000 ] - [ 0.0019630400000000, -0.0006028700000000, 0.0033087100000000 ] - [ -0.1601754500000000, -0.0280610900000000, 0.1059165200000000 ] - [ 0.0004109600000000, -0.0004847500000000, -0.0023864900000000 ] - [ -0.0073297200000000, -0.0047856900000000, -0.0004309200000000 ] - [ 0.0006287400000000, 0.0004054500000000, -0.0027837900000000 ] - [ -0.0001585100000000, 0.0049569200000000, -0.0067900600000000 ] - [ 0.0000146300000000, -0.0000332800000000, -0.0014033200000000 ] - [ -0.0004373000000000, -0.0024011600000000, -0.0010282400000000 ] - [ 0.0004159000000000, -0.0003165000000000, -0.0025525900000000 ]- atom: 33 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ -0.0020413300000000, 0.0002157800000000, -0.0022515100000000 ] - [ 0.0000901100000000, -0.0003114100000000, -0.0002910000000000 ] - [ -0.0000544200000000, -0.0001240700000000, -0.0007726200000000 ] - [ -0.0028150400000000, 0.0005223900000000, -0.0002461100000000 ] - [ 0.0009724900000000, 0.0003282100000000, -0.0032940600000000 ] - [ 0.0004044500000000, 0.0001749700000000, -0.0000164600000000 ] - [ -0.0000659700000000, -0.0005151000000000, -0.0004562200000000 ] - [ 0.0018907500000000, -0.0002304200000000, -0.0009109800000000 ] - [ 0.0001023500000000, 0.0000171100000000, -0.0034865100000000 ] - [ 0.0008489200000000, 0.0002481800000000, 0.0034316400000000 ] - [ -0.0005048000000000, 0.0001413400000000, -0.0016935200000000 ] - [ 0.0065966900000000, 0.0006232700000000, 0.0035478300000000 ] - [ 0.0124412000000000, 0.0011835400000000, -0.0061175900000000 ] - [ -0.0003424700000000, 0.0000172800000000, -0.0006642300000000 ] - [ 0.0009896900000000, 0.0002005700000000, 0.0013198000000000 ] - [ 0.0009353900000000, -0.0002916900000000, -0.0031355200000000 ] - [ 0.0004909700000000, -0.0003867000000000, -0.0010021900000000 ] - [ 0.0020246000000000, 0.0013601400000000, 0.0012178500000000 ] - [ -0.0006463300000000, 0.0008945100000000, -0.0017992800000000 ] - [ 0.0021530700000000, -0.0004201500000000, 0.0013638000000000 ] - [ 0.0046950700000000, 0.0087680300000000, 0.0068039600000000 ] - [ 0.0007128800000000, 0.0006517800000000, -0.0015302100000000 ] - [ -0.0003040900000000, -0.0000538600000000, -0.0029588700000000 ] - [ 0.0007734300000000, -0.0001117400000000, 0.0013194900000000 ] - [ -0.0007784100000000, -0.0005901600000000, -0.0014779800000000 ] - [ 0.0017203700000000, -0.0014281600000000, 0.0007210100000000 ] - [ 0.0009618000000000, 0.0004734600000000, -0.0006475900000000 ] - [ 0.0126283500000000, -0.0031553600000000, 0.0039603200000000 ] - [ -0.0016507500000000, -0.0014660900000000, -0.0012711400000000 ] - [ 0.0003227800000000, -0.0003583600000000, -0.0021203300000000 ] - [ 0.0128173900000000, 0.0032421500000000, -0.0180419300000000 ] - [ -0.0003468800000000, 0.0004801000000000, -0.0011343500000000 ] - [ -0.1999386000000000, -0.0047491100000000, 0.1776798600000000 ] - [ 0.0004771700000000, 0.0000516400000000, -0.0008180700000000 ] - [ -0.0035613400000000, 0.0001174200000000, 0.0035492000000000 ] - [ 0.0008442900000000, 0.0001226600000000, -0.0024388900000000 ] - [ -0.0003059900000000, 0.0002275600000000, -0.0007797800000000 ] - [ -0.0005812600000000, 0.0008758000000000, 0.0003563600000000 ] - [ -0.0000818100000000, -0.0009199200000000, -0.0019433900000000 ] - [ -0.0039585700000000, -0.0011193100000000, -0.0083210800000000 ] - [ -0.0001453200000000, 0.0008218800000000, -0.0009297500000000 ] - [ -0.0008699200000000, -0.0031729400000000, -0.0003966100000000 ] - [ 0.0001589800000000, -0.0004567100000000, -0.0006270300000000 ] - [ -0.0010308800000000, 0.0014139700000000, -0.0017370400000000 ] - [ -0.0001041000000000, 0.0007940000000000, -0.0011570500000000 ] - [ 0.0009800600000000, -0.0125304300000000, -0.0026103200000000 ] - [ 0.0002167900000000, -0.0006873200000000, -0.0009603400000000 ] - [ 0.0018182900000000, -0.0007749700000000, 0.0001720500000000 ] - [ 0.0010807600000000, 0.0000201600000000, -0.0021560400000000 ] - [ -0.0000839300000000, 0.0000331800000000, 0.0011696400000000 ] - [ 0.0011664400000000, 0.0003339200000000, -0.0035989400000000 ] - [ 0.0000679900000000, -0.0000445200000000, 0.0009673900000000 ] - [ 0.0005499000000000, 0.0006902800000000, -0.0026062100000000 ] - [ -0.0000796700000000, 0.0003226500000000, 0.0012753600000000 ] - [ 0.0000004000000000, 0.0005936300000000, -0.0041566500000000 ] - [ 0.0002537800000000, -0.0001401900000000, 0.0009033300000000 ] - [ -0.0004954000000000, 0.0007658800000000, 0.0013570100000000 ] - [ -0.0001696400000000, -0.0004884900000000, 0.0013276600000000 ] - [ -0.0016659000000000, -0.0022779900000000, 0.0014256500000000 ] - [ -0.0010560500000000, 0.0014476500000000, 0.0008622600000000 ] - [ 0.0009923200000000, -0.0000023200000000, 0.0024854300000000 ] - [ -0.0030925300000000, -0.0010706400000000, -0.0007920100000000 ] - [ -0.0003687000000000, -0.0004267200000000, 0.0022575700000000 ] - [ -0.0065281200000000, -0.0008503700000000, -0.0020445400000000 ] - [ 0.0056406500000000, -0.0164770600000000, -0.0480483300000000 ] - [ -0.0002400300000000, -0.0003033300000000, 0.0014174200000000 ] - [ 0.0018544900000000, -0.0039915900000000, -0.0033093100000000 ] - [ -0.0003246800000000, 0.0003788000000000, 0.0023845200000000 ] - [ 0.0009017700000000, -0.0006698900000000, 0.0014547700000000 ] - [ 0.0005154600000000, 0.0001641200000000, 0.0012782200000000 ] - [ 0.0062353700000000, 0.0040275100000000, 0.0054172400000000 ] - [ 0.0006674900000000, -0.0002620000000000, -0.0003533400000000 ] - [ -0.0006574400000000, -0.0001457400000000, 0.0028074600000000 ] - [ -0.0101923500000000, -0.0001843900000000, -0.0053638500000000 ] - [ 0.0002331600000000, -0.0008789700000000, 0.0054304600000000 ] - [ -0.0022241700000000, 0.0003567100000000, -0.0037103200000000 ] - [ 0.1520719000000000, 0.0255151500000000, -0.1018841100000000 ] - [ -0.0008559200000000, -0.0003318500000000, 0.0014490600000000 ] - [ 0.0068740900000000, 0.0055612700000000, -0.0005155900000000 ] - [ -0.0001824300000000, 0.0004118300000000, 0.0037104000000000 ] - [ 0.0003313200000000, -0.0038807100000000, 0.0063550700000000 ] - [ -0.0001959500000000, 0.0010891700000000, 0.0017999200000000 ] - [ 0.0002590000000000, 0.0013381400000000, 0.0014478800000000 ] - [ -0.0002234300000000, -0.0007370600000000, 0.0021518800000000 ]- atom: 37 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ -0.0004128200000000, -0.0003458000000000, 0.0003538800000000 ] - [ 0.0007612100000000, -0.0003409000000000, 0.0002018300000000 ] - [ 0.0009036400000000, -0.0012778000000000, 0.0002914100000000 ] - [ 0.0004067500000000, 0.0082073000000000, 0.0129918500000000 ] - [ 0.0001880100000000, 0.0001905100000000, -0.0003643500000000 ] - [ -0.0003293300000000, 0.0001642000000000, 0.0008599000000000 ] - [ 0.0008770500000000, -0.0005328500000000, -0.0003360800000000 ] - [ -0.0020541600000000, -0.0052510800000000, -0.0128721300000000 ] - [ 0.0018817900000000, 0.0002130400000000, -0.0003030000000000 ] - [ -0.0003943000000000, -0.0000492400000000, 0.0006688900000000 ] - [ 0.0000164100000000, -0.0002159200000000, -0.0000151700000000 ] - [ -0.0002668200000000, 0.0000355600000000, -0.0004228200000000 ] - [ 0.0002054700000000, 0.0000861500000000, -0.0002894500000000 ] - [ -0.0004038900000000, 0.0000784200000000, 0.0003929300000000 ] - [ -0.0002264800000000, 0.0000231800000000, 0.0002547200000000 ] - [ 0.0125072900000000, -0.0020151200000000, 0.0017542800000000 ] - [ 0.0006375400000000, -0.0004601100000000, 0.0001830700000000 ] - [ -0.0005032200000000, -0.0003581300000000, -0.0000551600000000 ] - [ 0.0024564900000000, 0.0000595400000000, -0.0004363900000000 ] - [ -0.0001149400000000, 0.0006886900000000, 0.0001725100000000 ] - [ 0.0004161800000000, -0.0005356500000000, 0.0001377000000000 ] - [ 0.0005244000000000, 0.0002371000000000, 0.0002380300000000 ] - [ 0.0063722300000000, 0.0019387500000000, -0.0020279800000000 ] - [ -0.0002243800000000, 0.0000210900000000, 0.0003679800000000 ] - [ -0.0015381700000000, -0.0004546300000000, -0.0011187000000000 ] - [ 0.0007027600000000, -0.0004519000000000, 0.0004833900000000 ] - [ 0.0012552600000000, 0.0014796500000000, 0.0000202700000000 ] - [ 0.0003368600000000, 0.0003488200000000, -0.0005617700000000 ] - [ -0.0003168600000000, -0.0003909000000000, 0.0001651700000000 ] - [ -0.0002797400000000, -0.0002574000000000, 0.0006413400000000 ] - [ 0.0020620100000000, 0.0006629600000000, 0.0006473700000000 ] - [ -0.0014527700000000, 0.0029365000000000, -0.0014063900000000 ] - [ 0.0009821300000000, 0.0000116800000000, 0.0001923500000000 ] - [ -0.0016668700000000, 0.0003979300000000, 0.0004571200000000 ] - [ -0.0000690000000000, 0.0000585200000000, 0.0007849700000000 ] - [ -0.0004590300000000, -0.0003712000000000, 0.0035536900000000 ] - [ -0.0928210300000000, 0.0156352500000000, -0.0366496700000000 ] - [ 0.0007236100000000, 0.0005165100000000, -0.0003660000000000 ] - [ -0.0000021600000000, -0.0004629300000000, -0.0002941500000000 ] - [ -0.0000109200000000, -0.0006955900000000, 0.0010206100000000 ] - [ -0.0076378400000000, 0.0017855200000000, -0.0002870400000000 ] - [ 0.0012408700000000, -0.0011277000000000, 0.0002783000000000 ] - [ 0.0001840300000000, -0.0002577900000000, 0.0004547700000000 ] - [ -0.0001580400000000, -0.0001136200000000, 0.0000060500000000 ] - [ -0.0012459500000000, 0.0006942600000000, -0.0012709600000000 ] - [ 0.0001220800000000, 0.0006350600000000, 0.0002996500000000 ] - [ 0.0027968800000000, 0.0055321400000000, 0.0031929300000000 ] - [ -0.0004193300000000, 0.0002367000000000, 0.0001254400000000 ] - [ -0.0000299300000000, -0.0000734800000000, -0.0000744200000000 ] - [ -0.0002880000000000, 0.0002041200000000, -0.0003959400000000 ] - [ 0.0000615400000000, 0.0006977800000000, -0.0011129800000000 ] - [ 0.0000102400000000, -0.0011215400000000, 0.0008359900000000 ] - [ 0.0000340100000000, 0.0004046200000000, -0.0001984700000000 ] - [ -0.0004976800000000, 0.0003848600000000, -0.0006937700000000 ] - [ 0.0002380600000000, -0.0013755300000000, -0.0011399700000000 ] - [ 0.0040442300000000, -0.0015338500000000, -0.0002996900000000 ] - [ -0.0000537400000000, 0.0002239700000000, -0.0000869000000000 ] - [ 0.0001600700000000, 0.0001447100000000, -0.0001072300000000 ] - [ -0.0002716700000000, 0.0005489200000000, 0.0004083300000000 ] - [ -0.0019237200000000, -0.0011969300000000, 0.0011992000000000 ] - [ 0.0002039800000000, -0.0000739600000000, -0.0003916900000000 ] - [ -0.0004781400000000, -0.0001179700000000, 0.0000768600000000 ] - [ -0.0017238300000000, 0.0004067500000000, 0.0010633600000000 ] - [ 0.0016097000000000, -0.0016579100000000, 0.0020253200000000 ] - [ 0.0002777300000000, -0.0002050100000000, -0.0003100000000000 ] - [ 0.0003265400000000, 0.0000462200000000, -0.0004437800000000 ] - [ -0.0008510400000000, 0.0001952700000000, -0.0006551600000000 ] - [ 0.0459405800000000, -0.0093758700000000, 0.0304480400000000 ] - [ 0.0000743100000000, -0.0001113000000000, -0.0002432200000000 ] - [ -0.0002616100000000, 0.0000144200000000, -0.0005051800000000 ] - [ -0.0068686600000000, 0.0009738300000000, -0.0007703000000000 ] - [ 0.0016439700000000, -0.0004780200000000, 0.0000936800000000 ] - [ -0.0004462600000000, 0.0001773300000000, 0.0002557400000000 ] - [ 0.0001769400000000, 0.0000674700000000, -0.0001895200000000 ] - [ -0.0091533100000000, -0.0041104400000000, -0.0002162300000000 ] - [ 0.0000794200000000, -0.0003202400000000, -0.0002633500000000 ] - [ -0.0017615100000000, -0.0000726500000000, -0.0001363300000000 ] - [ 0.0029115500000000, -0.0053969100000000, 0.0010788800000000 ] - [ -0.0002625400000000, 0.0003110300000000, -0.0009940600000000 ] - [ 0.0049516200000000, -0.0004834500000000, 0.0005141400000000 ] - [ -0.0001310000000000, 0.0005957800000000, -0.0007194900000000 ] - [ -0.0000452200000000, 0.0004957000000000, -0.0004049600000000 ] - [ -0.0019873700000000, 0.0008410700000000, 0.0007281400000000 ] - [ 0.0387378200000000, -0.0059375300000000, -0.0004902100000000 ]- atom: 37 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ -0.0008944000000000, -0.0003078300000000, -0.0003383300000000 ] - [ 0.0005391900000000, -0.0003092400000000, -0.0002135600000000 ] - [ 0.0004117600000000, 0.0019413300000000, -0.0002982100000000 ] - [ -0.0017144300000000, -0.0076172400000000, -0.0131411200000000 ] - [ 0.0001430700000000, 0.0002169600000000, -0.0006882700000000 ] - [ 0.0000036300000000, 0.0002445400000000, 0.0001949200000000 ] - [ -0.0012112600000000, 0.0001225900000000, 0.0013844700000000 ] - [ 0.0023620600000000, 0.0048162700000000, 0.0117212500000000 ] - [ -0.0011290800000000, -0.0003604900000000, -0.0006313100000000 ] - [ -0.0003557300000000, -0.0000942600000000, 0.0002824300000000 ] - [ -0.0007625200000000, 0.0003576900000000, 0.0009633700000000 ] - [ 0.0010180500000000, 0.0001101400000000, -0.0005229800000000 ] - [ 0.0004962300000000, 0.0000908300000000, -0.0005348200000000 ] - [ -0.0003063700000000, 0.0001139600000000, 0.0004543700000000 ] - [ -0.0004789400000000, -0.0002004600000000, 0.0005716700000000 ] - [ -0.0116702100000000, 0.0017768200000000, -0.0025768100000000 ] - [ 0.0002520800000000, -0.0001780600000000, 0.0002468100000000 ] - [ -0.0003851100000000, -0.0002802300000000, -0.0003703600000000 ] - [ -0.0033323200000000, 0.0005601200000000, 0.0000166000000000 ] - [ 0.0010068900000000, -0.0000474800000000, 0.0002550400000000 ] - [ -0.0005772800000000, -0.0005390400000000, -0.0001088600000000 ] - [ 0.0001109900000000, 0.0000784700000000, 0.0001147900000000 ] - [ -0.0070469400000000, -0.0022584000000000, 0.0016819200000000 ] - [ 0.0008578600000000, -0.0003254000000000, -0.0000190000000000 ] - [ -0.0000141800000000, -0.0003895700000000, 0.0006377600000000 ] - [ 0.0008527900000000, -0.0003878300000000, 0.0000013000000000 ] - [ 0.0002892700000000, -0.0006406300000000, 0.0004607900000000 ] - [ -0.0018958900000000, 0.0004918800000000, 0.0000797600000000 ] - [ -0.0004779100000000, -0.0004947100000000, -0.0004780400000000 ] - [ 0.0010788900000000, -0.0006327400000000, -0.0003228700000000 ] - [ -0.0012693400000000, 0.0002221900000000, -0.0003479900000000 ] - [ 0.0006507700000000, -0.0020314000000000, 0.0010856400000000 ] - [ -0.0007832300000000, -0.0000656600000000, -0.0011926000000000 ] - [ 0.0014608800000000, -0.0004301800000000, 0.0005159700000000 ] - [ -0.0001331000000000, -0.0000066500000000, 0.0002170900000000 ] - [ 0.0006931100000000, 0.0004095000000000, -0.0045281300000000 ] - [ 0.0906084600000000, -0.0149733500000000, 0.0350229400000000 ] - [ -0.0004192300000000, 0.0006984400000000, -0.0009919800000000 ] - [ 0.0003261000000000, -0.0007554200000000, -0.0010475300000000 ] - [ -0.0002871600000000, -0.0005111100000000, 0.0003308800000000 ] - [ 0.0072017400000000, -0.0013583600000000, 0.0000079700000000 ] - [ -0.0007958500000000, 0.0014396000000000, 0.0000451300000000 ] - [ 0.0002612000000000, -0.0000580800000000, -0.0001145000000000 ] - [ -0.0002861500000000, -0.0001969200000000, -0.0003316700000000 ] - [ 0.0010669400000000, 0.0003612800000000, 0.0012988100000000 ] - [ 0.0000419700000000, 0.0004421500000000, -0.0003249600000000 ] - [ -0.0026036800000000, -0.0065509700000000, -0.0031834600000000 ] - [ -0.0002202500000000, 0.0000828200000000, -0.0004762200000000 ] - [ 0.0000391600000000, 0.0000049200000000, 0.0000878700000000 ] - [ 0.0002796500000000, -0.0002707900000000, 0.0003771500000000 ] - [ -0.0000730200000000, -0.0006296600000000, 0.0010965500000000 ] - [ -0.0000118900000000, 0.0011914500000000, -0.0008125600000000 ] - [ 0.0001055600000000, 0.0003736700000000, 0.0000501600000000 ] - [ 0.0003590500000000, 0.0003929300000000, 0.0008378500000000 ] - [ -0.0003814800000000, 0.0005965200000000, 0.0012785500000000 ] - [ -0.0040474300000000, 0.0009279100000000, 0.0002793600000000 ] - [ -0.0001754800000000, 0.0001651900000000, 0.0001031800000000 ] - [ 0.0000677700000000, 0.0002427700000000, 0.0000856700000000 ] - [ 0.0005123800000000, -0.0009375300000000, -0.0004178200000000 ] - [ 0.0016921600000000, 0.0008007200000000, -0.0011665000000000 ] - [ 0.0009369700000000, -0.0001792700000000, -0.0003406100000000 ] - [ -0.0006615500000000, -0.0001420700000000, 0.0006326000000000 ] - [ 0.0005831700000000, -0.0001442800000000, -0.0003404700000000 ] - [ -0.0004736900000000, 0.0019217500000000, -0.0027585500000000 ] - [ 0.0002562100000000, -0.0001183200000000, 0.0008272500000000 ] - [ -0.0008643400000000, -0.0003725200000000, -0.0000765400000000 ] - [ 0.0003196900000000, 0.0001263300000000, 0.0001386500000000 ] - [ -0.0434571500000000, 0.0092302900000000, -0.0279188000000000 ] - [ 0.0003495000000000, -0.0000130300000000, 0.0001818500000000 ] - [ -0.0001615400000000, -0.0001368500000000, 0.0005604000000000 ] - [ 0.0064571200000000, -0.0008427000000000, 0.0008668900000000 ] - [ -0.0012272100000000, 0.0005556000000000, -0.0001644100000000 ] - [ 0.0001691200000000, 0.0000619700000000, -0.0006558400000000 ] - [ 0.0000941400000000, 0.0001734300000000, 0.0005881400000000 ] - [ 0.0094331000000000, 0.0038669100000000, 0.0005680300000000 ] - [ -0.0003403300000000, 0.0000695100000000, -0.0001379800000000 ] - [ 0.0022144400000000, -0.0007423600000000, 0.0010776200000000 ] - [ -0.0033559700000000, 0.0045673300000000, -0.0019923600000000 ] - [ -0.0001876500000000, 0.0005035300000000, 0.0000549300000000 ] - [ -0.0045094700000000, 0.0013102700000000, 0.0004099100000000 ] - [ 0.0002999400000000, 0.0004595500000000, 0.0003129000000000 ] - [ -0.0001311700000000, 0.0005592100000000, 0.0008031900000000 ] - [ 0.0018008500000000, -0.0019072800000000, -0.0003189400000000 ] - [ -0.0385939700000000, 0.0057590100000000, 0.0010745700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005405300000000, -0.0003585600000000, 0.0003524500000000 ] - [ 0.0007695100000000, -0.0002900100000000, 0.0004417800000000 ] - [ 0.0013868100000000, 0.0039652300000000, -0.0011571300000000 ] - [ 0.0024535000000000, -0.0040291300000000, 0.0024826900000000 ] - [ 0.0000233900000000, 0.0002039100000000, -0.0001335600000000 ] - [ -0.0003426400000000, 0.0001703800000000, 0.0011356400000000 ] - [ 0.0002904200000000, -0.0002103200000000, -0.0002692900000000 ] - [ -0.0033349200000000, -0.0052634300000000, 0.0056093200000000 ] - [ 0.0004514200000000, -0.0003764900000000, -0.0007880800000000 ] - [ -0.0005639100000000, 0.0002102100000000, 0.0011282200000000 ] - [ -0.0005794700000000, 0.0005571700000000, 0.0006781200000000 ] - [ 0.0004680700000000, -0.0000418900000000, 0.0008751400000000 ] - [ 0.0004872500000000, 0.0000634700000000, 0.0000740500000000 ] - [ -0.0005857000000000, 0.0002905100000000, 0.0006998100000000 ] - [ -0.0007234000000000, 0.0001804800000000, 0.0001890400000000 ] - [ -0.0012553000000000, -0.0010817200000000, -0.0010678700000000 ] - [ 0.0003928400000000, -0.0000814600000000, 0.0003954900000000 ] - [ -0.0004837700000000, -0.0004670200000000, 0.0001946100000000 ] - [ 0.0002042800000000, 0.0002435000000000, -0.0006960500000000 ] - [ 0.0006448800000000, 0.0003998200000000, -0.0003016500000000 ] - [ -0.0002957600000000, -0.0002170500000000, 0.0001874200000000 ] - [ 0.0002657600000000, 0.0001483400000000, 0.0006255600000000 ] - [ -0.0010798700000000, -0.0012269300000000, -0.0009451700000000 ] - [ -0.0004519400000000, 0.0014402800000000, 0.0017957700000000 ] - [ -0.0009052200000000, -0.0009877500000000, -0.0006873300000000 ] - [ 0.0008226400000000, -0.0004692900000000, 0.0005024400000000 ] - [ 0.0014199400000000, 0.0020644800000000, 0.0000698100000000 ] - [ -0.0014746700000000, 0.0002989400000000, 0.0002851800000000 ] - [ -0.0003002300000000, -0.0003838700000000, 0.0003961500000000 ] - [ 0.0006742000000000, -0.0008622600000000, 0.0008901000000000 ] - [ 0.0002738200000000, 0.0003424500000000, -0.0000148100000000 ] - [ -0.0006390200000000, 0.0074084800000000, -0.0022322900000000 ] - [ 0.0001232500000000, 0.0000425300000000, -0.0000511100000000 ] - [ -0.0001200300000000, 0.0021966700000000, 0.0007990500000000 ] - [ -0.0002170300000000, 0.0000571600000000, 0.0007858900000000 ] - [ 0.0004638300000000, -0.0014003900000000, -0.0008720200000000 ] - [ 0.0153824000000000, -0.1552728400000000, -0.1167680300000000 ] - [ 0.0002490300000000, 0.0010396400000000, -0.0012370100000000 ] - [ 0.0002847000000000, -0.0002925300000000, 0.0001355600000000 ] - [ -0.0000712000000000, -0.0007415000000000, 0.0011851300000000 ] - [ -0.0001522600000000, 0.0283230600000000, 0.0108663100000000 ] - [ 0.0002645400000000, -0.0002308800000000, -0.0002104300000000 ] - [ 0.0002235600000000, -0.0000715300000000, 0.0005382700000000 ] - [ -0.0002242500000000, -0.0001866800000000, 0.0001664600000000 ] - [ -0.0002473700000000, -0.0002324600000000, 0.0025135900000000 ] - [ 0.0001703700000000, 0.0006954900000000, 0.0003046600000000 ] - [ 0.0037042300000000, 0.0050226600000000, 0.0023494700000000 ] - [ -0.0004996600000000, 0.0003071900000000, 0.0004975800000000 ] - [ 0.0000600500000000, 0.0000520300000000, -0.0003090300000000 ] - [ -0.0000303300000000, -0.0001608700000000, -0.0001471600000000 ] - [ -0.0000777400000000, 0.0005171700000000, -0.0001566800000000 ] - [ -0.0012203000000000, -0.0014361900000000, 0.0020417200000000 ] - [ 0.0001134900000000, 0.0003446200000000, -0.0003797400000000 ] - [ -0.0002705200000000, 0.0007085400000000, -0.0005334600000000 ] - [ -0.0004036100000000, -0.0008611900000000, -0.0007027900000000 ] - [ -0.0014007100000000, 0.0019056000000000, 0.0011717500000000 ] - [ -0.0000910100000000, 0.0001504000000000, -0.0002814700000000 ] - [ 0.0001516200000000, 0.0002373300000000, -0.0004329400000000 ] - [ 0.0014601100000000, -0.0007668700000000, 0.0003382000000000 ] - [ -0.0014443600000000, -0.0000643900000000, 0.0014564200000000 ] - [ 0.0006068500000000, -0.0001506900000000, -0.0005477600000000 ] - [ -0.0007077900000000, -0.0000563400000000, -0.0002297400000000 ] - [ -0.0011834600000000, -0.0004326100000000, 0.0011097500000000 ] - [ 0.0003221100000000, 0.0019256500000000, -0.0022737300000000 ] - [ 0.0001647500000000, -0.0002837400000000, -0.0003271200000000 ] - [ -0.0002465900000000, -0.0008004300000000, -0.0015065900000000 ] - [ -0.0000447000000000, -0.0000665400000000, -0.0003229800000000 ] - [ -0.0114684800000000, 0.0070800000000000, -0.0071885300000000 ] - [ 0.0001156700000000, -0.0000863700000000, -0.0005810800000000 ] - [ -0.0003541900000000, -0.0000222300000000, -0.0006073400000000 ] - [ -0.0011919100000000, 0.0017823300000000, 0.0017656200000000 ] - [ 0.0004305000000000, -0.0106569100000000, -0.0015176100000000 ] - [ 0.0001208500000000, -0.0001208700000000, -0.0007523300000000 ] - [ 0.0003359000000000, 0.0001444400000000, -0.0012605800000000 ] - [ 0.0001592100000000, 0.0009260200000000, 0.0011659300000000 ] - [ 0.0010259600000000, -0.0017289600000000, -0.0005481200000000 ] - [ 0.0008060500000000, -0.0008132300000000, 0.0002272600000000 ] - [ -0.0008541100000000, -0.0078228500000000, 0.0003688100000000 ] - [ -0.0002753500000000, 0.0003129500000000, -0.0012116600000000 ] - [ -0.0002319600000000, 0.0032019500000000, -0.0009735100000000 ] - [ 0.0001298300000000, 0.0006678600000000, -0.0010231800000000 ] - [ 0.0000084500000000, 0.0001601800000000, -0.0009262700000000 ] - [ -0.0000565900000000, -0.0007830600000000, 0.0015766500000000 ] - [ -0.0012642100000000, 0.1261011800000000, 0.1018004000000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007615300000000, -0.0002909900000000, -0.0003479100000000 ] - [ 0.0005357800000000, -0.0003594000000000, -0.0004514000000000 ] - [ -0.0001106700000000, -0.0033235800000000, 0.0011317500000000 ] - [ -0.0038203900000000, 0.0047075200000000, -0.0025452300000000 ] - [ 0.0003011200000000, 0.0002066500000000, -0.0009208500000000 ] - [ 0.0000160900000000, 0.0002460500000000, -0.0000943700000000 ] - [ -0.0006305800000000, -0.0002042600000000, 0.0013181800000000 ] - [ 0.0037026400000000, 0.0049242700000000, -0.0066759800000000 ] - [ 0.0002944600000000, 0.0002333500000000, -0.0001570800000000 ] - [ -0.0001760600000000, -0.0003495600000000, -0.0001919300000000 ] - [ -0.0001664100000000, -0.0004205300000000, 0.0002746100000000 ] - [ 0.0002773400000000, 0.0001788600000000, -0.0018201000000000 ] - [ 0.0002258100000000, 0.0001295100000000, -0.0009210000000000 ] - [ -0.0001148000000000, -0.0001096200000000, 0.0001347400000000 ] - [ 0.0000141200000000, -0.0003773500000000, 0.0006540100000000 ] - [ 0.0019160100000000, 0.0009045100000000, 0.0002157400000000 ] - [ 0.0005005200000000, -0.0005509900000000, 0.0000284900000000 ] - [ -0.0004123500000000, -0.0001864200000000, -0.0006179700000000 ] - [ -0.0011065000000000, 0.0004217100000000, 0.0002694400000000 ] - [ 0.0002519300000000, 0.0002419000000000, 0.0007226300000000 ] - [ 0.0001160100000000, -0.0008356100000000, -0.0001696800000000 ] - [ 0.0003622000000000, 0.0001457200000000, -0.0002768100000000 ] - [ 0.0004491500000000, 0.0009221900000000, 0.0006032600000000 ] - [ 0.0010910400000000, -0.0017507400000000, -0.0014663000000000 ] - [ -0.0006440700000000, 0.0001426500000000, 0.0001994700000000 ] - [ 0.0007200700000000, -0.0003803100000000, -0.0000163300000000 ] - [ 0.0001324900000000, -0.0012187700000000, 0.0004269900000000 ] - [ -0.0000764000000000, 0.0005544900000000, -0.0007749400000000 ] - [ -0.0004949600000000, -0.0005060200000000, -0.0006999000000000 ] - [ 0.0001233900000000, -0.0000295000000000, -0.0005980800000000 ] - [ 0.0005145500000000, 0.0005419800000000, 0.0003269100000000 ] - [ -0.0001174600000000, -0.0065015000000000, 0.0019460800000000 ] - [ 0.0000904100000000, -0.0000774500000000, -0.0009269300000000 ] - [ -0.0000809800000000, -0.0022446100000000, 0.0002200600000000 ] - [ 0.0000034700000000, -0.0000233900000000, 0.0001928200000000 ] - [ -0.0002604900000000, 0.0014433900000000, -0.0001560800000000 ] - [ -0.0151425700000000, 0.1598916000000000, 0.1236358200000000 ] - [ 0.0000702500000000, 0.0001955200000000, -0.0001285800000000 ] - [ 0.0000164200000000, -0.0009206200000000, -0.0014927800000000 ] - [ -0.0002529000000000, -0.0004801000000000, 0.0001597900000000 ] - [ -0.0002764500000000, -0.0287701800000000, -0.0114342200000000 ] - [ 0.0001676700000000, 0.0005330100000000, 0.0005309400000000 ] - [ 0.0002140500000000, -0.0002379200000000, -0.0002148700000000 ] - [ -0.0002119700000000, -0.0001324700000000, -0.0004983500000000 ] - [ 0.0000823200000000, 0.0012864200000000, -0.0024745000000000 ] - [ 0.0000097500000000, 0.0003569600000000, -0.0003214400000000 ] - [ -0.0035038800000000, -0.0061018000000000, -0.0023577000000000 ] - [ -0.0001285100000000, -0.0000158400000000, -0.0008447400000000 ] - [ -0.0000509700000000, -0.0001199400000000, 0.0003268700000000 ] - [ 0.0000222000000000, 0.0000872700000000, 0.0001301400000000 ] - [ 0.0000678300000000, -0.0004461600000000, 0.0001419100000000 ] - [ 0.0012436200000000, 0.0014970900000000, -0.0020411000000000 ] - [ 0.0000252800000000, 0.0004303600000000, 0.0002376500000000 ] - [ 0.0001331500000000, 0.0000728300000000, 0.0006807000000000 ] - [ 0.0002655800000000, 0.0000763000000000, 0.0008484900000000 ] - [ 0.0013662700000000, -0.0025731400000000, -0.0012032700000000 ] - [ -0.0001372500000000, 0.0002372100000000, 0.0003010300000000 ] - [ 0.0000762100000000, 0.0001511900000000, 0.0004159300000000 ] - [ -0.0012414100000000, 0.0003634900000000, -0.0003534200000000 ] - [ 0.0012149000000000, -0.0003139200000000, -0.0014388100000000 ] - [ 0.0005388300000000, -0.0001077300000000, -0.0001724500000000 ] - [ -0.0004274300000000, -0.0001989400000000, 0.0009485900000000 ] - [ 0.0000354100000000, 0.0006785800000000, -0.0003902400000000 ] - [ 0.0008152900000000, -0.0016549200000000, 0.0015489900000000 ] - [ 0.0003717900000000, -0.0000404400000000, 0.0008445100000000 ] - [ -0.0002874500000000, 0.0004801500000000, 0.0009797800000000 ] - [ -0.0004892000000000, 0.0003850200000000, -0.0001894100000000 ] - [ 0.0117709600000000, -0.0065207400000000, 0.0075839800000000 ] - [ 0.0003086000000000, -0.0000356700000000, 0.0005237900000000 ] - [ -0.0000690100000000, -0.0001063100000000, 0.0006731500000000 ] - [ 0.0007687200000000, -0.0016547000000000, -0.0017201400000000 ] - [ -0.0000018800000000, 0.0108334700000000, 0.0015051300000000 ] - [ -0.0003899700000000, 0.0003583100000000, 0.0003567000000000 ] - [ -0.0000687700000000, 0.0000987000000000, 0.0016607800000000 ] - [ 0.0001361700000000, -0.0011686300000000, -0.0007605100000000 ] - [ -0.0013011700000000, 0.0014984200000000, 0.0001567700000000 ] - [ -0.0003554100000000, -0.0000046800000000, 0.0007040900000000 ] - [ 0.0003669000000000, 0.0070051700000000, -0.0013552100000000 ] - [ -0.0001678800000000, 0.0005001600000000, 0.0002769200000000 ] - [ 0.0006540400000000, -0.0023722100000000, 0.0019303900000000 ] - [ 0.0000467200000000, 0.0003863000000000, 0.0006287100000000 ] - [ -0.0001894700000000, 0.0008863300000000, 0.0013331300000000 ] - [ -0.0000977000000000, -0.0002705400000000, -0.0011602700000000 ] - [ 0.0013373800000000, -0.1302464100000000, -0.1073489600000000 ]- atom: 37 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ -0.0001578600000000, -0.0003427600000000, 0.0010961900000000 ] - [ 0.0009485500000000, -0.0003596800000000, 0.0010489200000000 ] - [ 0.0009477900000000, 0.0013294600000000, -0.0016922200000000 ] - [ 0.0070212400000000, 0.0027586900000000, 0.0016350800000000 ] - [ -0.0004586600000000, 0.0003360800000000, 0.0008149000000000 ] - [ -0.0005778000000000, -0.0000061700000000, 0.0019738500000000 ] - [ 0.0002468200000000, -0.0004605900000000, -0.0011882600000000 ] - [ -0.0065630200000000, 0.0090452200000000, 0.0171335900000000 ] - [ 0.0001223300000000, -0.0003226000000000, -0.0014298500000000 ] - [ -0.0005077700000000, -0.0003124300000000, 0.0018869800000000 ] - [ -0.0008862500000000, 0.0005007400000000, 0.0003516400000000 ] - [ 0.0009491900000000, 0.0000435600000000, 0.0029475700000000 ] - [ 0.0006889300000000, 0.0000236100000000, 0.0010087700000000 ] - [ -0.0008483500000000, 0.0003422700000000, 0.0008551000000000 ] - [ -0.0009714200000000, -0.0003639700000000, 0.0004757600000000 ] - [ -0.0018272200000000, 0.0000822200000000, -0.0021574200000000 ] - [ 0.0001071800000000, -0.0004807600000000, 0.0004882700000000 ] - [ -0.0005007600000000, -0.0005295500000000, 0.0009556800000000 ] - [ -0.0010531500000000, -0.0001944100000000, -0.0011507400000000 ] - [ 0.0003902800000000, -0.0016278400000000, 0.0013881000000000 ] - [ -0.0007516900000000, 0.0001894700000000, 0.0006585300000000 ] - [ 0.0000512800000000, 0.0000606000000000, 0.0009190200000000 ] - [ -0.0027215800000000, -0.0006888900000000, -0.0025355800000000 ] - [ 0.0003689400000000, 0.0003862900000000, -0.0000145000000000 ] - [ -0.0022061900000000, -0.0013259400000000, 0.0015004100000000 ] - [ 0.0009203300000000, -0.0006043900000000, 0.0009868900000000 ] - [ 0.0010823600000000, 0.0010542600000000, -0.0008603600000000 ] - [ -0.0026308900000000, 0.0002713400000000, 0.0011424700000000 ] - [ -0.0001710400000000, -0.0003353400000000, 0.0012374300000000 ] - [ 0.0005549500000000, -0.0008118600000000, 0.0031555500000000 ] - [ -0.0004791200000000, 0.0003422400000000, -0.0002231900000000 ] - [ -0.0010358700000000, 0.0007693300000000, -0.0036980800000000 ] - [ -0.0003327300000000, 0.0001279800000000, 0.0006167700000000 ] - [ 0.0007837500000000, 0.0014163400000000, -0.0004543500000000 ] - [ -0.0004888700000000, 0.0001076200000000, 0.0014095500000000 ] - [ 0.0009754500000000, -0.0019425000000000, 0.0068400500000000 ] - [ 0.0144255600000000, -0.1093781900000000, -0.1520693200000000 ] - [ 0.0001494300000000, 0.0011390800000000, -0.0014862600000000 ] - [ 0.0005482100000000, 0.0000351700000000, 0.0006170600000000 ] - [ 0.0000752200000000, -0.0010094800000000, 0.0021684700000000 ] - [ 0.0031233500000000, 0.0052422700000000, -0.0072861400000000 ] - [ 0.0005894800000000, -0.0007853800000000, -0.0007823200000000 ] - [ 0.0003040600000000, -0.0005479400000000, 0.0011851100000000 ] - [ -0.0002461600000000, 0.0000237800000000, 0.0007874000000000 ] - [ -0.0004870300000000, 0.0016732000000000, 0.0043817100000000 ] - [ 0.0002095800000000, 0.0008346800000000, 0.0007545600000000 ] - [ 0.0029966900000000, 0.0032061100000000, -0.0003421600000000 ] - [ -0.0007697200000000, 0.0005256100000000, 0.0016775700000000 ] - [ 0.0001589500000000, 0.0001712300000000, -0.0009187500000000 ] - [ -0.0005697300000000, 0.0004748400000000, -0.0002611400000000 ] - [ -0.0004729000000000, 0.0006237200000000, -0.0006915400000000 ] - [ 0.0002215400000000, 0.0017151400000000, 0.0012192000000000 ] - [ 0.0001497900000000, 0.0003188300000000, -0.0009258900000000 ] - [ -0.0006264200000000, 0.0001169300000000, -0.0004963400000000 ] - [ -0.0004923000000000, -0.0012939900000000, -0.0009306400000000 ] - [ -0.0024733400000000, 0.0006790700000000, 0.0032984400000000 ] - [ -0.0000001700000000, 0.0003424500000000, -0.0008992000000000 ] - [ 0.0002877000000000, 0.0000802600000000, -0.0011113500000000 ] - [ 0.0014538800000000, -0.0016318400000000, 0.0017941600000000 ] - [ 0.0015489900000000, 0.0012118100000000, 0.0011836100000000 ] - [ 0.0020860100000000, -0.0001427900000000, -0.0013349200000000 ] - [ -0.0008748600000000, 0.0000856700000000, -0.0012721100000000 ] - [ -0.0006108100000000, 0.0002016700000000, 0.0020076100000000 ] - [ 0.0000479400000000, 0.0037448300000000, -0.0072125700000000 ] - [ 0.0000223900000000, -0.0004287200000000, -0.0013199100000000 ] - [ -0.0009314400000000, -0.0021130800000000, -0.0013742700000000 ] - [ 0.0004324800000000, -0.0003249700000000, -0.0006602200000000 ] - [ 0.0001181700000000, -0.0004765500000000, 0.0052592300000000 ] - [ -0.0000416000000000, -0.0002059200000000, -0.0011965300000000 ] - [ -0.0009164700000000, 0.0004412100000000, -0.0022130700000000 ] - [ -0.0022884700000000, 0.0019957000000000, 0.0043483900000000 ] - [ 0.0001897700000000, -0.0023041200000000, 0.0012424800000000 ] - [ 0.0006786600000000, 0.0003234900000000, -0.0007242200000000 ] - [ 0.0006102900000000, -0.0000319100000000, -0.0037588000000000 ] - [ 0.0022668600000000, 0.0012277800000000, 0.0020250400000000 ] - [ 0.0012515300000000, 0.0012362500000000, -0.0015581500000000 ] - [ 0.0024716200000000, -0.0013921700000000, -0.0006850300000000 ] - [ -0.0011053200000000, -0.0045316400000000, 0.0044846600000000 ] - [ -0.0002088800000000, 0.0003652600000000, -0.0024272300000000 ] - [ 0.0026370800000000, 0.0018892900000000, -0.0067459200000000 ] - [ 0.0002510200000000, 0.0007343800000000, -0.0026577700000000 ] - [ 0.0001453200000000, 0.0004146500000000, -0.0022842800000000 ] - [ -0.0003540100000000, -0.0002508000000000, 0.0029209300000000 ] - [ -0.0169711000000000, 0.0872974500000000, 0.1271478700000000 ]- atom: 37 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ -0.0011503700000000, -0.0003116700000000, -0.0010785200000000 ] - [ 0.0003619100000000, -0.0002941200000000, -0.0010719500000000 ] - [ 0.0003819100000000, -0.0006736800000000, 0.0016857400000000 ] - [ -0.0084658900000000, -0.0021611900000000, -0.0016750500000000 ] - [ 0.0007802600000000, 0.0000709000000000, -0.0018745200000000 ] - [ 0.0002427000000000, 0.0004184100000000, -0.0009261600000000 ] - [ -0.0005756500000000, 0.0000511100000000, 0.0022501100000000 ] - [ 0.0071283600000000, -0.0097162100000000, -0.0186511500000000 ] - [ 0.0006235700000000, 0.0001769300000000, 0.0004799200000000 ] - [ -0.0002403400000000, 0.0001722900000000, -0.0009410900000000 ] - [ 0.0001286000000000, -0.0003502700000000, 0.0005972500000000 ] - [ -0.0002039400000000, 0.0001021600000000, -0.0039107000000000 ] - [ 0.0000201200000000, 0.0001654000000000, -0.0018532600000000 ] - [ 0.0001572500000000, -0.0001771800000000, -0.0000492200000000 ] - [ 0.0002640700000000, 0.0001746300000000, 0.0003676600000000 ] - [ 0.0024694100000000, -0.0002515100000000, 0.0013217400000000 ] - [ 0.0007895700000000, -0.0001601100000000, -0.0000659700000000 ] - [ -0.0003914200000000, -0.0001154300000000, -0.0013841600000000 ] - [ 0.0001484200000000, 0.0008380400000000, 0.0007213600000000 ] - [ 0.0005003500000000, 0.0022818100000000, -0.0009675500000000 ] - [ 0.0005881200000000, -0.0012497200000000, -0.0006399600000000 ] - [ 0.0005847500000000, 0.0002565200000000, -0.0005666700000000 ] - [ 0.0020782500000000, 0.0003775400000000, 0.0021784300000000 ] - [ 0.0002516200000000, -0.0006876900000000, 0.0003908700000000 ] - [ 0.0006469800000000, 0.0004862400000000, -0.0019708000000000 ] - [ 0.0006284400000000, -0.0002377900000000, -0.0005014400000000 ] - [ 0.0004693800000000, -0.0002203800000000, 0.0013391400000000 ] - [ 0.0010882700000000, 0.0005833300000000, -0.0016428600000000 ] - [ -0.0006319400000000, -0.0005552300000000, -0.0015476600000000 ] - [ 0.0002529500000000, -0.0000799800000000, -0.0028524300000000 ] - [ 0.0012886900000000, 0.0005458400000000, 0.0005450700000000 ] - [ 0.0002233800000000, 0.0001206400000000, 0.0033910500000000 ] - [ 0.0005547800000000, -0.0001646700000000, -0.0016050800000000 ] - [ -0.0009727600000000, -0.0014741600000000, 0.0014708800000000 ] - [ 0.0002868400000000, -0.0000669000000000, -0.0004279800000000 ] - [ -0.0007532400000000, 0.0019739700000000, -0.0078214100000000 ] - [ -0.0135889600000000, 0.1147809100000000, 0.1574948900000000 ] - [ 0.0001742200000000, 0.0000836500000000, 0.0001372700000000 ] - [ -0.0002646800000000, -0.0012463900000000, -0.0019938400000000 ] - [ -0.0003938100000000, -0.0002073200000000, -0.0008257100000000 ] - [ -0.0035869400000000, -0.0048815700000000, 0.0070751000000000 ] - [ -0.0001445700000000, 0.0010981600000000, 0.0011193500000000 ] - [ 0.0001400600000000, 0.0002509300000000, -0.0008599700000000 ] - [ -0.0001985400000000, -0.0003357200000000, -0.0011266700000000 ] - [ 0.0003386500000000, -0.0005681300000000, -0.0043160500000000 ] - [ -0.0000379200000000, 0.0002191900000000, -0.0007775200000000 ] - [ -0.0028283100000000, -0.0042684500000000, 0.0002925600000000 ] - [ 0.0001393900000000, -0.0002157300000000, -0.0020425100000000 ] - [ -0.0001505200000000, -0.0002433000000000, 0.0009371700000000 ] - [ 0.0005605300000000, -0.0005445500000000, 0.0002477700000000 ] - [ 0.0004653400000000, -0.0005565100000000, 0.0006727400000000 ] - [ -0.0002153900000000, -0.0016403300000000, -0.0011956800000000 ] - [ -0.0000107500000000, 0.0004589500000000, 0.0007846200000000 ] - [ 0.0004884400000000, 0.0006613000000000, 0.0006464600000000 ] - [ 0.0003534500000000, 0.0005189600000000, 0.0010701100000000 ] - [ 0.0024065300000000, -0.0012471900000000, -0.0033440000000000 ] - [ -0.0002277400000000, 0.0000468200000000, 0.0009198800000000 ] - [ -0.0000584800000000, 0.0003069100000000, 0.0010935800000000 ] - [ -0.0012275200000000, 0.0012535100000000, -0.0018311100000000 ] - [ -0.0017828300000000, -0.0016113800000000, -0.0011785700000000 ] - [ -0.0009332800000000, -0.0001133700000000, 0.0006133900000000 ] - [ -0.0002620400000000, -0.0003451600000000, 0.0019859000000000 ] - [ -0.0005313000000000, 0.0000485900000000, -0.0012850200000000 ] - [ 0.0011037100000000, -0.0035263300000000, 0.0065553000000000 ] - [ 0.0005132700000000, 0.0001080100000000, 0.0018403400000000 ] - [ 0.0003917100000000, 0.0017820500000000, 0.0008563800000000 ] - [ -0.0009711700000000, 0.0006515100000000, 0.0001409300000000 ] - [ 0.0002485100000000, 0.0008709300000000, -0.0049462600000000 ] - [ 0.0004643100000000, 0.0000840800000000, 0.0011407300000000 ] - [ 0.0004915900000000, -0.0005650600000000, 0.0022784600000000 ] - [ 0.0018624100000000, -0.0018890700000000, -0.0043095700000000 ] - [ 0.0002284200000000, 0.0024013400000000, -0.0013281600000000 ] - [ -0.0009539800000000, -0.0000823200000000, 0.0003318100000000 ] - [ -0.0003429200000000, 0.0002778300000000, 0.0041697900000000 ] - [ -0.0019574800000000, -0.0014664900000000, -0.0016124800000000 ] - [ -0.0015164600000000, -0.0014977900000000, 0.0011459400000000 ] - [ -0.0020544300000000, 0.0005761600000000, 0.0016243500000000 ] - [ 0.0006440100000000, 0.0037213400000000, -0.0054029300000000 ] - [ -0.0002357500000000, 0.0004487700000000, 0.0014916100000000 ] - [ -0.0022137000000000, -0.0010749400000000, 0.0076598200000000 ] - [ -0.0000724000000000, 0.0003203800000000, 0.0022611100000000 ] - [ -0.0003269300000000, 0.0006387700000000, 0.0027069100000000 ] - [ 0.0001604400000000, -0.0008063400000000, -0.0025374200000000 ] - [ 0.0163604100000000, -0.0925234700000000, -0.1310943800000000 ]- atom: 41 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ -0.0005943600000000, -0.0003242500000000, 0.0000083200000000 ] - [ 0.0007400100000000, -0.0003328900000000, -0.0000203500000000 ] - [ 0.0047659100000000, 0.0053607500000000, 0.0009941400000000 ] - [ -0.0006705800000000, -0.0108572300000000, 0.0082032700000000 ] - [ 0.0002214600000000, 0.0001626000000000, -0.0006212900000000 ] - [ -0.0001989000000000, 0.0002130100000000, 0.0004944400000000 ] - [ 0.0015429700000000, -0.0005039200000000, 0.0000477400000000 ] - [ -0.0007487600000000, 0.0124347700000000, -0.0121581500000000 ] - [ 0.0012630300000000, -0.0003746200000000, -0.0004435300000000 ] - [ -0.0002417100000000, -0.0000276900000000, 0.0001739700000000 ] - [ -0.0000510700000000, 0.0002559100000000, -0.0000772100000000 ] - [ -0.0001767200000000, 0.0000685000000000, -0.0009378300000000 ] - [ 0.0001663800000000, 0.0000814400000000, -0.0005232500000000 ] - [ -0.0005238900000000, 0.0001457800000000, 0.0003012400000000 ] - [ 0.0001244000000000, -0.0000766500000000, 0.0000961300000000 ] - [ 0.0042708600000000, 0.0008477400000000, 0.0011305600000000 ] - [ 0.0005902300000000, -0.0003411100000000, 0.0000912200000000 ] - [ -0.0004864900000000, -0.0003459900000000, -0.0003200900000000 ] - [ 0.0026084300000000, -0.0004157400000000, -0.0010720900000000 ] - [ -0.0001448100000000, 0.0011871100000000, -0.0001840900000000 ] - [ 0.0005273000000000, -0.0006628000000000, 0.0000245100000000 ] - [ 0.0004646900000000, 0.0002589500000000, 0.0000123000000000 ] - [ 0.0015414600000000, -0.0000586200000000, -0.0010647100000000 ] - [ -0.0011114600000000, -0.0006237600000000, -0.0009634400000000 ] - [ -0.0011026500000000, -0.0008681100000000, -0.0010347200000000 ] - [ 0.0006098100000000, -0.0003841500000000, 0.0003018000000000 ] - [ 0.0019639500000000, -0.0003116100000000, 0.0011069500000000 ] - [ 0.0007434100000000, 0.0001986700000000, -0.0009154400000000 ] - [ -0.0004025500000000, -0.0004276800000000, -0.0001264100000000 ] - [ 0.0001577300000000, -0.0005119900000000, 0.0000717600000000 ] - [ 0.0021084300000000, 0.0007105100000000, 0.0006185900000000 ] - [ 0.0006126000000000, -0.0040492800000000, 0.0019893900000000 ] - [ 0.0009509500000000, 0.0000180600000000, -0.0000843000000000 ] - [ -0.0012671700000000, 0.0000666800000000, 0.0010677500000000 ] - [ 0.0000535600000000, 0.0000598700000000, 0.0006400100000000 ] - [ -0.0005655400000000, 0.0001468900000000, 0.0000754500000000 ] - [ -0.0075749000000000, 0.0006247500000000, 0.0003007500000000 ] - [ 0.0011629400000000, 0.0005400200000000, 0.0003372300000000 ] - [ 0.0001211200000000, -0.0005884900000000, -0.0005785600000000 ] - [ -0.0000816800000000, -0.0005803000000000, 0.0006658800000000 ] - [ -0.0351620800000000, 0.0017749400000000, 0.0013965500000000 ] - [ 0.0014140500000000, -0.0002256800000000, 0.0007116600000000 ] - [ 0.0002062100000000, -0.0001405600000000, 0.0002137300000000 ] - [ -0.0001844500000000, -0.0001547000000000, -0.0002223200000000 ] - [ -0.0003628800000000, 0.0003407000000000, -0.0000175000000000 ] - [ 0.0000391900000000, 0.0005557400000000, 0.0001186500000000 ] - [ 0.0000270300000000, -0.0010559200000000, 0.0006191900000000 ] - [ -0.0003304200000000, 0.0001877100000000, -0.0002614100000000 ] - [ -0.0000823200000000, -0.0000986200000000, 0.0001371600000000 ] - [ -0.0001946700000000, -0.0001033500000000, -0.0003306200000000 ] - [ 0.0002240500000000, 0.0006078600000000, -0.0010273700000000 ] - [ 0.0053235300000000, 0.0007661600000000, -0.0033178700000000 ] - [ -0.0000082200000000, 0.0003976000000000, -0.0000036500000000 ] - [ -0.0001982800000000, 0.0004209000000000, -0.0000553300000000 ] - [ 0.0003613100000000, -0.0009331700000000, -0.0012884500000000 ] - [ 0.0004242200000000, -0.0005260900000000, 0.0003957100000000 ] - [ -0.0000754700000000, 0.0001952600000000, 0.0000688000000000 ] - [ 0.0001478600000000, 0.0001786000000000, 0.0000268900000000 ] - [ -0.0049626600000000, 0.0005364100000000, 0.0017661000000000 ] - [ -0.0011003900000000, -0.0006383400000000, -0.0000171200000000 ] - [ 0.0003095400000000, 0.0000064000000000, -0.0000898200000000 ] - [ -0.0003588800000000, -0.0001097400000000, 0.0005187800000000 ] - [ -0.0023589600000000, -0.0002020400000000, 0.0010100300000000 ] - [ 0.0015889900000000, -0.0010195800000000, 0.0033760400000000 ] - [ 0.0003330900000000, -0.0001495400000000, 0.0000511700000000 ] - [ 0.0000121800000000, -0.0001102000000000, -0.0004357900000000 ] - [ -0.0013777700000000, 0.0002441800000000, -0.0006746200000000 ] - [ 0.0009980300000000, -0.0017963700000000, -0.0007881900000000 ] - [ 0.0001393700000000, -0.0000665300000000, 0.0000373100000000 ] - [ -0.0002123600000000, -0.0001013100000000, 0.0000664700000000 ] - [ -0.0043827200000000, 0.0012747200000000, 0.0007624000000000 ] - [ 0.0039977900000000, 0.0015593300000000, 0.0012980700000000 ] - [ -0.0002930500000000, 0.0000654600000000, 0.0004784900000000 ] - [ 0.0001495300000000, 0.0001214400000000, 0.0005350000000000 ] - [ -0.0049277500000000, 0.0013069400000000, -0.0000436500000000 ] - [ -0.0009432900000000, -0.0000650000000000, 0.0003981700000000 ] - [ -0.0019710700000000, 0.0001834100000000, -0.0000012300000000 ] - [ 0.0004795000000000, 0.0011646900000000, -0.0040952700000000 ] - [ -0.0001844000000000, 0.0003131600000000, -0.0006020800000000 ] - [ 0.0015915700000000, 0.0008911400000000, 0.0005964000000000 ] - [ -0.0000070000000000, 0.0005403100000000, -0.0001410300000000 ] - [ -0.0001272200000000, 0.0005014400000000, 0.0001489000000000 ] - [ -0.0040089100000000, -0.0004017100000000, -0.0016563800000000 ] - [ 0.0346798100000000, -0.0069511800000000, 0.0027100900000000 ]- atom: 41 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ -0.0007306100000000, -0.0003240900000000, -0.0000246000000000 ] - [ 0.0005862500000000, -0.0003138400000000, 0.0000417500000000 ] - [ -0.0034339500000000, -0.0047493300000000, -0.0009725200000000 ] - [ -0.0006291800000000, 0.0115933800000000, -0.0083126000000000 ] - [ 0.0001066600000000, 0.0002554500000000, -0.0004214000000000 ] - [ -0.0001287900000000, 0.0002062200000000, 0.0005433800000000 ] - [ -0.0018689000000000, 0.0000774000000000, 0.0009847200000000 ] - [ 0.0010643000000000, -0.0127675900000000, 0.0110283700000000 ] - [ -0.0005083500000000, 0.0002341000000000, -0.0005061900000000 ] - [ -0.0005145200000000, -0.0001177200000000, 0.0008045900000000 ] - [ -0.0006933300000000, -0.0001168900000000, 0.0010477300000000 ] - [ 0.0009287400000000, 0.0000768200000000, -0.0000272900000000 ] - [ 0.0005579000000000, 0.0001024000000000, -0.0003048900000000 ] - [ -0.0002065700000000, 0.0000472000000000, 0.0005391400000000 ] - [ -0.0008557200000000, -0.0001051800000000, 0.0007208700000000 ] - [ -0.0035288300000000, -0.0010123300000000, -0.0019496700000000 ] - [ 0.0002794600000000, -0.0002858600000000, 0.0003387300000000 ] - [ -0.0003832300000000, -0.0002860500000000, -0.0001090400000000 ] - [ -0.0034900700000000, 0.0010546300000000, 0.0006532400000000 ] - [ 0.0010171500000000, -0.0005502700000000, 0.0006139100000000 ] - [ -0.0006815700000000, -0.0003811700000000, 0.0000085200000000 ] - [ 0.0001842400000000, 0.0000714500000000, 0.0003387200000000 ] - [ -0.0021792300000000, -0.0002660100000000, 0.0007087100000000 ] - [ 0.0017472200000000, 0.0003053300000000, 0.0013330200000000 ] - [ -0.0004300300000000, 0.0000587600000000, 0.0005684200000000 ] - [ 0.0009245900000000, -0.0004284000000000, 0.0001675400000000 ] - [ -0.0004342500000000, 0.0011205700000000, -0.0006278800000000 ] - [ -0.0022829800000000, 0.0006157500000000, 0.0004482600000000 ] - [ -0.0003931100000000, -0.0004650300000000, -0.0001726400000000 ] - [ 0.0006353600000000, -0.0003775400000000, 0.0002308900000000 ] - [ -0.0013121600000000, 0.0001861200000000, -0.0003243200000000 ] - [ -0.0014104500000000, 0.0049109700000000, -0.0022864000000000 ] - [ -0.0007689900000000, -0.0000677400000000, -0.0008973900000000 ] - [ 0.0010726800000000, -0.0001124200000000, -0.0000912500000000 ] - [ -0.0002409700000000, -0.0000075400000000, 0.0003452200000000 ] - [ 0.0007465500000000, -0.0000957900000000, -0.0010609500000000 ] - [ 0.0072586300000000, 0.0005275000000000, 0.0010321200000000 ] - [ -0.0008668100000000, 0.0006502400000000, -0.0016857600000000 ] - [ 0.0001981300000000, -0.0006119100000000, -0.0007606100000000 ] - [ -0.0002201400000000, -0.0006146900000000, 0.0006768600000000 ] - [ 0.0346287100000000, -0.0007468100000000, -0.0025571200000000 ] - [ -0.0009761000000000, 0.0005252900000000, -0.0003912400000000 ] - [ 0.0002311800000000, -0.0001690500000000, 0.0001133600000000 ] - [ -0.0002523800000000, -0.0001587600000000, -0.0001074600000000 ] - [ 0.0001840600000000, 0.0006931000000000, 0.0000348000000000 ] - [ 0.0001243800000000, 0.0004912700000000, -0.0001492000000000 ] - [ 0.0001371300000000, 0.0000013800000000, -0.0006480100000000 ] - [ -0.0003142000000000, 0.0001402000000000, -0.0000913900000000 ] - [ 0.0000987800000000, 0.0000305500000000, -0.0001125300000000 ] - [ 0.0001789200000000, 0.0000324900000000, 0.0003026100000000 ] - [ -0.0002404500000000, -0.0005362200000000, 0.0009979400000000 ] - [ -0.0054147100000000, -0.0007767200000000, 0.0035603900000000 ] - [ 0.0001481900000000, 0.0003850600000000, -0.0001348900000000 ] - [ 0.0000615900000000, 0.0003632900000000, 0.0001945400000000 ] - [ -0.0005009900000000, 0.0001492200000000, 0.0014277800000000 ] - [ -0.0002963200000000, -0.0002527800000000, -0.0005303500000000 ] - [ -0.0001545800000000, 0.0001929500000000, -0.0000512000000000 ] - [ 0.0000823500000000, 0.0002090100000000, -0.0000478600000000 ] - [ 0.0051965900000000, -0.0009236400000000, -0.0017783600000000 ] - [ 0.0008770100000000, 0.0002541600000000, 0.0000395100000000 ] - [ 0.0008404300000000, -0.0002558700000000, -0.0006440800000000 ] - [ -0.0007883700000000, -0.0001435500000000, 0.0001959800000000 ] - [ 0.0012066700000000, 0.0004617400000000, -0.0002851800000000 ] - [ -0.0004456700000000, 0.0012766000000000, -0.0041101700000000 ] - [ 0.0002027200000000, -0.0001749400000000, 0.0004636300000000 ] - [ -0.0005536800000000, -0.0002140900000000, -0.0000847100000000 ] - [ 0.0008438900000000, 0.0000808600000000, 0.0001586600000000 ] - [ -0.0004279100000000, 0.0021011700000000, 0.0013139600000000 ] - [ 0.0002992200000000, -0.0000629700000000, -0.0000990000000000 ] - [ -0.0002251900000000, -0.0000296500000000, -0.0000075900000000 ] - [ 0.0039339700000000, -0.0011480800000000, -0.0006889700000000 ] - [ -0.0035155500000000, -0.0011357100000000, -0.0011478200000000 ] - [ 0.0000461900000000, 0.0001512200000000, -0.0008738500000000 ] - [ 0.0000899400000000, 0.0000942300000000, -0.0001398000000000 ] - [ 0.0051727000000000, -0.0015393900000000, 0.0004237400000000 ] - [ 0.0007196800000000, -0.0001539000000000, -0.0008017200000000 ] - [ 0.0024123900000000, -0.0009986600000000, 0.0009257300000000 ] - [ -0.0009175800000000, -0.0019509000000000, 0.0031793700000000 ] - [ -0.0002509700000000, 0.0004968500000000, -0.0003210800000000 ] - [ -0.0011570300000000, -0.0000857300000000, 0.0003258400000000 ] - [ 0.0002204900000000, 0.0005067600000000, -0.0002519300000000 ] - [ -0.0000870400000000, 0.0005455600000000, 0.0002374400000000 ] - [ 0.0037899300000000, -0.0006281100000000, 0.0020548400000000 ] - [ -0.0343235000000000, 0.0048656400000000, -0.0025339200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006117100000000, -0.0003085300000000, -0.0000118800000000 ] - [ 0.0005666500000000, -0.0003630600000000, -0.0000359400000000 ] - [ 0.0130971600000000, 0.0106614900000000, 0.0027503500000000 ] - [ -0.0101830500000000, 0.0035813700000000, -0.0091265800000000 ] - [ 0.0001432500000000, 0.0001871800000000, -0.0005727400000000 ] - [ -0.0000990200000000, 0.0002053900000000, 0.0005127500000000 ] - [ 0.0012062300000000, -0.0001831500000000, 0.0010471300000000 ] - [ 0.0078974300000000, 0.0052726000000000, -0.0151737900000000 ] - [ 0.0006390100000000, -0.0004027500000000, 0.0001785300000000 ] - [ -0.0009593500000000, 0.0011749000000000, 0.0025485700000000 ] - [ -0.0002589500000000, 0.0003131100000000, -0.0004129200000000 ] - [ 0.0002669200000000, 0.0000673100000000, -0.0023754700000000 ] - [ 0.0002140400000000, 0.0001578400000000, -0.0008800500000000 ] - [ -0.0001574300000000, 0.0001474100000000, 0.0000009800000000 ] - [ -0.0013741100000000, 0.0008583200000000, 0.0011439100000000 ] - [ 0.0026550400000000, -0.0011447400000000, 0.0005512500000000 ] - [ 0.0004153800000000, -0.0007858600000000, -0.0000381500000000 ] - [ -0.0003459400000000, 0.0003459200000000, -0.0004886700000000 ] - [ 0.0003308500000000, -0.0019117000000000, -0.0000736900000000 ] - [ 0.0004013800000000, 0.0052449100000000, -0.0000919700000000 ] - [ -0.0000316400000000, -0.0020440800000000, -0.0002295900000000 ] - [ 0.0004402200000000, 0.0003145900000000, -0.0001894900000000 ] - [ -0.0013867900000000, -0.0000075700000000, 0.0008186600000000 ] - [ -0.0031337100000000, 0.0053683400000000, 0.0107140000000000 ] - [ -0.0011100200000000, -0.0010980900000000, -0.0001504000000000 ] - [ 0.0008722200000000, -0.0002555300000000, 0.0003177200000000 ] - [ -0.0010355400000000, 0.0005935400000000, -0.0015108300000000 ] - [ 0.0006689000000000, 0.0007351800000000, -0.0015964800000000 ] - [ -0.0004519900000000, -0.0004827600000000, -0.0001966800000000 ] - [ 0.0002429000000000, -0.0004873100000000, 0.0004708300000000 ] - [ 0.0003072500000000, 0.0000783000000000, -0.0004836300000000 ] - [ -0.0088483200000000, 0.0141446800000000, -0.0061210400000000 ] - [ -0.0000498300000000, -0.0003114800000000, -0.0013530100000000 ] - [ -0.0001696600000000, 0.0031693700000000, -0.0033472000000000 ] - [ -0.0002445500000000, -0.0000106300000000, 0.0007743500000000 ] - [ 0.0000872800000000, -0.0003731100000000, 0.0013048700000000 ] - [ 0.0014236100000000, 0.0295880300000000, 0.0075177500000000 ] - [ 0.0014444000000000, 0.0002341300000000, 0.0011300500000000 ] - [ 0.0000579200000000, -0.0005271700000000, -0.0011935500000000 ] - [ -0.0002073700000000, -0.0006499400000000, 0.0004507000000000 ] - [ 0.0014312100000000, -0.3088122800000000, 0.0729026700000000 ] - [ 0.0005876600000000, 0.0045653500000000, 0.0021697900000000 ] - [ 0.0002266600000000, -0.0005111800000000, -0.0000225200000000 ] - [ -0.0002148800000000, 0.0000757300000000, -0.0002866200000000 ] - [ -0.0001857400000000, 0.0014489900000000, 0.0009059200000000 ] - [ 0.0001444600000000, 0.0000584500000000, 0.0000599100000000 ] - [ 0.0002255100000000, 0.0043099000000000, -0.0013287400000000 ] - [ -0.0000978600000000, -0.0000586000000000, -0.0006111300000000 ] - [ 0.0000964200000000, -0.0005163900000000, 0.0001519800000000 ] - [ -0.0000049400000000, 0.0005925400000000, 0.0002926800000000 ] - [ 0.0002753500000000, -0.0014722400000000, 0.0008341300000000 ] - [ 0.0008239600000000, 0.0032821000000000, -0.0009079900000000 ] - [ 0.0001878600000000, 0.0007507300000000, -0.0000866700000000 ] - [ -0.0001226800000000, 0.0000055800000000, 0.0000842800000000 ] - [ -0.0004961000000000, 0.0019021800000000, 0.0001285100000000 ] - [ 0.0019302600000000, -0.0035526100000000, -0.0007954000000000 ] - [ -0.0000943100000000, 0.0003983700000000, 0.0001047700000000 ] - [ 0.0001513400000000, -0.0000094000000000, 0.0000370600000000 ] - [ 0.0014832300000000, 0.0030859900000000, -0.0011657800000000 ] - [ -0.0007230000000000, -0.0028104000000000, -0.0005847300000000 ] - [ 0.0006452200000000, 0.0003635200000000, -0.0005001000000000 ] - [ -0.0009730600000000, -0.0008405000000000, -0.0000915900000000 ] - [ 0.0001290800000000, 0.0009740700000000, 0.0011214300000000 ] - [ 0.0010238800000000, -0.0030479900000000, 0.0056553500000000 ] - [ 0.0002514200000000, 0.0003554000000000, 0.0007820600000000 ] - [ -0.0008289500000000, -0.0016273800000000, 0.0011720700000000 ] - [ -0.0004531600000000, 0.0009956700000000, -0.0012749000000000 ] - [ -0.0076183900000000, -0.0007584500000000, -0.0062631700000000 ] - [ 0.0002484600000000, -0.0002163700000000, 0.0001958100000000 ] - [ -0.0003405600000000, 0.0001843200000000, 0.0001230300000000 ] - [ 0.0047382000000000, -0.0030972000000000, -0.0008689000000000 ] - [ 0.0028723700000000, 0.0384583200000000, 0.0228883800000000 ] - [ -0.0004337700000000, 0.0001734900000000, 0.0008576500000000 ] - [ -0.0002476600000000, -0.0002199300000000, 0.0017887500000000 ] - [ -0.0008240600000000, 0.0021315600000000, -0.0015431900000000 ] - [ 0.0030792500000000, -0.0073743900000000, -0.0030090400000000 ] - [ -0.0006087900000000, 0.0012984300000000, 0.0018093700000000 ] - [ 0.0031136800000000, -0.0066782900000000, 0.0095931000000000 ] - [ -0.0000621900000000, 0.0006057800000000, -0.0005957100000000 ] - [ 0.0015060500000000, 0.0007851700000000, -0.0010794400000000 ] - [ 0.0000894400000000, 0.0003148400000000, -0.0000146200000000 ] - [ -0.0000771100000000, 0.0008860600000000, 0.0005052900000000 ] - [ -0.0068101600000000, -0.0023041100000000, -0.0073735600000000 ] - [ -0.0067626000000000, 0.2048087000000000, -0.0823388400000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006814300000000, -0.0003393700000000, 0.0000282700000000 ] - [ 0.0007371200000000, -0.0002885100000000, 0.0000116700000000 ] - [ -0.0118761700000000, -0.0100782900000000, -0.0027686100000000 ] - [ 0.0087215900000000, -0.0029171200000000, 0.0089769800000000 ] - [ 0.0001801400000000, 0.0002264300000000, -0.0004748100000000 ] - [ -0.0002275300000000, 0.0002120200000000, 0.0005364700000000 ] - [ -0.0015410100000000, -0.0002259900000000, -0.0000059300000000 ] - [ -0.0073973500000000, -0.0056404600000000, 0.0138856200000000 ] - [ 0.0001113900000000, 0.0002623300000000, -0.0011256200000000 ] - [ 0.0002111100000000, -0.0013111200000000, -0.0015995000000000 ] - [ -0.0004891500000000, -0.0001717300000000, 0.0013629900000000 ] - [ 0.0004851900000000, 0.0000757600000000, 0.0014186600000000 ] - [ 0.0004901000000000, 0.0000317600000000, 0.0000367600000000 ] - [ -0.0005445500000000, 0.0000516100000000, 0.0008545300000000 ] - [ 0.0006774200000000, -0.0010386100000000, -0.0003007500000000 ] - [ -0.0019632300000000, 0.0009317300000000, -0.0014103000000000 ] - [ 0.0004808900000000, 0.0001440900000000, 0.0004625900000000 ] - [ -0.0005477200000000, -0.0009961000000000, 0.0000655500000000 ] - [ -0.0012013900000000, 0.0025521300000000, -0.0003563700000000 ] - [ 0.0004961300000000, -0.0045837600000000, 0.0005194500000000 ] - [ -0.0001349700000000, 0.0009749500000000, 0.0002600000000000 ] - [ 0.0001790200000000, -0.0000349100000000, 0.0005458800000000 ] - [ 0.0007645900000000, -0.0002691000000000, -0.0011682600000000 ] - [ 0.0037239800000000, -0.0056241000000000, -0.0103638800000000 ] - [ -0.0004412100000000, 0.0002257800000000, -0.0003548200000000 ] - [ 0.0006748200000000, -0.0005903500000000, 0.0001707000000000 ] - [ 0.0025908100000000, 0.0002825900000000, 0.0020072900000000 ] - [ -0.0022137000000000, 0.0001233400000000, 0.0011001000000000 ] - [ -0.0003494300000000, -0.0004072800000000, -0.0000970600000000 ] - [ 0.0005483000000000, -0.0004029800000000, -0.0001765700000000 ] - [ 0.0004896200000000, 0.0008093800000000, 0.0007762000000000 ] - [ 0.0081509600000000, -0.0133706600000000, 0.0058112700000000 ] - [ 0.0002643300000000, 0.0002743100000000, 0.0003603400000000 ] - [ -0.0000611200000000, -0.0032020600000000, 0.0043601400000000 ] - [ 0.0000233300000000, 0.0000525900000000, 0.0002284500000000 ] - [ 0.0001302800000000, 0.0003918100000000, -0.0022833600000000 ] - [ -0.0017324900000000, -0.0275133200000000, -0.0059154600000000 ] - [ -0.0011369600000000, 0.0009891000000000, -0.0024935500000000 ] - [ 0.0002637200000000, -0.0006965200000000, -0.0001568900000000 ] - [ -0.0001074800000000, -0.0005791500000000, 0.0009140300000000 ] - [ -0.0011470700000000, 0.3009067800000000, -0.0651135100000000 ] - [ -0.0001560600000000, -0.0042641400000000, -0.0018604000000000 ] - [ 0.0002079100000000, 0.0001970400000000, 0.0003416600000000 ] - [ -0.0002197400000000, -0.0003845000000000, -0.0000396900000000 ] - [ -0.0000047900000000, -0.0003954300000000, -0.0008792400000000 ] - [ 0.0000240600000000, 0.0009986300000000, -0.0000857100000000 ] - [ -0.0000310700000000, -0.0053479900000000, 0.0013164800000000 ] - [ -0.0005241500000000, 0.0003394300000000, 0.0002731600000000 ] - [ -0.0000852000000000, 0.0004464000000000, -0.0001363900000000 ] - [ -0.0000054700000000, -0.0006613800000000, -0.0003096100000000 ] - [ -0.0002867500000000, 0.0015393600000000, -0.0008502200000000 ] - [ -0.0008250500000000, -0.0032158300000000, 0.0009605800000000 ] - [ -0.0000475000000000, 0.0000279500000000, -0.0000583200000000 ] - [ -0.0000172700000000, 0.0007756900000000, 0.0000574700000000 ] - [ 0.0003495100000000, -0.0026702300000000, 0.0000061100000000 ] - [ -0.0017709800000000, 0.0027639300000000, 0.0006456500000000 ] - [ -0.0001333400000000, -0.0000090700000000, -0.0000867600000000 ] - [ 0.0000773600000000, 0.0003986600000000, -0.0000577800000000 ] - [ -0.0012193400000000, -0.0034776700000000, 0.0011354200000000 ] - [ 0.0004913000000000, 0.0024161800000000, 0.0006089700000000 ] - [ 0.0005007200000000, -0.0006168500000000, -0.0002220600000000 ] - [ -0.0001692700000000, 0.0005847000000000, 0.0008013800000000 ] - [ -0.0012801700000000, -0.0007288500000000, -0.0003925500000000 ] - [ 0.0001271800000000, 0.0032886200000000, -0.0063528600000000 ] - [ 0.0002838600000000, -0.0006773700000000, -0.0002639900000000 ] - [ 0.0002934100000000, 0.0013024400000000, -0.0016997800000000 ] - [ -0.0000808100000000, -0.0006685900000000, 0.0007516200000000 ] - [ 0.0080954700000000, 0.0011439500000000, 0.0067363900000000 ] - [ 0.0001784100000000, 0.0000934700000000, -0.0002591000000000 ] - [ -0.0000865200000000, -0.0003098600000000, -0.0000640100000000 ] - [ -0.0051498000000000, 0.0032223100000000, 0.0009233000000000 ] - [ -0.0026167500000000, -0.0413188200000000, -0.0247562700000000 ] - [ 0.0001675800000000, 0.0000637100000000, -0.0012520400000000 ] - [ 0.0005110700000000, 0.0004621200000000, -0.0013833100000000 ] - [ 0.0010959800000000, -0.0023590000000000, 0.0019364600000000 ] - [ -0.0033103800000000, 0.0070956700000000, 0.0025719600000000 ] - [ 0.0010519700000000, -0.0021134800000000, -0.0008650300000000 ] - [ -0.0035881500000000, 0.0058433800000000, -0.0105201600000000 ] - [ -0.0003772100000000, 0.0002101400000000, -0.0003422600000000 ] - [ -0.0010547600000000, 0.0000545000000000, 0.0020114000000000 ] - [ 0.0000912100000000, 0.0007435500000000, -0.0003941600000000 ] - [ -0.0001010500000000, 0.0001617800000000, -0.0001066300000000 ] - [ 0.0066108300000000, 0.0012310400000000, 0.0077842000000000 ] - [ 0.0063828900000000, -0.1954226000000000, 0.0758474100000000 ]- atom: 41 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ -0.0004847900000000, -0.0003368900000000, 0.0007402100000000 ] - [ 0.0007826700000000, -0.0003282400000000, 0.0008537400000000 ] - [ -0.0018597000000000, -0.0021151400000000, -0.0030312000000000 ] - [ 0.0064793100000000, -0.0030204300000000, -0.0031269900000000 ] - [ -0.0003024100000000, 0.0003893200000000, 0.0005950800000000 ] - [ -0.0004600300000000, 0.0000396100000000, 0.0017093400000000 ] - [ -0.0004566300000000, -0.0005004400000000, -0.0010042400000000 ] - [ -0.0046076000000000, -0.0176918500000000, 0.0094533100000000 ] - [ 0.0000596300000000, 0.0003061100000000, -0.0006105400000000 ] - [ -0.0010227100000000, 0.0002590500000000, 0.0025060800000000 ] - [ -0.0008643900000000, -0.0002946400000000, 0.0010998500000000 ] - [ 0.0008180300000000, 0.0000749000000000, 0.0016925500000000 ] - [ 0.0006884200000000, 0.0000794600000000, 0.0005063900000000 ] - [ -0.0005758100000000, 0.0000157000000000, 0.0010416400000000 ] - [ -0.0017591800000000, 0.0000071100000000, 0.0002955000000000 ] - [ -0.0001222300000000, 0.0000352200000000, -0.0019553000000000 ] - [ 0.0002228800000000, -0.0004188800000000, 0.0006845000000000 ] - [ -0.0004309500000000, -0.0003141600000000, 0.0006360800000000 ] - [ -0.0029643300000000, 0.0010949800000000, -0.0002325400000000 ] - [ 0.0006144600000000, -0.0002805300000000, 0.0009314900000000 ] - [ -0.0007158400000000, -0.0001104500000000, 0.0002833600000000 ] - [ 0.0000028000000000, -0.0000919400000000, 0.0010083000000000 ] - [ -0.0004908400000000, 0.0004434100000000, -0.0015804300000000 ] - [ -0.0014444100000000, 0.0045065700000000, 0.0063828500000000 ] - [ -0.0012953700000000, 0.0005426300000000, 0.0020494500000000 ] - [ 0.0010697400000000, -0.0005626900000000, 0.0008183100000000 ] - [ 0.0014411900000000, -0.0000395800000000, -0.0003594200000000 ] - [ -0.0026351500000000, 0.0006479200000000, 0.0009186300000000 ] - [ -0.0002028600000000, -0.0003824800000000, 0.0009425100000000 ] - [ 0.0007984500000000, -0.0003904300000000, 0.0018417500000000 ] - [ -0.0005760900000000, 0.0004473700000000, -0.0004953400000000 ] - [ 0.0000951000000000, 0.0014174400000000, -0.0038763200000000 ] - [ -0.0004448500000000, 0.0000985000000000, 0.0000022200000000 ] - [ 0.0013859100000000, -0.0024582600000000, 0.0012802900000000 ] - [ -0.0004482400000000, 0.0000389800000000, 0.0010602500000000 ] - [ 0.0003647200000000, 0.0008150200000000, 0.0007701800000000 ] - [ 0.0033741000000000, 0.0102851300000000, -0.0064039700000000 ] - [ -0.0002452900000000, 0.0009523000000000, -0.0020611200000000 ] - [ 0.0004223500000000, -0.0002889500000000, 0.0004470700000000 ] - [ -0.0000413800000000, -0.0009042700000000, 0.0017128700000000 ] - [ 0.0192063100000000, 0.0591136300000000, -0.0992167800000000 ] - [ 0.0001085500000000, -0.0014184700000000, -0.0011963100000000 ] - [ 0.0002623600000000, -0.0003159500000000, 0.0009888700000000 ] - [ -0.0002806400000000, -0.0000393400000000, 0.0005619100000000 ] - [ -0.0001138300000000, 0.0009117100000000, 0.0005993200000000 ] - [ 0.0002756000000000, 0.0006728600000000, 0.0005150800000000 ] - [ 0.0006555300000000, -0.0003860100000000, -0.0006113400000000 ] - [ -0.0006273700000000, 0.0004136800000000, 0.0010970900000000 ] - [ 0.0002292400000000, 0.0000344000000000, -0.0007044200000000 ] - [ -0.0003038200000000, 0.0000112600000000, -0.0005678400000000 ] - [ -0.0004878400000000, 0.0002596500000000, -0.0002279000000000 ] - [ -0.0060561900000000, -0.0012039900000000, 0.0077283900000000 ] - [ 0.0002506300000000, 0.0004340100000000, -0.0007317900000000 ] - [ -0.0002122100000000, 0.0003137000000000, -0.0003025300000000 ] - [ -0.0010052600000000, -0.0004923600000000, -0.0003929600000000 ] - [ 0.0005495600000000, -0.0004783700000000, 0.0001550200000000 ] - [ -0.0000998000000000, 0.0002508100000000, -0.0007287600000000 ] - [ 0.0001438100000000, 0.0001667700000000, -0.0007113000000000 ] - [ 0.0034593900000000, -0.0012196700000000, 0.0014696900000000 ] - [ 0.0006458800000000, 0.0007918000000000, 0.0014584100000000 ] - [ 0.0015842200000000, -0.0004030300000000, -0.0014460000000000 ] - [ -0.0010919500000000, -0.0001659300000000, -0.0011583400000000 ] - [ -0.0001683900000000, 0.0009444100000000, 0.0012962200000000 ] - [ -0.0000700400000000, 0.0013661000000000, -0.0059319500000000 ] - [ 0.0000238500000000, -0.0002979000000000, -0.0007187400000000 ] - [ -0.0003857100000000, -0.0000466500000000, -0.0017193500000000 ] - [ 0.0009087400000000, 0.0000213800000000, -0.0003075900000000 ] - [ -0.0023419200000000, -0.0014291800000000, 0.0003666000000000 ] - [ 0.0000972100000000, -0.0001677800000000, -0.0010469500000000 ] - [ -0.0005311300000000, 0.0001521800000000, -0.0013790900000000 ] - [ -0.0010624900000000, 0.0007188800000000, 0.0028983300000000 ] - [ 0.0003250400000000, 0.0224460100000000, 0.0176753300000000 ] - [ 0.0005011900000000, 0.0005745300000000, -0.0016105700000000 ] - [ 0.0002983600000000, -0.0000678200000000, -0.0024574800000000 ] - [ 0.0017389500000000, -0.0025477900000000, 0.0009169900000000 ] - [ 0.0037151600000000, -0.0021438500000000, -0.0015585200000000 ] - [ 0.0023044200000000, -0.0014043000000000, 0.0003200100000000 ] - [ -0.0030516100000000, 0.0016948900000000, 0.0027810400000000 ] - [ -0.0003755000000000, 0.0004833200000000, -0.0019116000000000 ] - [ -0.0001450200000000, -0.0012150200000000, -0.0025502500000000 ] - [ 0.0003796800000000, 0.0006740800000000, -0.0019781300000000 ] - [ 0.0001333000000000, 0.0004194200000000, -0.0017828600000000 ] - [ 0.0016829200000000, 0.0000569400000000, 0.0043674300000000 ] - [ -0.0152378700000000, -0.0694494700000000, 0.0702272600000000 ]- atom: 41 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ -0.0008199800000000, -0.0003157700000000, -0.0007220500000000 ] - [ 0.0005165800000000, -0.0003217900000000, -0.0008662200000000 ] - [ 0.0031736000000000, 0.0027609300000000, 0.0030046800000000 ] - [ -0.0078079600000000, 0.0036563600000000, 0.0031995900000000 ] - [ 0.0006256100000000, 0.0000220200000000, -0.0016466100000000 ] - [ 0.0001287700000000, 0.0003713900000000, -0.0006580700000000 ] - [ 0.0001332400000000, 0.0000864300000000, 0.0020512900000000 ] - [ 0.0050833100000000, 0.0176077900000000, -0.0106709400000000 ] - [ 0.0006884900000000, -0.0004478200000000, -0.0003350100000000 ] - [ 0.0002766300000000, -0.0004033600000000, -0.0015683000000000 ] - [ 0.0001121000000000, 0.0004364900000000, -0.0001526600000000 ] - [ -0.0000738300000000, 0.0000685700000000, -0.0026440700000000 ] - [ 0.0000255200000000, 0.0001095400000000, -0.0013442100000000 ] - [ -0.0001082700000000, 0.0001577400000000, -0.0002152700000000 ] - [ 0.0010545100000000, -0.0001975700000000, 0.0005439700000000 ] - [ 0.0008211800000000, -0.0002250400000000, 0.0011076100000000 ] - [ 0.0006694300000000, -0.0002203700000000, -0.0002590900000000 ] - [ -0.0004678900000000, -0.0003344400000000, -0.0010593300000000 ] - [ 0.0020554000000000, -0.0004474900000000, -0.0001928900000000 ] - [ 0.0002676200000000, 0.0009166300000000, -0.0005077200000000 ] - [ 0.0005495100000000, -0.0009433300000000, -0.0002624100000000 ] - [ 0.0006299600000000, 0.0003958200000000, -0.0006614700000000 ] - [ -0.0001363700000000, -0.0007411200000000, 0.0012234300000000 ] - [ 0.0020749500000000, -0.0048515700000000, -0.0060850100000000 ] - [ -0.0002603900000000, -0.0013730600000000, -0.0025199600000000 ] - [ 0.0004856500000000, -0.0002829800000000, -0.0003342900000000 ] - [ 0.0001077300000000, 0.0008823700000000, 0.0008410400000000 ] - [ 0.0010941800000000, 0.0001942400000000, -0.0014093500000000 ] - [ -0.0005878300000000, -0.0005027100000000, -0.0012500100000000 ] - [ 0.0000001700000000, -0.0004963800000000, -0.0015295500000000 ] - [ 0.0013813800000000, 0.0004420700000000, 0.0007965600000000 ] - [ -0.0008896100000000, -0.0005303500000000, 0.0035652600000000 ] - [ 0.0006595900000000, -0.0001389900000000, -0.0009839600000000 ] - [ -0.0015788200000000, 0.0023844300000000, -0.0002637300000000 ] - [ 0.0002347000000000, 0.0000007600000000, -0.0000742400000000 ] - [ -0.0001521800000000, -0.0007688300000000, -0.0017519100000000 ] - [ -0.0036867000000000, -0.0090621000000000, 0.0077512700000000 ] - [ 0.0005627000000000, 0.0002660600000000, 0.0007105200000000 ] - [ -0.0001319100000000, -0.0009232500000000, -0.0018139600000000 ] - [ -0.0002702600000000, -0.0003128000000000, -0.0003622800000000 ] - [ -0.0186191200000000, -0.0595665900000000, 0.0981342300000000 ] - [ 0.0003357400000000, 0.0017244900000000, 0.0015249300000000 ] - [ 0.0001781600000000, 0.0000125200000000, -0.0006605300000000 ] - [ -0.0001589600000000, -0.0002741300000000, -0.0008865600000000 ] - [ -0.0000348400000000, 0.0001701800000000, -0.0005657200000000 ] - [ -0.0001035500000000, 0.0003893500000000, -0.0005369100000000 ] - [ -0.0004912800000000, -0.0006656800000000, 0.0005806000000000 ] - [ -0.0000102800000000, -0.0001001100000000, -0.0014507700000000 ] - [ -0.0002198200000000, -0.0001044000000000, 0.0007186600000000 ] - [ 0.0002925000000000, -0.0000796500000000, 0.0005503400000000 ] - [ 0.0004783300000000, -0.0001877800000000, 0.0002014400000000 ] - [ 0.0055902200000000, 0.0010337700000000, -0.0071490900000000 ] - [ -0.0001115500000000, 0.0003454100000000, 0.0005859200000000 ] - [ 0.0000737000000000, 0.0004650100000000, 0.0004480900000000 ] - [ 0.0008688900000000, -0.0002910900000000, 0.0005331600000000 ] - [ -0.0004174000000000, -0.0002955700000000, -0.0002943400000000 ] - [ -0.0001278000000000, 0.0001395000000000, 0.0007454500000000 ] - [ 0.0000846400000000, 0.0002213800000000, 0.0006924400000000 ] - [ -0.0032275100000000, 0.0008339800000000, -0.0015045300000000 ] - [ -0.0008761300000000, -0.0011839100000000, -0.0014453100000000 ] - [ -0.0004336500000000, 0.0001462000000000, 0.0007180500000000 ] - [ -0.0000451500000000, -0.0000891700000000, 0.0018717100000000 ] - [ -0.0009720000000000, -0.0006860400000000, -0.0005703200000000 ] - [ 0.0012174400000000, -0.0011113500000000, 0.0052407700000000 ] - [ 0.0005111200000000, -0.0000265100000000, 0.0012335000000000 ] - [ -0.0001530400000000, -0.0002743600000000, 0.0011991100000000 ] - [ -0.0014466800000000, 0.0003012600000000, -0.0002107300000000 ] - [ 0.0028972900000000, 0.0017367400000000, 0.0001682500000000 ] - [ 0.0003267700000000, 0.0000451000000000, 0.0009881500000000 ] - [ 0.0001070700000000, -0.0002762200000000, 0.0014367100000000 ] - [ 0.0006149500000000, -0.0005923300000000, -0.0028310900000000 ] - [ -0.0001009800000000, -0.0226620000000000, -0.0175490700000000 ] - [ -0.0007761300000000, -0.0003322700000000, 0.0012088100000000 ] - [ -0.0000309000000000, 0.0003099100000000, 0.0028578800000000 ] - [ -0.0014536000000000, 0.0022887700000000, -0.0005206900000000 ] - [ -0.0039916700000000, 0.0019040000000000, 0.0011572800000000 ] - [ -0.0018749800000000, 0.0005856500000000, 0.0006148200000000 ] - [ 0.0025922600000000, -0.0024862400000000, -0.0037105400000000 ] - [ -0.0000750700000000, 0.0003326000000000, 0.0009693900000000 ] - [ 0.0005856700000000, 0.0020141500000000, 0.0034753100000000 ] - [ -0.0002044100000000, 0.0003798900000000, 0.0015736400000000 ] - [ -0.0003116700000000, 0.0006395200000000, 0.0021893100000000 ] - [ -0.0018724800000000, -0.0011070600000000, -0.0039648600000000 ] - [ 0.0149454000000000, 0.0694546200000000, -0.0704174900000000 ]- atom: 49 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ 0.0012529300000000, 0.0006729900000000, 0.0008444000000000 ] - [ 0.0029813200000000, 0.0001833200000000, -0.0010303600000000 ] - [ 0.0002099600000000, 0.0002643100000000, -0.0000782100000000 ] - [ -0.0010395100000000, 0.0003580600000000, 0.0000965900000000 ] - [ -0.0007766500000000, 0.0012033800000000, 0.0007053700000000 ] - [ -0.0003576200000000, 0.0009654500000000, -0.0007093200000000 ] - [ -0.0000113400000000, -0.0002058600000000, 0.0004361300000000 ] - [ 0.0002600200000000, -0.0003429800000000, -0.0001379000000000 ] - [ 0.0004401300000000, -0.0000595800000000, -0.0001740100000000 ] - [ -0.0006402300000000, 0.0017644400000000, 0.0031082900000000 ] - [ -0.0004953100000000, 0.0000216600000000, 0.0007566500000000 ] - [ -0.0006803800000000, -0.0013067200000000, 0.0008572500000000 ] - [ -0.0033916000000000, -0.0012429000000000, -0.0007688500000000 ] - [ -0.0008377100000000, 0.0001054600000000, 0.0005227300000000 ] - [ 0.0016368900000000, 0.0001434300000000, 0.0011254600000000 ] - [ 0.0005298800000000, -0.0001046300000000, -0.0003435700000000 ] - [ 0.0004226600000000, -0.0003213900000000, 0.0004084800000000 ] - [ 0.0062710900000000, 0.0008071500000000, 0.0015287500000000 ] - [ -0.0004410400000000, 0.0003093300000000, -0.0001389800000000 ] - [ 0.0001040200000000, 0.0002351300000000, 0.0017066000000000 ] - [ 0.0007883800000000, -0.0009501100000000, -0.0003373400000000 ] - [ 0.0001823500000000, -0.0002525900000000, 0.0009549200000000 ] - [ -0.0003488600000000, -0.0001317300000000, -0.0001402400000000 ] - [ -0.0001687600000000, 0.0003471600000000, 0.0016493200000000 ] - [ -0.0011387500000000, -0.0005238700000000, -0.0002215300000000 ] - [ -0.0032970000000000, 0.0001554800000000, 0.0003804600000000 ] - [ 0.0009394500000000, 0.0004797500000000, 0.0003194000000000 ] - [ 0.0022534000000000, 0.0002388500000000, -0.0007987900000000 ] - [ -0.0016370800000000, -0.0010055700000000, 0.0005558000000000 ] - [ 0.0001552000000000, -0.0004863400000000, -0.0004490100000000 ] - [ 0.0006887700000000, 0.0002641100000000, -0.0000155400000000 ] - [ -0.0002840500000000, 0.0004269500000000, 0.0001876400000000 ] - [ 0.0001456000000000, 0.0011403900000000, -0.0017348700000000 ] - [ -0.0001780700000000, -0.0000018000000000, 0.0005417100000000 ] - [ 0.0043266800000000, 0.0035222300000000, 0.0016352400000000 ] - [ 0.0001636900000000, -0.0000005400000000, -0.0005392600000000 ] - [ -0.0001864500000000, 0.0006624000000000, 0.0008413400000000 ] - [ -0.0001377000000000, 0.0006262100000000, -0.0014945800000000 ] - [ 0.0002223300000000, -0.0006816200000000, -0.0011843500000000 ] - [ -0.0001206100000000, 0.0006360100000000, 0.0009451000000000 ] - [ -0.0002959900000000, 0.0002463800000000, 0.0000539400000000 ] - [ 0.0000227600000000, 0.0001495900000000, -0.0002931000000000 ] - [ 0.0004374200000000, 0.0001205000000000, -0.0002718100000000 ] - [ 0.0052275400000000, -0.0010215300000000, -0.0039254100000000 ] - [ -0.0002564300000000, 0.0005337200000000, -0.0000739700000000 ] - [ -0.0017684100000000, -0.0006596200000000, -0.0001461000000000 ] - [ 0.0001822200000000, -0.0005684300000000, 0.0000766800000000 ] - [ -0.0002687600000000, -0.0017097100000000, -0.0011414400000000 ] - [ -0.0323969800000000, -0.0079254300000000, 0.0049828500000000 ] - [ -0.0001797300000000, -0.0001384400000000, -0.0000519600000000 ] - [ 0.0014179200000000, -0.0001427600000000, 0.0003210900000000 ] - [ 0.0000985500000000, 0.0000563900000000, -0.0000614400000000 ] - [ -0.0016621400000000, 0.0001477800000000, 0.0000105400000000 ] - [ -0.0003365200000000, 0.0004790800000000, -0.0000963900000000 ] - [ 0.0007014800000000, -0.0003090300000000, 0.0001543000000000 ] - [ 0.0001621800000000, -0.0004171900000000, -0.0001122600000000 ] - [ 0.0005549700000000, 0.0002905700000000, 0.0000245000000000 ] - [ 0.0013515500000000, 0.0000687900000000, 0.0001484700000000 ] - [ -0.0000927900000000, -0.0002669800000000, -0.0000554100000000 ] - [ -0.0003742500000000, -0.0001062200000000, -0.0000928400000000 ] - [ 0.0007121400000000, -0.0002691000000000, -0.0010200600000000 ] - [ 0.0078109800000000, -0.0039642400000000, 0.0013838300000000 ] - [ -0.0007170600000000, 0.0001599000000000, 0.0002745600000000 ] - [ -0.0002463800000000, 0.0016395800000000, -0.0026798000000000 ] - [ 0.0024067000000000, -0.0004114500000000, -0.0001829100000000 ] - [ 0.0001247300000000, -0.0002190500000000, -0.0001221600000000 ] - [ -0.0019083700000000, 0.0014673300000000, 0.0026325800000000 ] - [ 0.0001436500000000, 0.0001924400000000, 0.0001608400000000 ] - [ -0.0009490100000000, 0.0025066100000000, -0.0036684800000000 ] - [ -0.0011675700000000, -0.0000200600000000, 0.0015741600000000 ] - [ 0.0000595100000000, -0.0000721200000000, 0.0001984000000000 ] - [ 0.0004978400000000, 0.0001230200000000, -0.0007591500000000 ] - [ 0.0004960700000000, 0.0004332000000000, -0.0007007100000000 ] - [ 0.0064617200000000, 0.0073691600000000, 0.0001750500000000 ] - [ 0.0000251700000000, -0.0001418400000000, -0.0000777800000000 ] - [ -0.0002104100000000, -0.0018296900000000, -0.0070806300000000 ] - [ -0.0017072600000000, -0.0015135400000000, 0.0029350900000000 ] - [ -0.0003542000000000, -0.0004527400000000, -0.0007707400000000 ] - [ 0.0082708100000000, 0.0033970800000000, -0.0012940800000000 ] - [ 0.0005317100000000, 0.0005474400000000, 0.0009503400000000 ] - [ -0.0005531000000000, -0.0040969600000000, -0.0037217200000000 ] - [ -0.0006483100000000, -0.0003958200000000, 0.0021922700000000 ] - [ 0.0001006800000000, -0.0006077100000000, 0.0009416100000000 ] - [ 0.0004893500000000, -0.0005843000000000, -0.0006017100000000 ]- atom: 49 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ -0.0025614000000000, -0.0013221800000000, -0.0008506000000000 ] - [ -0.0016928500000000, -0.0008267200000000, 0.0010100100000000 ] - [ 0.0011043500000000, 0.0003862600000000, 0.0000828500000000 ] - [ -0.0002733200000000, 0.0002977600000000, -0.0000985800000000 ] - [ 0.0011185000000000, -0.0007941300000000, -0.0017632300000000 ] - [ 0.0000173800000000, -0.0005559200000000, 0.0017720100000000 ] - [ -0.0003260600000000, -0.0002094200000000, 0.0006180400000000 ] - [ 0.0000768000000000, -0.0000699000000000, -0.0009138700000000 ] - [ 0.0003108200000000, -0.0000804800000000, -0.0007690700000000 ] - [ -0.0001621800000000, -0.0018807100000000, -0.0021652600000000 ] - [ -0.0002528700000000, 0.0001177400000000, 0.0001798700000000 ] - [ 0.0014344700000000, 0.0014557800000000, -0.0018039800000000 ] - [ 0.0040877100000000, 0.0014163000000000, -0.0000520500000000 ] - [ 0.0001265500000000, 0.0000819800000000, 0.0003137900000000 ] - [ -0.0023461000000000, -0.0003222600000000, -0.0002875400000000 ] - [ 0.0001735700000000, -0.0000742800000000, -0.0004847200000000 ] - [ 0.0004678300000000, -0.0003135700000000, 0.0000097300000000 ] - [ -0.0077561900000000, -0.0016675600000000, -0.0020962700000000 ] - [ -0.0004520800000000, 0.0003233800000000, -0.0002792900000000 ] - [ 0.0007840400000000, 0.0003872200000000, -0.0012957500000000 ] - [ -0.0009446200000000, -0.0001218200000000, 0.0003666700000000 ] - [ 0.0004566500000000, 0.0005626900000000, -0.0006048800000000 ] - [ -0.0002916200000000, -0.0001802300000000, -0.0002141000000000 ] - [ 0.0008085300000000, -0.0006581900000000, -0.0012976600000000 ] - [ -0.0004124100000000, -0.0003165900000000, -0.0002580100000000 ] - [ 0.0048529700000000, -0.0010067100000000, 0.0000971500000000 ] - [ 0.0006139200000000, 0.0003540800000000, 0.0001568100000000 ] - [ -0.0037990600000000, 0.0006230300000000, 0.0002852500000000 ] - [ 0.0008472700000000, 0.0001074300000000, -0.0008670300000000 ] - [ 0.0006295300000000, -0.0004006800000000, 0.0007623800000000 ] - [ 0.0001163700000000, 0.0006280900000000, 0.0003324900000000 ] - [ -0.0005045500000000, 0.0004650800000000, -0.0004968600000000 ] - [ 0.0000645300000000, -0.0011780200000000, 0.0007247400000000 ] - [ -0.0000256700000000, -0.0000378000000000, 0.0004409600000000 ] - [ -0.0043285700000000, -0.0032229000000000, -0.0005652800000000 ] - [ 0.0000463000000000, 0.0000486600000000, -0.0004655400000000 ] - [ -0.0001056800000000, 0.0005479000000000, 0.0005260800000000 ] - [ 0.0004376100000000, 0.0005760700000000, 0.0001373600000000 ] - [ 0.0000816900000000, -0.0005288300000000, -0.0001728600000000 ] - [ -0.0001654900000000, -0.0018405400000000, 0.0004179800000000 ] - [ -0.0001320400000000, 0.0000558700000000, -0.0003735400000000 ] - [ 0.0004100400000000, 0.0001497800000000, 0.0006160100000000 ] - [ -0.0000126500000000, -0.0004343700000000, 0.0005937900000000 ] - [ -0.0055255900000000, 0.0006248400000000, 0.0033604100000000 ] - [ 0.0000853300000000, 0.0005194800000000, 0.0000967500000000 ] - [ 0.0019410500000000, 0.0017361100000000, 0.0001159900000000 ] - [ -0.0000197900000000, -0.0004979400000000, -0.0001068600000000 ] - [ -0.0003757200000000, 0.0020287600000000, 0.0008049500000000 ] - [ 0.0327910000000000, 0.0077729500000000, -0.0045924500000000 ] - [ 0.0001691700000000, 0.0000694400000000, 0.0000330200000000 ] - [ -0.0014256000000000, 0.0002076900000000, -0.0003374300000000 ] - [ -0.0000853200000000, 0.0000141600000000, 0.0000805000000000 ] - [ 0.0018062300000000, 0.0006221900000000, -0.0001509500000000 ] - [ 0.0002003200000000, 0.0003011800000000, 0.0002403200000000 ] - [ -0.0008387500000000, -0.0004713000000000, -0.0000098200000000 ] - [ -0.0000255000000000, -0.0003611600000000, -0.0000285100000000 ] - [ -0.0007841800000000, 0.0001008000000000, -0.0000064900000000 ] - [ -0.0011239300000000, 0.0003192500000000, -0.0001725000000000 ] - [ 0.0003232600000000, -0.0001231600000000, 0.0000350500000000 ] - [ 0.0001463300000000, -0.0002828700000000, 0.0001106700000000 ] - [ 0.0004389400000000, 0.0000180800000000, 0.0002963600000000 ] - [ -0.0090369600000000, 0.0037575800000000, -0.0006807900000000 ] - [ -0.0004319700000000, 0.0000929600000000, 0.0004518600000000 ] - [ 0.0014075300000000, -0.0013926000000000, 0.0019768100000000 ] - [ -0.0018697100000000, 0.0000769900000000, 0.0006938200000000 ] - [ -0.0006577200000000, -0.0001037500000000, -0.0003944900000000 ] - [ 0.0013637300000000, -0.0011440500000000, -0.0031552000000000 ] - [ 0.0003947100000000, 0.0001298400000000, 0.0003565800000000 ] - [ 0.0013595600000000, -0.0026373500000000, 0.0036022100000000 ] - [ 0.0007398000000000, -0.0001084700000000, -0.0015181600000000 ] - [ -0.0004951900000000, 0.0001962100000000, -0.0001385600000000 ] - [ -0.0000649200000000, 0.0000073700000000, 0.0006995100000000 ] - [ -0.0007661500000000, -0.0001964100000000, 0.0003119200000000 ] - [ -0.0062387100000000, -0.0071529000000000, 0.0002043700000000 ] - [ 0.0002419800000000, -0.0000919600000000, 0.0004725100000000 ] - [ -0.0000278500000000, 0.0016170400000000, 0.0066958800000000 ] - [ 0.0021006700000000, 0.0007105500000000, -0.0020009600000000 ] - [ -0.0000873100000000, -0.0003600100000000, -0.0001631600000000 ] - [ -0.0087040800000000, -0.0025166200000000, 0.0003774500000000 ] - [ -0.0000933000000000, 0.0002672700000000, -0.0000189500000000 ] - [ 0.0007431600000000, 0.0051707200000000, 0.0033225900000000 ] - [ 0.0004913900000000, 0.0014512300000000, -0.0017955600000000 ] - [ -0.0002892000000000, -0.0004399600000000, -0.0005384600000000 ] - [ -0.0002986900000000, -0.0004734700000000, 0.0002017600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009700700000000, -0.0007686300000000, -0.0008876800000000 ] - [ 0.0019268100000000, -0.0005140700000000, 0.0032494400000000 ] - [ 0.0007095000000000, 0.0004601600000000, -0.0001322600000000 ] - [ -0.0005818900000000, 0.0002992800000000, 0.0001787300000000 ] - [ 0.0007579700000000, -0.0000556500000000, -0.0013942400000000 ] - [ 0.0005360200000000, 0.0003637400000000, 0.0009447500000000 ] - [ -0.0001860200000000, -0.0001456500000000, 0.0003489200000000 ] - [ -0.0003418400000000, -0.0003916100000000, 0.0002163400000000 ] - [ 0.0003750500000000, -0.0000921200000000, -0.0005714100000000 ] - [ 0.0021858100000000, 0.0003554400000000, -0.0020151100000000 ] - [ -0.0003059100000000, 0.0000319600000000, 0.0005354200000000 ] - [ -0.0002656900000000, -0.0003760000000000, -0.0000914400000000 ] - [ -0.0001425000000000, -0.0003063300000000, -0.0005790900000000 ] - [ -0.0001968000000000, 0.0000718200000000, 0.0006281100000000 ] - [ -0.0002275300000000, -0.0000727100000000, -0.0011443000000000 ] - [ 0.0003104400000000, -0.0001082200000000, -0.0003294500000000 ] - [ 0.0004420700000000, -0.0006423400000000, 0.0002631200000000 ] - [ 0.0004497100000000, 0.0029110700000000, 0.0002439800000000 ] - [ -0.0004237700000000, 0.0001391000000000, -0.0001741500000000 ] - [ 0.0006471300000000, 0.0024642300000000, -0.0004199800000000 ] - [ 0.0001043100000000, -0.0038464600000000, -0.0000278400000000 ] - [ 0.0001682900000000, 0.0005054400000000, 0.0003457000000000 ] - [ -0.0002920800000000, -0.0000772600000000, -0.0000304100000000 ] - [ 0.0009986600000000, -0.0005539900000000, -0.0013095700000000 ] - [ -0.0006910200000000, -0.0004925600000000, -0.0003712600000000 ] - [ -0.0006744700000000, 0.0005729200000000, 0.0005567600000000 ] - [ 0.0007145100000000, 0.0003743000000000, 0.0002333100000000 ] - [ -0.0006940300000000, 0.0044135700000000, -0.0038822800000000 ] - [ -0.0012481900000000, -0.0005050600000000, 0.0010272200000000 ] - [ 0.0003367000000000, -0.0004728300000000, -0.0002542700000000 ] - [ 0.0011081900000000, -0.0002915700000000, 0.0016935100000000 ] - [ -0.0004202000000000, 0.0004856300000000, -0.0003872700000000 ] - [ 0.0012697900000000, -0.0012410800000000, 0.0000901900000000 ] - [ -0.0001127100000000, -0.0000145200000000, 0.0005678000000000 ] - [ 0.0038313800000000, 0.0064254700000000, 0.0023229700000000 ] - [ 0.0001049600000000, 0.0000172600000000, -0.0005831600000000 ] - [ -0.0001937500000000, 0.0006929000000000, 0.0009022200000000 ] - [ -0.0000853000000000, 0.0004846300000000, -0.0014034400000000 ] - [ 0.0008225400000000, -0.0001273200000000, 0.0003732700000000 ] - [ 0.0010050200000000, -0.0020717900000000, -0.0005702300000000 ] - [ -0.0002665500000000, -0.0003266900000000, -0.0001077500000000 ] - [ 0.0002724200000000, 0.0007885900000000, 0.0001392800000000 ] - [ 0.0007790100000000, -0.0016589500000000, 0.0007410700000000 ] - [ -0.0009674100000000, 0.0030952300000000, 0.0006739200000000 ] - [ -0.0000257800000000, 0.0008283900000000, -0.0000203700000000 ] - [ -0.0009196900000000, -0.0018578800000000, 0.0001431500000000 ] - [ 0.0000539300000000, -0.0003547400000000, -0.0000004800000000 ] - [ -0.0010868400000000, -0.0009920500000000, -0.0007107800000000 ] - [ -0.0079679300000000, -0.0241751800000000, 0.0010579800000000 ] - [ 0.0000963500000000, 0.0002247200000000, -0.0000259300000000 ] - [ -0.0001824400000000, -0.0006986400000000, -0.0000810000000000 ] - [ -0.0000144600000000, 0.0001266200000000, 0.0000092000000000 ] - [ -0.0001222200000000, 0.0051079600000000, -0.0003032700000000 ] - [ 0.0000444100000000, 0.0000716800000000, 0.0001888900000000 ] - [ -0.0002183400000000, 0.0003118700000000, 0.0000647800000000 ] - [ 0.0000521100000000, -0.0004939400000000, -0.0000753800000000 ] - [ -0.0001842200000000, 0.0007649100000000, -0.0000402600000000 ] - [ -0.0000621200000000, -0.0003507800000000, 0.0001512800000000 ] - [ 0.0002356100000000, 0.0002067600000000, -0.0000430300000000 ] - [ -0.0000260300000000, -0.0007203500000000, -0.0001267700000000 ] - [ 0.0005201600000000, 0.0002386700000000, 0.0001015700000000 ] - [ -0.0033277900000000, -0.0029376400000000, -0.0010144000000000 ] - [ -0.0005424800000000, 0.0002806100000000, 0.0004047700000000 ] - [ 0.0033370000000000, -0.0004244300000000, -0.0026915200000000 ] - [ -0.0013022400000000, 0.0019675200000000, 0.0001507300000000 ] - [ -0.0006111100000000, -0.0002880300000000, -0.0005938200000000 ] - [ 0.0002370100000000, 0.0031639300000000, 0.0026527200000000 ] - [ 0.0002635000000000, 0.0000240400000000, 0.0001749000000000 ] - [ 0.0024288400000000, -0.0025849000000000, -0.0028162300000000 ] - [ 0.0003971000000000, 0.0011355700000000, 0.0011946100000000 ] - [ -0.0006780700000000, -0.0004510500000000, -0.0003682800000000 ] - [ 0.0001170900000000, 0.0001715500000000, 0.0005784000000000 ] - [ -0.0003108300000000, 0.0003325700000000, -0.0005589900000000 ] - [ 0.0038289800000000, 0.0026068800000000, 0.0004802600000000 ] - [ 0.0000844100000000, 0.0000272900000000, 0.0001075200000000 ] - [ -0.0026547400000000, -0.0012697900000000, 0.0060866100000000 ] - [ -0.0025279300000000, 0.0057722100000000, -0.0036772900000000 ] - [ -0.0000892300000000, -0.0004627200000000, -0.0003607900000000 ] - [ 0.0057888700000000, 0.0023252200000000, -0.0024647800000000 ] - [ 0.0001746400000000, 0.0002393500000000, 0.0008364500000000 ] - [ -0.0022371400000000, 0.0025944600000000, 0.0047856900000000 ] - [ -0.0035060500000000, 0.0012111700000000, -0.0026435200000000 ] - [ -0.0000742400000000, -0.0012391000000000, 0.0005618400000000 ] - [ 0.0004433100000000, -0.0002320600000000, -0.0007238600000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003525800000000, 0.0001090900000000, 0.0008797000000000 ] - [ -0.0006212500000000, -0.0000983200000000, -0.0032609200000000 ] - [ 0.0006043700000000, 0.0001933700000000, 0.0001323500000000 ] - [ -0.0007263400000000, 0.0003456100000000, -0.0001929100000000 ] - [ -0.0004164700000000, 0.0004576200000000, 0.0003296300000000 ] - [ -0.0008689000000000, 0.0000580000000000, 0.0001012800000000 ] - [ -0.0001500100000000, -0.0002679200000000, 0.0007062100000000 ] - [ 0.0006855100000000, -0.0000296400000000, -0.0012616500000000 ] - [ 0.0003776300000000, -0.0000492200000000, -0.0003588600000000 ] - [ -0.0029623400000000, -0.0004213900000000, 0.0029689700000000 ] - [ -0.0004494000000000, 0.0001121400000000, 0.0004089000000000 ] - [ 0.0010105200000000, 0.0005041700000000, -0.0008412500000000 ] - [ 0.0008340500000000, 0.0004823400000000, -0.0002602800000000 ] - [ -0.0005116500000000, 0.0001112700000000, 0.0002034700000000 ] - [ -0.0004765600000000, -0.0001144500000000, 0.0019892400000000 ] - [ 0.0003930200000000, -0.0000754600000000, -0.0005053700000000 ] - [ 0.0004531700000000, 0.0000134800000000, 0.0001578100000000 ] - [ -0.0013802800000000, -0.0035547600000000, -0.0006713200000000 ] - [ -0.0004724500000000, 0.0004923300000000, -0.0002430800000000 ] - [ 0.0002401500000000, -0.0018235000000000, 0.0008390400000000 ] - [ -0.0002830800000000, 0.0027876800000000, 0.0000366500000000 ] - [ 0.0004696500000000, -0.0001966300000000, 0.0000015200000000 ] - [ -0.0003446100000000, -0.0002244300000000, -0.0003099000000000 ] - [ -0.0003690900000000, 0.0002603100000000, 0.0016642200000000 ] - [ -0.0008671200000000, -0.0003408900000000, -0.0001040700000000 ] - [ 0.0022195900000000, -0.0014086800000000, -0.0000774700000000 ] - [ 0.0008448100000000, 0.0004680200000000, 0.0002448500000000 ] - [ -0.0008466000000000, -0.0037076700000000, 0.0036411300000000 ] - [ 0.0004549100000000, -0.0003815900000000, -0.0013360700000000 ] - [ 0.0004562100000000, -0.0004192200000000, 0.0005609600000000 ] - [ -0.0003191400000000, 0.0011728400000000, -0.0013820000000000 ] - [ -0.0003713300000000, 0.0004071000000000, 0.0000799200000000 ] - [ -0.0010582200000000, 0.0011958500000000, -0.0010905300000000 ] - [ -0.0001034400000000, -0.0000259100000000, 0.0004284400000000 ] - [ -0.0037370600000000, -0.0061111600000000, -0.0012432500000000 ] - [ 0.0000998300000000, 0.0000289300000000, -0.0004109100000000 ] - [ -0.0001065000000000, 0.0005197200000000, 0.0004676900000000 ] - [ 0.0003972900000000, 0.0007355000000000, 0.0000441300000000 ] - [ -0.0005192600000000, -0.0010803800000000, -0.0017300900000000 ] - [ -0.0013251800000000, 0.0008562200000000, 0.0019572200000000 ] - [ -0.0001612200000000, 0.0006256300000000, -0.0002125800000000 ] - [ 0.0001546000000000, -0.0004724700000000, 0.0001768500000000 ] - [ -0.0003476300000000, 0.0013576100000000, -0.0004130900000000 ] - [ 0.0005553200000000, -0.0034047600000000, -0.0010264400000000 ] - [ -0.0001362500000000, 0.0002242300000000, 0.0000521500000000 ] - [ 0.0010940400000000, 0.0029306700000000, -0.0001726900000000 ] - [ 0.0001178100000000, -0.0007118400000000, -0.0000240100000000 ] - [ 0.0004684400000000, 0.0012898900000000, 0.0003574400000000 ] - [ 0.0077263700000000, 0.0237903200000000, -0.0013947500000000 ] - [ -0.0001078900000000, -0.0002897000000000, 0.0000017400000000 ] - [ 0.0001704100000000, 0.0007656500000000, 0.0000566700000000 ] - [ 0.0000264100000000, -0.0000574000000000, 0.0000091300000000 ] - [ 0.0002550100000000, -0.0042914400000000, 0.0001575800000000 ] - [ -0.0001818000000000, 0.0007087600000000, -0.0000453900000000 ] - [ 0.0000798800000000, -0.0010917400000000, 0.0000780400000000 ] - [ 0.0000867900000000, -0.0002860500000000, -0.0000668900000000 ] - [ -0.0000447500000000, -0.0003743400000000, 0.0000596400000000 ] - [ 0.0002901500000000, 0.0007393800000000, -0.0001680600000000 ] - [ -0.0000071700000000, -0.0005953900000000, 0.0000227900000000 ] - [ -0.0002028200000000, 0.0003310200000000, 0.0001448900000000 ] - [ 0.0006309300000000, -0.0004905100000000, -0.0008259400000000 ] - [ 0.0021899900000000, 0.0026565600000000, 0.0017319200000000 ] - [ -0.0006088600000000, -0.0000280600000000, 0.0003210300000000 ] - [ -0.0021927800000000, 0.0006852100000000, 0.0019788500000000 ] - [ 0.0018565400000000, -0.0022946200000000, 0.0003694600000000 ] - [ 0.0000757400000000, -0.0000316300000000, 0.0000760500000000 ] - [ -0.0007617500000000, -0.0028391800000000, -0.0031542700000000 ] - [ 0.0002733200000000, 0.0003004500000000, 0.0003396300000000 ] - [ -0.0019952100000000, 0.0024300800000000, 0.0027587800000000 ] - [ -0.0008302500000000, -0.0012600800000000, -0.0011394200000000 ] - [ 0.0002451000000000, 0.0005777900000000, 0.0004255600000000 ] - [ 0.0003144700000000, -0.0000423800000000, -0.0006389900000000 ] - [ 0.0000454200000000, -0.0000995100000000, 0.0001685100000000 ] - [ -0.0035988500000000, -0.0023316200000000, -0.0000777000000000 ] - [ 0.0001814400000000, -0.0002627700000000, 0.0002811900000000 ] - [ 0.0023937000000000, 0.0010171300000000, -0.0064799100000000 ] - [ 0.0029548300000000, -0.0065787500000000, 0.0046586900000000 ] - [ -0.0003545300000000, -0.0003515800000000, -0.0005747500000000 ] - [ -0.0062249700000000, -0.0015102700000000, 0.0015509700000000 ] - [ 0.0002704800000000, 0.0005753300000000, 0.0000957600000000 ] - [ 0.0024508000000000, -0.0014887900000000, -0.0052212300000000 ] - [ 0.0033070500000000, -0.0001636400000000, 0.0030437200000000 ] - [ -0.0001142900000000, 0.0001817900000000, -0.0001632700000000 ] - [ -0.0002458500000000, -0.0008193200000000, 0.0003189000000000 ]- atom: 49 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ -0.0019704000000000, -0.0020337500000000, -0.0012621400000000 ] - [ -0.0022552000000000, 0.0017099100000000, -0.0012986700000000 ] - [ 0.0007249500000000, 0.0002820700000000, -0.0006354900000000 ] - [ -0.0005543900000000, 0.0003445300000000, -0.0004423300000000 ] - [ 0.0015956000000000, -0.0014377500000000, -0.0024416000000000 ] - [ -0.0013451500000000, -0.0001513100000000, 0.0019960800000000 ] - [ -0.0001131100000000, -0.0003948300000000, -0.0003892100000000 ] - [ 0.0008260300000000, 0.0001492700000000, -0.0018281900000000 ] - [ 0.0002824100000000, -0.0000619800000000, -0.0019062100000000 ] - [ 0.0015508600000000, -0.0020078200000000, 0.0014462200000000 ] - [ -0.0002986400000000, 0.0001828800000000, -0.0009506100000000 ] - [ 0.0013651100000000, 0.0005382300000000, 0.0013619800000000 ] - [ 0.0019605500000000, 0.0003124300000000, 0.0006902200000000 ] - [ -0.0000386700000000, 0.0001405800000000, -0.0000262100000000 ] - [ -0.0003920800000000, -0.0015073500000000, -0.0010701500000000 ] - [ 0.0001983400000000, -0.0001098300000000, -0.0011592000000000 ] - [ 0.0005857800000000, -0.0002010000000000, -0.0004582700000000 ] - [ -0.0023571500000000, -0.0004090800000000, 0.0017877700000000 ] - [ -0.0004441600000000, 0.0003567500000000, -0.0008683200000000 ] - [ 0.0017212200000000, 0.0001670700000000, -0.0008028600000000 ] - [ -0.0011090100000000, 0.0015011900000000, 0.0006974000000000 ] - [ 0.0010703500000000, 0.0008523200000000, -0.0015302600000000 ] - [ -0.0000935300000000, 0.0000268700000000, -0.0011778100000000 ] - [ 0.0012591400000000, -0.0009438000000000, -0.0010340200000000 ] - [ -0.0004965500000000, -0.0004163900000000, -0.0007900900000000 ] - [ 0.0022776900000000, -0.0006215700000000, 0.0014442700000000 ] - [ 0.0006712100000000, 0.0002955600000000, -0.0004495000000000 ] - [ -0.0025413300000000, -0.0036365900000000, 0.0076371100000000 ] - [ 0.0009953200000000, 0.0005123200000000, 0.0019158300000000 ] - [ 0.0002970300000000, -0.0003831400000000, -0.0001080200000000 ] - [ -0.0008214200000000, 0.0010268500000000, -0.0013397200000000 ] - [ -0.0005593000000000, 0.0005033100000000, -0.0015355100000000 ] - [ -0.0018196600000000, 0.0003942900000000, 0.0012007100000000 ] - [ 0.0002488700000000, 0.0000306100000000, -0.0005173700000000 ] - [ -0.0019674600000000, -0.0000186200000000, 0.0036892700000000 ] - [ 0.0002738400000000, 0.0001171100000000, -0.0013098400000000 ] - [ -0.0002060000000000, 0.0002977600000000, -0.0003745500000000 ] - [ -0.0000351300000000, 0.0007187400000000, -0.0007166500000000 ] - [ -0.0008553600000000, -0.0006954100000000, -0.0016645000000000 ] - [ 0.0005551400000000, -0.0029839400000000, 0.0021577900000000 ] - [ -0.0000682100000000, 0.0002354200000000, -0.0009194500000000 ] - [ 0.0000400800000000, -0.0001093400000000, -0.0003239900000000 ] - [ -0.0007715100000000, 0.0004413800000000, -0.0003349600000000 ] - [ -0.0056423200000000, 0.0009381700000000, 0.0070847400000000 ] - [ -0.0000064300000000, 0.0005295900000000, -0.0004753800000000 ] - [ 0.0005690000000000, 0.0008874500000000, 0.0012057700000000 ] - [ -0.0000053800000000, -0.0004088900000000, -0.0007429900000000 ] - [ -0.0009778400000000, 0.0009753500000000, 0.0015593500000000 ] - [ 0.0199912300000000, 0.0051417400000000, -0.0278563700000000 ] - [ 0.0000449100000000, 0.0000314700000000, 0.0006932500000000 ] - [ -0.0004217600000000, 0.0000637100000000, -0.0004899800000000 ] - [ -0.0001049300000000, 0.0000234100000000, 0.0006253600000000 ] - [ 0.0010039800000000, 0.0003569900000000, -0.0020453900000000 ] - [ 0.0000821600000000, 0.0004090200000000, 0.0010056100000000 ] - [ -0.0003702300000000, -0.0003948100000000, -0.0002230700000000 ] - [ 0.0000000200000000, -0.0003413900000000, 0.0005339400000000 ] - [ -0.0003865200000000, 0.0001522100000000, -0.0001724700000000 ] - [ -0.0009403300000000, 0.0002452300000000, -0.0001626800000000 ] - [ 0.0001844800000000, -0.0001365100000000, 0.0006717200000000 ] - [ -0.0000122600000000, -0.0002223000000000, 0.0011037100000000 ] - [ 0.0005696900000000, -0.0000237600000000, 0.0011721800000000 ] - [ -0.0043729000000000, 0.0006718200000000, -0.0037062600000000 ] - [ -0.0003231700000000, 0.0000969400000000, 0.0015815100000000 ] - [ -0.0025005300000000, -0.0024386700000000, 0.0019417000000000 ] - [ -0.0011860600000000, 0.0000245600000000, -0.0023737900000000 ] - [ -0.0001230400000000, -0.0002141500000000, 0.0007981500000000 ] - [ 0.0023506300000000, 0.0010565700000000, -0.0013211300000000 ] - [ 0.0004257300000000, 0.0000921500000000, 0.0013994100000000 ] - [ -0.0033287600000000, -0.0045817300000000, 0.0058974400000000 ] - [ 0.0013172200000000, 0.0001119300000000, -0.0010807700000000 ] - [ 0.0001180600000000, 0.0002712100000000, 0.0010164600000000 ] - [ 0.0001300100000000, -0.0000273500000000, 0.0012606800000000 ] - [ -0.0012110400000000, -0.0005954100000000, 0.0016662500000000 ] - [ -0.0021040400000000, -0.0023169800000000, -0.0031660300000000 ] - [ 0.0000117700000000, -0.0003063900000000, 0.0021367200000000 ] - [ -0.0044630700000000, 0.0040035800000000, 0.0052701300000000 ] - [ 0.0055516700000000, -0.0046754200000000, 0.0013134200000000 ] - [ -0.0003248200000000, -0.0003693100000000, 0.0014689200000000 ] - [ -0.0029585200000000, -0.0012067400000000, -0.0045994000000000 ] - [ -0.0001238800000000, 0.0003427500000000, 0.0014652300000000 ] - [ -0.0017216900000000, 0.0092769700000000, 0.0044815000000000 ] - [ 0.0047450600000000, 0.0000491700000000, 0.0019389600000000 ] - [ -0.0001867100000000, -0.0001522800000000, 0.0012612200000000 ] - [ -0.0006854700000000, -0.0003538300000000, 0.0015034100000000 ]- atom: 49 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ 0.0006541400000000, 0.0013853300000000, 0.0012942000000000 ] - [ 0.0035786200000000, -0.0023586700000000, 0.0012437400000000 ] - [ 0.0005780900000000, 0.0003667600000000, 0.0006212700000000 ] - [ -0.0007611300000000, 0.0003115900000000, 0.0004627500000000 ] - [ -0.0012655700000000, 0.0018378300000000, 0.0013788100000000 ] - [ 0.0010207400000000, 0.0005634800000000, -0.0009461500000000 ] - [ -0.0002235000000000, -0.0000126900000000, 0.0014494400000000 ] - [ -0.0004900200000000, -0.0005585400000000, 0.0007728000000000 ] - [ 0.0004678500000000, -0.0000836900000000, 0.0009583400000000 ] - [ -0.0023428700000000, 0.0018849400000000, -0.0004448100000000 ] - [ -0.0004586100000000, -0.0000335200000000, 0.0019039700000000 ] - [ -0.0006132000000000, -0.0003943000000000, -0.0023079200000000 ] - [ -0.0012628700000000, -0.0001395400000000, -0.0015172100000000 ] - [ -0.0006546000000000, 0.0000266800000000, 0.0008398400000000 ] - [ -0.0003174700000000, 0.0013061600000000, 0.0018902700000000 ] - [ 0.0005060200000000, -0.0000656200000000, 0.0003374900000000 ] - [ 0.0003039200000000, -0.0004430900000000, 0.0008865100000000 ] - [ 0.0014597800000000, -0.0002413600000000, -0.0022278300000000 ] - [ -0.0004488300000000, 0.0002809100000000, 0.0004404700000000 ] - [ -0.0008236900000000, 0.0004700300000000, 0.0012228300000000 ] - [ 0.0009480200000000, -0.0025600200000000, -0.0006682500000000 ] - [ -0.0004340200000000, -0.0005286900000000, 0.0018957700000000 ] - [ -0.0005413000000000, -0.0003511000000000, 0.0008121200000000 ] - [ -0.0006171100000000, 0.0006163000000000, 0.0013850000000000 ] - [ -0.0010486200000000, -0.0004073500000000, 0.0003102200000000 ] - [ -0.0007177400000000, -0.0002124100000000, -0.0009675900000000 ] - [ 0.0008850800000000, 0.0005317800000000, 0.0009263500000000 ] - [ 0.0010339600000000, 0.0041759600000000, -0.0077883600000000 ] - [ -0.0018077000000000, -0.0014114600000000, -0.0022410400000000 ] - [ 0.0005171500000000, -0.0005125800000000, 0.0004098700000000 ] - [ 0.0016359900000000, -0.0001346300000000, 0.0016561400000000 ] - [ -0.0002360200000000, 0.0003819500000000, 0.0012269300000000 ] - [ 0.0020133800000000, -0.0004476600000000, -0.0021912500000000 ] - [ -0.0004473800000000, -0.0000906800000000, 0.0015310100000000 ] - [ 0.0017529100000000, 0.0000440400000000, -0.0027098800000000 ] - [ -0.0000967100000000, -0.0000546200000000, 0.0003128000000000 ] - [ -0.0000925100000000, 0.0009115700000000, 0.0017277400000000 ] - [ 0.0003470300000000, 0.0004984300000000, -0.0006346800000000 ] - [ 0.0011434000000000, -0.0005099800000000, 0.0003025400000000 ] - [ -0.0008617000000000, 0.0017841200000000, -0.0008141400000000 ] - [ -0.0003770700000000, 0.0000748100000000, 0.0005915000000000 ] - [ 0.0004075500000000, 0.0004085600000000, 0.0006619900000000 ] - [ 0.0012207000000000, -0.0007416100000000, 0.0006784900000000 ] - [ 0.0056388000000000, -0.0014879200000000, -0.0079978900000000 ] - [ -0.0001265000000000, 0.0005408200000000, 0.0005206800000000 ] - [ -0.0004034900000000, 0.0001813600000000, -0.0012418100000000 ] - [ 0.0001594800000000, -0.0006584200000000, 0.0007090500000000 ] - [ 0.0003391500000000, -0.0006544900000000, -0.0019317000000000 ] - [ -0.0204720300000000, -0.0047257600000000, 0.0282450600000000 ] - [ -0.0000546300000000, -0.0000986100000000, -0.0007121000000000 ] - [ 0.0004059700000000, 0.0000063900000000, 0.0004695300000000 ] - [ 0.0001144300000000, 0.0000465100000000, -0.0006096100000000 ] - [ -0.0008615000000000, 0.0004111000000000, 0.0019033300000000 ] - [ -0.0002219200000000, 0.0003686700000000, -0.0008664600000000 ] - [ 0.0002279600000000, -0.0003824800000000, 0.0003636900000000 ] - [ 0.0001400600000000, -0.0004374400000000, -0.0006784600000000 ] - [ 0.0001587600000000, 0.0002383500000000, 0.0001922500000000 ] - [ 0.0011714600000000, 0.0001408100000000, 0.0001453600000000 ] - [ 0.0000461600000000, -0.0002508300000000, -0.0006909500000000 ] - [ -0.0002142400000000, -0.0001678700000000, -0.0010823000000000 ] - [ 0.0005757800000000, -0.0002314000000000, -0.0018964900000000 ] - [ 0.0032430300000000, -0.0009387000000000, 0.0044047500000000 ] - [ -0.0008201400000000, 0.0001593000000000, -0.0008599800000000 ] - [ 0.0036260200000000, 0.0026602300000000, -0.0026349100000000 ] - [ 0.0017232700000000, -0.0003494200000000, 0.0028967800000000 ] - [ -0.0004131700000000, -0.0001073000000000, -0.0013192400000000 ] - [ -0.0028682200000000, -0.0007296800000000, 0.0007846900000000 ] - [ 0.0001122100000000, 0.0002317000000000, -0.0008831100000000 ] - [ 0.0037958600000000, 0.0045084600000000, -0.0060374100000000 ] - [ -0.0017457200000000, -0.0002361000000000, 0.0011466600000000 ] - [ -0.0005457500000000, -0.0001511000000000, -0.0009590700000000 ] - [ 0.0002910500000000, 0.0001525100000000, -0.0013145400000000 ] - [ 0.0009390700000000, 0.0008425300000000, -0.0020679700000000 ] - [ 0.0023808600000000, 0.0025826800000000, 0.0035554800000000 ] - [ 0.0002647200000000, 0.0000641700000000, -0.0017438300000000 ] - [ 0.0041537100000000, -0.0041717600000000, -0.0056590800000000 ] - [ -0.0051149500000000, 0.0038663800000000, -0.0003763600000000 ] - [ -0.0001218300000000, -0.0004495900000000, -0.0024073500000000 ] - [ 0.0024976300000000, 0.0020323900000000, 0.0037043600000000 ] - [ 0.0005659200000000, 0.0004679300000000, -0.0005276800000000 ] - [ 0.0019428100000000, -0.0082430400000000, -0.0049164500000000 ] - [ -0.0049330500000000, 0.0010048200000000, -0.0015292600000000 ] - [ 0.0000102700000000, -0.0009014700000000, -0.0008591300000000 ] - [ 0.0008585900000000, -0.0007011600000000, -0.0019106400000000 ]- atom: 53 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ 0.0013448900000000, -0.0004167800000000, 0.0009434500000000 ] - [ 0.0039950000000000, -0.0009900000000000, -0.0001952500000000 ] - [ 0.0002131700000000, 0.0003073000000000, -0.0001393100000000 ] - [ -0.0010383000000000, 0.0003554800000000, 0.0000940900000000 ] - [ -0.0007158400000000, -0.0002289700000000, 0.0012164100000000 ] - [ -0.0004497200000000, -0.0006668800000000, -0.0009277900000000 ] - [ -0.0000237100000000, -0.0001533400000000, 0.0003831200000000 ] - [ 0.0002832800000000, -0.0002941900000000, -0.0002165900000000 ] - [ 0.0004475600000000, -0.0000703500000000, -0.0002436300000000 ] - [ 0.0030080100000000, 0.0015046700000000, 0.0004806100000000 ] - [ -0.0004908300000000, 0.0001005300000000, 0.0006391700000000 ] - [ -0.0008161400000000, 0.0012069100000000, 0.0005951300000000 ] - [ -0.0032168200000000, 0.0002627300000000, -0.0004817100000000 ] - [ -0.0008534400000000, 0.0001465600000000, 0.0004943400000000 ] - [ 0.0017023700000000, 0.0001834200000000, 0.0012600300000000 ] - [ 0.0005325800000000, -0.0000988400000000, -0.0003981500000000 ] - [ 0.0003739500000000, -0.0001804700000000, 0.0005159300000000 ] - [ -0.0009013300000000, 0.0013474700000000, -0.0000047400000000 ] - [ -0.0004509900000000, 0.0003429100000000, -0.0001986800000000 ] - [ 0.0001042500000000, -0.0006799200000000, 0.0014925500000000 ] - [ 0.0024767200000000, -0.0002315300000000, 0.0017158900000000 ] - [ 0.0003445000000000, 0.0000124300000000, 0.0005535500000000 ] - [ -0.0003523400000000, -0.0001513300000000, -0.0002362000000000 ] - [ -0.0001168800000000, -0.0000250800000000, 0.0017656100000000 ] - [ -0.0012053600000000, -0.0005375500000000, -0.0002977200000000 ] - [ -0.0022937700000000, 0.0005987500000000, 0.0001391700000000 ] - [ 0.0009395400000000, 0.0004706200000000, 0.0002676700000000 ] - [ 0.0005585000000000, -0.0004725700000000, -0.0002289500000000 ] - [ -0.0019940300000000, 0.0004459900000000, 0.0005310100000000 ] - [ -0.0000662400000000, -0.0002157400000000, -0.0008593800000000 ] - [ 0.0001422100000000, -0.0000373700000000, -0.0006719900000000 ] - [ -0.0003013400000000, 0.0004183200000000, 0.0001026900000000 ] - [ -0.0002393600000000, -0.0005339200000000, -0.0012395900000000 ] - [ -0.0001329900000000, -0.0000162900000000, 0.0004811500000000 ] - [ -0.0021130500000000, 0.0020016100000000, -0.0007416100000000 ] - [ 0.0001895400000000, 0.0000397700000000, -0.0006660300000000 ] - [ -0.0001804600000000, 0.0006489400000000, 0.0007537000000000 ] - [ -0.0002575100000000, 0.0008142000000000, -0.0015522600000000 ] - [ 0.0004737100000000, -0.0009517800000000, -0.0009844100000000 ] - [ 0.0039603500000000, 0.0008591800000000, 0.0000983800000000 ] - [ -0.0002997200000000, 0.0002730600000000, -0.0000008400000000 ] - [ 0.0000931600000000, 0.0002131600000000, -0.0000726400000000 ] - [ 0.0006474900000000, -0.0005827100000000, -0.0006673300000000 ] - [ 0.0001386500000000, -0.0020082500000000, 0.0005978900000000 ] - [ -0.0002745100000000, 0.0006176000000000, -0.0001845100000000 ] - [ -0.0024110800000000, 0.0003053500000000, -0.0002267900000000 ] - [ 0.0001612800000000, -0.0005787400000000, 0.0000190300000000 ] - [ 0.0057611300000000, -0.0033518300000000, 0.0017249100000000 ] - [ -0.0017308100000000, -0.0002176800000000, 0.0000972400000000 ] - [ -0.0002731100000000, -0.0001441800000000, 0.0000121400000000 ] - [ 0.0007645200000000, -0.0001165600000000, 0.0000847300000000 ] - [ 0.0000988500000000, 0.0000510200000000, -0.0000185500000000 ] - [ -0.0255346400000000, -0.0019365400000000, -0.0059149000000000 ] - [ -0.0002794600000000, 0.0004986300000000, -0.0000233500000000 ] - [ 0.0009359600000000, -0.0003017900000000, 0.0000824200000000 ] - [ 0.0001629600000000, -0.0004070800000000, -0.0000683500000000 ] - [ 0.0011050100000000, 0.0003024200000000, 0.0000500400000000 ] - [ 0.0008580100000000, 0.0001107700000000, 0.0000695900000000 ] - [ -0.0001578500000000, -0.0002966200000000, 0.0001140700000000 ] - [ -0.0003269800000000, -0.0000784800000000, -0.0000491300000000 ] - [ 0.0007711000000000, -0.0003166600000000, -0.0010704700000000 ] - [ 0.0029912400000000, 0.0019771800000000, 0.0007737800000000 ] - [ -0.0006957700000000, 0.0001357500000000, 0.0003556300000000 ] - [ -0.0007685900000000, 0.0000761500000000, -0.0011762500000000 ] - [ 0.0048099800000000, 0.0021746500000000, 0.0009038200000000 ] - [ 0.0000656400000000, -0.0001908900000000, -0.0000609500000000 ] - [ -0.0008540500000000, -0.0012284600000000, 0.0047102800000000 ] - [ 0.0001260600000000, 0.0001860900000000, 0.0002755400000000 ] - [ -0.0010579500000000, -0.0007136000000000, -0.0017451800000000 ] - [ -0.0015704100000000, -0.0013796700000000, 0.0037297800000000 ] - [ 0.0002345100000000, 0.0001115500000000, 0.0002520900000000 ] - [ 0.0004935300000000, 0.0001449600000000, -0.0007564700000000 ] - [ 0.0004079000000000, 0.0000705300000000, -0.0005963500000000 ] - [ 0.0064142400000000, -0.0052742300000000, -0.0010426500000000 ] - [ 0.0000342900000000, -0.0001738800000000, 0.0000731400000000 ] - [ -0.0007919600000000, 0.0011879800000000, -0.0062888900000000 ] - [ 0.0001691500000000, 0.0025918100000000, 0.0027137000000000 ] - [ -0.0003709200000000, -0.0004452900000000, -0.0006373000000000 ] - [ 0.0087717100000000, -0.0025417600000000, -0.0006189300000000 ] - [ 0.0005595800000000, 0.0005718800000000, 0.0012416500000000 ] - [ -0.0008804700000000, 0.0040767400000000, -0.0051135600000000 ] - [ -0.0016797600000000, 0.0030397600000000, 0.0036270400000000 ] - [ 0.0001075200000000, -0.0009115200000000, 0.0010258500000000 ] - [ 0.0003948800000000, -0.0006355200000000, -0.0004406400000000 ]- atom: 53 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ -0.0026387400000000, -0.0002297200000000, -0.0009328200000000 ] - [ -0.0027186400000000, 0.0003490200000000, 0.0001752900000000 ] - [ 0.0010832100000000, 0.0003417900000000, 0.0001203700000000 ] - [ -0.0002611500000000, 0.0002925100000000, -0.0000827000000000 ] - [ 0.0010449800000000, 0.0006453200000000, -0.0022618000000000 ] - [ 0.0001132400000000, 0.0010953800000000, 0.0019859300000000 ] - [ -0.0003146600000000, -0.0002631300000000, 0.0006670900000000 ] - [ 0.0000469000000000, -0.0001232500000000, -0.0008251800000000 ] - [ 0.0002927500000000, -0.0000609900000000, -0.0006974900000000 ] - [ -0.0038455000000000, -0.0017664200000000, 0.0005631100000000 ] - [ -0.0002556300000000, 0.0000351900000000, 0.0003094200000000 ] - [ 0.0015688300000000, -0.0010783400000000, -0.0015497500000000 ] - [ 0.0039067200000000, -0.0000642700000000, -0.0003710900000000 ] - [ 0.0001437600000000, 0.0000524600000000, 0.0003641500000000 ] - [ -0.0024121200000000, -0.0003859800000000, -0.0003985100000000 ] - [ 0.0001569400000000, -0.0000894500000000, -0.0004456600000000 ] - [ 0.0005237000000000, -0.0004743900000000, -0.0000930400000000 ] - [ 0.0000034800000000, -0.0020018700000000, -0.0004145000000000 ] - [ -0.0004418600000000, 0.0003053900000000, -0.0002241100000000 ] - [ 0.0007868700000000, 0.0013261700000000, -0.0010628100000000 ] - [ -0.0026550700000000, -0.0007877500000000, -0.0016524800000000 ] - [ 0.0002754900000000, 0.0002582300000000, -0.0002165900000000 ] - [ -0.0002656300000000, -0.0001182000000000, -0.0001016800000000 ] - [ 0.0007337900000000, -0.0002487400000000, -0.0014181000000000 ] - [ -0.0003402900000000, -0.0003300800000000, -0.0002015800000000 ] - [ 0.0038396500000000, -0.0014538200000000, 0.0003518700000000 ] - [ 0.0006098100000000, 0.0003934100000000, 0.0002304600000000 ] - [ -0.0021058400000000, 0.0013417700000000, -0.0002641100000000 ] - [ 0.0012024000000000, -0.0013162800000000, -0.0008265500000000 ] - [ 0.0008532400000000, -0.0006679500000000, 0.0011523500000000 ] - [ 0.0006526500000000, 0.0009298500000000, 0.0009792400000000 ] - [ -0.0004890000000000, 0.0004677600000000, -0.0004082800000000 ] - [ 0.0004688000000000, 0.0005079600000000, 0.0002564500000000 ] - [ -0.0000820100000000, -0.0000117700000000, 0.0004952300000000 ] - [ 0.0019612900000000, -0.0020016800000000, 0.0017236300000000 ] - [ 0.0000360000000000, -0.0000059100000000, -0.0003304800000000 ] - [ -0.0001311100000000, 0.0005840400000000, 0.0006180600000000 ] - [ 0.0005935300000000, 0.0004192300000000, 0.0001970500000000 ] - [ -0.0001467100000000, -0.0002932900000000, -0.0003828400000000 ] - [ -0.0041236800000000, -0.0019116800000000, 0.0011328200000000 ] - [ -0.0001345800000000, 0.0000343200000000, -0.0003173000000000 ] - [ 0.0003429800000000, 0.0001030500000000, 0.0003942600000000 ] - [ -0.0002222300000000, 0.0002668800000000, 0.0009832800000000 ] - [ -0.0005699700000000, 0.0016922000000000, -0.0009120600000000 ] - [ 0.0000915100000000, 0.0004277800000000, 0.0002033000000000 ] - [ 0.0025892000000000, 0.0007501300000000, 0.0002070000000000 ] - [ 0.0000080900000000, -0.0004835000000000, -0.0000483200000000 ] - [ -0.0066982800000000, 0.0039237600000000, -0.0022108800000000 ] - [ 0.0017374600000000, 0.0001603400000000, -0.0000776200000000 ] - [ 0.0002626100000000, 0.0000799600000000, -0.0000312800000000 ] - [ -0.0007757300000000, 0.0001829100000000, -0.0001010800000000 ] - [ -0.0000878700000000, 0.0000173700000000, 0.0000370400000000 ] - [ 0.0258344400000000, 0.0023827800000000, 0.0058451600000000 ] - [ 0.0001406700000000, 0.0002811800000000, 0.0001712400000000 ] - [ -0.0010785400000000, -0.0004752800000000, 0.0000680400000000 ] - [ -0.0000239600000000, -0.0003716600000000, -0.0000740400000000 ] - [ -0.0013328900000000, 0.0000896300000000, -0.0000356200000000 ] - [ -0.0006297400000000, 0.0002742800000000, -0.0000890300000000 ] - [ 0.0003866400000000, -0.0000929900000000, -0.0001338600000000 ] - [ 0.0000988000000000, -0.0003099300000000, 0.0000676900000000 ] - [ 0.0003761100000000, 0.0000639500000000, 0.0003468200000000 ] - [ -0.0041333400000000, -0.0022604500000000, -0.0000522400000000 ] - [ -0.0004513600000000, 0.0001195000000000, 0.0003686600000000 ] - [ 0.0019162300000000, 0.0001835600000000, 0.0004651800000000 ] - [ -0.0042535600000000, -0.0024626800000000, -0.0003890300000000 ] - [ -0.0006011800000000, -0.0001325500000000, -0.0004527700000000 ] - [ 0.0002980900000000, 0.0015571700000000, -0.0052115500000000 ] - [ 0.0004131500000000, 0.0001374600000000, 0.0002457700000000 ] - [ 0.0014644600000000, 0.0005825800000000, 0.0016820300000000 ] - [ 0.0011527900000000, 0.0012516700000000, -0.0036675600000000 ] - [ -0.0006642800000000, 0.0000116000000000, -0.0001923700000000 ] - [ -0.0000666300000000, -0.0000174400000000, 0.0006959500000000 ] - [ -0.0006840200000000, 0.0001735800000000, 0.0002019100000000 ] - [ -0.0061591800000000, 0.0055439600000000, 0.0014182300000000 ] - [ 0.0002403000000000, -0.0000673200000000, 0.0003205800000000 ] - [ 0.0005294300000000, -0.0014394800000000, 0.0058800400000000 ] - [ 0.0002491600000000, -0.0034302800000000, -0.0017762800000000 ] - [ -0.0000766100000000, -0.0003728100000000, -0.0002933600000000 ] - [ -0.0091734400000000, 0.0032928600000000, -0.0002968700000000 ] - [ -0.0001165400000000, 0.0002466100000000, -0.0003014500000000 ] - [ 0.0010675200000000, -0.0030209300000000, 0.0047140800000000 ] - [ 0.0015587400000000, -0.0019908700000000, -0.0032254300000000 ] - [ -0.0002809500000000, -0.0001432200000000, -0.0006178500000000 ] - [ -0.0002139000000000, -0.0004202100000000, 0.0000312200000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005635600000000, -0.0010741200000000, 0.0012604500000000 ] - [ 0.0000511000000000, 0.0025017400000000, 0.0000593400000000 ] - [ 0.0005459000000000, 0.0002540700000000, 0.0000759100000000 ] - [ -0.0007509300000000, 0.0003303600000000, -0.0001794800000000 ] - [ -0.0007230000000000, -0.0003985600000000, 0.0010977600000000 ] - [ -0.0012597100000000, 0.0002492300000000, -0.0002687200000000 ] - [ -0.0001476800000000, -0.0002082600000000, 0.0006456300000000 ] - [ 0.0004009300000000, -0.0002500100000000, -0.0008826300000000 ] - [ 0.0003970500000000, -0.0000546200000000, -0.0002053300000000 ] - [ 0.0013535100000000, 0.0034872800000000, -0.0000713200000000 ] - [ -0.0004168900000000, 0.0001541200000000, 0.0003608500000000 ] - [ 0.0010805800000000, -0.0009408000000000, -0.0015813700000000 ] - [ 0.0011659800000000, -0.0008043300000000, -0.0005449000000000 ] - [ -0.0004993200000000, 0.0001873500000000, 0.0002055400000000 ] - [ 0.0001327900000000, -0.0000439900000000, 0.0017402200000000 ] - [ 0.0004101200000000, -0.0000882900000000, -0.0004261900000000 ] - [ 0.0004396200000000, 0.0002131400000000, 0.0002141100000000 ] - [ -0.0003912800000000, -0.0038074200000000, -0.0005368700000000 ] - [ -0.0004618600000000, 0.0004989500000000, -0.0001920900000000 ] - [ 0.0000294300000000, -0.0016900400000000, 0.0012337100000000 ] - [ 0.0002100400000000, 0.0025925900000000, 0.0011970500000000 ] - [ 0.0006779700000000, -0.0000254300000000, -0.0003329400000000 ] - [ -0.0003621400000000, -0.0002266200000000, -0.0002194700000000 ] - [ -0.0002697200000000, 0.0004606300000000, 0.0016871500000000 ] - [ -0.0008527500000000, -0.0002888000000000, 0.0000277500000000 ] - [ 0.0016489000000000, -0.0009425700000000, 0.0000117900000000 ] - [ 0.0008364900000000, 0.0004851300000000, 0.0002620800000000 ] - [ -0.0008074400000000, -0.0007613200000000, -0.0014201800000000 ] - [ 0.0005111900000000, -0.0002372800000000, -0.0008381700000000 ] - [ 0.0006473800000000, -0.0006439800000000, 0.0010727800000000 ] - [ 0.0001029200000000, 0.0001223000000000, -0.0009043400000000 ] - [ -0.0003472000000000, 0.0004161200000000, 0.0000836700000000 ] - [ -0.0003863100000000, -0.0004036900000000, -0.0011190200000000 ] - [ -0.0001165600000000, -0.0000261700000000, 0.0004224500000000 ] - [ 0.0033556200000000, 0.0007364600000000, 0.0013170000000000 ] - [ 0.0000551200000000, -0.0000015400000000, -0.0002281000000000 ] - [ -0.0001453200000000, 0.0005706000000000, 0.0006043800000000 ] - [ 0.0001561100000000, 0.0009263300000000, -0.0003654300000000 ] - [ -0.0008509000000000, -0.0010660300000000, -0.0022815400000000 ] - [ 0.0011477600000000, 0.0016951200000000, 0.0002169100000000 ] - [ -0.0002179500000000, 0.0005105500000000, -0.0001090100000000 ] - [ 0.0001941400000000, -0.0002352400000000, 0.0002333200000000 ] - [ -0.0003171800000000, 0.0021265100000000, -0.0002576100000000 ] - [ -0.0000922100000000, -0.0033057100000000, 0.0000130200000000 ] - [ -0.0001337200000000, 0.0000446700000000, 0.0001797400000000 ] - [ 0.0006040400000000, 0.0029530100000000, -0.0002047400000000 ] - [ 0.0001227600000000, -0.0007105300000000, -0.0000123000000000 ] - [ -0.0035574000000000, 0.0039129400000000, -0.0017233500000000 ] - [ -0.0002287400000000, 0.0046470700000000, -0.0001527600000000 ] - [ -0.0000937100000000, -0.0003540000000000, -0.0000808300000000 ] - [ 0.0000760000000000, 0.0007355700000000, 0.0000331500000000 ] - [ 0.0000310300000000, -0.0000704100000000, -0.0000319700000000 ] - [ -0.0019859400000000, -0.0255744400000000, 0.0024718000000000 ] - [ -0.0001774100000000, 0.0008457600000000, -0.0000184400000000 ] - [ 0.0000166800000000, -0.0009926000000000, 0.0002378300000000 ] - [ 0.0000875300000000, -0.0002882800000000, -0.0000962300000000 ] - [ -0.0000566600000000, -0.0006481400000000, -0.0001260600000000 ] - [ 0.0002522900000000, 0.0009410100000000, -0.0000433900000000 ] - [ -0.0000251700000000, -0.0004831800000000, 0.0001410400000000 ] - [ -0.0002132000000000, 0.0001514100000000, -0.0000439200000000 ] - [ 0.0005832000000000, -0.0006324900000000, -0.0010852000000000 ] - [ 0.0014886500000000, 0.0027537300000000, 0.0013083900000000 ] - [ -0.0006007800000000, -0.0000272200000000, 0.0003319100000000 ] - [ -0.0001013400000000, 0.0017457800000000, 0.0009672600000000 ] - [ 0.0028864200000000, -0.0009584300000000, 0.0016108700000000 ] - [ 0.0002015900000000, 0.0000000600000000, 0.0001705500000000 ] - [ -0.0012583700000000, -0.0025662100000000, -0.0036238400000000 ] - [ 0.0002669900000000, 0.0003326200000000, 0.0001987900000000 ] - [ -0.0018934000000000, 0.0024080600000000, 0.0013945200000000 ] - [ -0.0013639300000000, -0.0003966600000000, -0.0037504200000000 ] - [ 0.0001233700000000, 0.0004436100000000, 0.0002649100000000 ] - [ 0.0003226500000000, -0.0000071800000000, -0.0006134400000000 ] - [ -0.0000698600000000, -0.0004191900000000, 0.0002005100000000 ] - [ -0.0041071500000000, 0.0059586100000000, 0.0016125100000000 ] - [ 0.0001896500000000, -0.0002476200000000, 0.0000725400000000 ] - [ 0.0008846100000000, 0.0010099000000000, -0.0060714300000000 ] - [ 0.0020187300000000, 0.0018696700000000, 0.0043818300000000 ] - [ -0.0003639400000000, -0.0003652600000000, -0.0005923300000000 ] - [ -0.0054875500000000, -0.0016366800000000, 0.0008631400000000 ] - [ 0.0003052900000000, 0.0006418400000000, -0.0003564000000000 ] - [ 0.0015035800000000, 0.0059085300000000, -0.0043884700000000 ] - [ 0.0043119900000000, -0.0009052400000000, 0.0053378900000000 ] - [ -0.0001029600000000, -0.0002256500000000, 0.0000380400000000 ] - [ -0.0000265300000000, -0.0007882000000000, 0.0001201300000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007350400000000, 0.0004246500000000, -0.0012395100000000 ] - [ 0.0012412600000000, -0.0032980600000000, -0.0002464700000000 ] - [ 0.0007584100000000, 0.0003985100000000, -0.0000949600000000 ] - [ -0.0005473300000000, 0.0003207500000000, 0.0002001100000000 ] - [ 0.0010393300000000, 0.0008129700000000, -0.0021468500000000 ] - [ 0.0009309400000000, 0.0001609200000000, 0.0013207300000000 ] - [ -0.0001976300000000, -0.0002071700000000, 0.0004034400000000 ] - [ -0.0000709100000000, -0.0001625900000000, -0.0001670600000000 ] - [ 0.0003502400000000, -0.0000816600000000, -0.0007370600000000 ] - [ -0.0022542300000000, -0.0037796300000000, 0.0011462000000000 ] - [ -0.0003321200000000, -0.0000193300000000, 0.0005930900000000 ] - [ -0.0003288700000000, 0.0010750000000000, 0.0006397100000000 ] - [ -0.0004728100000000, 0.0009923800000000, -0.0002928300000000 ] - [ -0.0001891300000000, -0.0000114800000000, 0.0006285900000000 ] - [ -0.0008340700000000, -0.0001468600000000, -0.0008998300000000 ] - [ 0.0002905400000000, -0.0001057900000000, -0.0004283000000000 ] - [ 0.0004550600000000, -0.0008595400000000, 0.0002108100000000 ] - [ -0.0004812400000000, 0.0031757000000000, 0.0001123300000000 ] - [ -0.0004328200000000, 0.0001538200000000, -0.0002328900000000 ] - [ 0.0008625400000000, 0.0023303800000000, -0.0008037400000000 ] - [ -0.0003682200000000, -0.0036407100000000, -0.0011351200000000 ] - [ -0.0000512600000000, 0.0003168400000000, 0.0006847900000000 ] - [ -0.0002671300000000, -0.0000641600000000, -0.0001245800000000 ] - [ 0.0009010400000000, -0.0007565200000000, -0.0013449800000000 ] - [ -0.0006949200000000, -0.0005602600000000, -0.0005144800000000 ] - [ -0.0001002100000000, 0.0000828300000000, 0.0004806900000000 ] - [ 0.0007095100000000, 0.0003665600000000, 0.0002290700000000 ] - [ -0.0007456100000000, 0.0016150500000000, 0.0009115700000000 ] - [ -0.0013121100000000, -0.0006587200000000, 0.0005372300000000 ] - [ 0.0001425900000000, -0.0002420500000000, -0.0007703800000000 ] - [ 0.0006924500000000, 0.0007764200000000, 0.0012118700000000 ] - [ -0.0004451900000000, 0.0004703900000000, -0.0003964100000000 ] - [ 0.0005977400000000, 0.0003740000000000, 0.0001212800000000 ] - [ -0.0000915800000000, -0.0000214400000000, 0.0005873300000000 ] - [ -0.0035338400000000, -0.0007609200000000, -0.0003125100000000 ] - [ 0.0001570000000000, 0.0000330000000000, -0.0007545900000000 ] - [ -0.0001772500000000, 0.0006613600000000, 0.0007568200000000 ] - [ 0.0001600900000000, 0.0003003200000000, -0.0009994900000000 ] - [ 0.0011449400000000, -0.0001512800000000, 0.0009114500000000 ] - [ -0.0013204600000000, -0.0027981200000000, 0.0010487800000000 ] - [ -0.0002150500000000, -0.0002066600000000, -0.0002086800000000 ] - [ 0.0002403600000000, 0.0005392200000000, 0.0000866900000000 ] - [ 0.0007512400000000, -0.0024429000000000, 0.0005749900000000 ] - [ -0.0003473000000000, 0.0030091000000000, -0.0003301100000000 ] - [ -0.0000257000000000, 0.0010280800000000, -0.0001437600000000 ] - [ -0.0004380300000000, -0.0019014100000000, 0.0001746700000000 ] - [ 0.0000542800000000, -0.0003431400000000, -0.0000090500000000 ] - [ 0.0027260100000000, -0.0034981400000000, 0.0012998600000000 ] - [ 0.0002441300000000, -0.0047490500000000, 0.0001793400000000 ] - [ 0.0000839700000000, 0.0002895400000000, 0.0000579500000000 ] - [ -0.0000866800000000, -0.0006666000000000, -0.0000492200000000 ] - [ -0.0000224600000000, 0.0001339000000000, 0.0000537800000000 ] - [ 0.0023338600000000, 0.0265125800000000, -0.0024303600000000 ] - [ 0.0000401400000000, -0.0000668600000000, 0.0001611400000000 ] - [ -0.0001562100000000, 0.0002172100000000, -0.0000990900000000 ] - [ 0.0000516200000000, -0.0004881900000000, -0.0000447200000000 ] - [ -0.0001706200000000, 0.0010375600000000, 0.0001450000000000 ] - [ -0.0000242900000000, -0.0005536300000000, 0.0000249300000000 ] - [ 0.0002541300000000, 0.0000929400000000, -0.0001606500000000 ] - [ -0.0000146800000000, -0.0005397300000000, 0.0000636200000000 ] - [ 0.0005632400000000, 0.0003763900000000, 0.0003580500000000 ] - [ -0.0026437200000000, -0.0030111400000000, -0.0005906300000000 ] - [ -0.0005470000000000, 0.0002819000000000, 0.0003914500000000 ] - [ 0.0012322400000000, -0.0014874400000000, -0.0016741900000000 ] - [ -0.0023438400000000, 0.0006290900000000, -0.0010915800000000 ] - [ -0.0007414100000000, -0.0003248700000000, -0.0006908400000000 ] - [ 0.0007166500000000, 0.0029168800000000, 0.0030999800000000 ] - [ 0.0002719400000000, -0.0000093600000000, 0.0003189200000000 ] - [ 0.0023263600000000, -0.0025313400000000, -0.0014647300000000 ] - [ 0.0009281400000000, 0.0002633200000000, 0.0038035800000000 ] - [ -0.0005530900000000, -0.0003184500000000, -0.0002072400000000 ] - [ 0.0001050700000000, 0.0001335600000000, 0.0005565300000000 ] - [ -0.0002002100000000, 0.0006634800000000, -0.0005959900000000 ] - [ 0.0043345000000000, -0.0057283700000000, -0.0012333000000000 ] - [ 0.0000872500000000, 0.0000051400000000, 0.0003153800000000 ] - [ -0.0011613100000000, -0.0012490800000000, 0.0056684400000000 ] - [ -0.0015577300000000, -0.0027290700000000, -0.0034156300000000 ] - [ -0.0000800800000000, -0.0004495000000000, -0.0003465400000000 ] - [ 0.0050431600000000, 0.0024659200000000, -0.0018066900000000 ] - [ 0.0001425000000000, 0.0001760400000000, 0.0012898800000000 ] - [ -0.0012975400000000, -0.0048580000000000, 0.0039675200000000 ] - [ -0.0044837300000000, 0.0019657800000000, -0.0049370300000000 ] - [ -0.0000723400000000, -0.0008344100000000, 0.0003708800000000 ] - [ 0.0002024900000000, -0.0002658700000000, -0.0005264200000000 ]- atom: 53 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ -0.0011544400000000, 0.0004025900000000, -0.0008652000000000 ] - [ -0.0016133700000000, 0.0001856100000000, 0.0019312100000000 ] - [ 0.0007226100000000, 0.0004011100000000, -0.0007145300000000 ] - [ -0.0006281100000000, 0.0002824300000000, -0.0004531800000000 ] - [ 0.0011304000000000, 0.0004859300000000, -0.0020755700000000 ] - [ -0.0017423500000000, -0.0000842300000000, 0.0022935500000000 ] - [ -0.0000383500000000, -0.0003062500000000, -0.0003878300000000 ] - [ 0.0005976800000000, -0.0001738400000000, -0.0014336700000000 ] - [ 0.0002958600000000, -0.0000349400000000, -0.0017739000000000 ] - [ -0.0025325700000000, -0.0015299900000000, 0.0039530300000000 ] - [ -0.0003615700000000, 0.0000703700000000, -0.0007876900000000 ] - [ 0.0014230700000000, -0.0007973800000000, 0.0013179100000000 ] - [ 0.0017171000000000, 0.0003565500000000, 0.0006756200000000 ] - [ -0.0002379600000000, 0.0000572000000000, -0.0000066700000000 ] - [ -0.0008422200000000, 0.0004673300000000, -0.0007626700000000 ] - [ 0.0002454300000000, -0.0001276900000000, -0.0011221300000000 ] - [ 0.0007311500000000, -0.0003817500000000, -0.0006008200000000 ] - [ -0.0002910800000000, 0.0000345900000000, 0.0011142000000000 ] - [ -0.0004308600000000, 0.0003455200000000, -0.0008306700000000 ] - [ 0.0013024900000000, 0.0016976700000000, -0.0007617100000000 ] - [ 0.0000529100000000, 0.0005742400000000, 0.0065073800000000 ] - [ 0.0008844200000000, 0.0003551100000000, -0.0008645100000000 ] - [ -0.0001108900000000, 0.0000257000000000, -0.0011301200000000 ] - [ 0.0012020100000000, -0.0001927700000000, -0.0016249100000000 ] - [ -0.0006072300000000, -0.0004223100000000, -0.0007231000000000 ] - [ 0.0019543800000000, -0.0008861700000000, 0.0015149100000000 ] - [ 0.0007131700000000, 0.0003027600000000, -0.0004399000000000 ] - [ -0.0011398100000000, -0.0007145100000000, -0.0001566500000000 ] - [ 0.0013115900000000, -0.0011890000000000, 0.0017975400000000 ] - [ 0.0002291300000000, -0.0003176700000000, 0.0000114600000000 ] - [ -0.0004727500000000, -0.0005440700000000, -0.0013606700000000 ] - [ -0.0005824400000000, 0.0005382300000000, -0.0014904300000000 ] - [ -0.0017364900000000, -0.0009073500000000, 0.0012586800000000 ] - [ 0.0002127400000000, 0.0000394600000000, -0.0005432800000000 ] - [ -0.0010660400000000, -0.0003424200000000, 0.0041948200000000 ] - [ 0.0002693100000000, 0.0001288100000000, -0.0012676400000000 ] - [ -0.0002544400000000, 0.0003194700000000, -0.0002790200000000 ] - [ -0.0002884300000000, 0.0010408100000000, -0.0011848400000000 ] - [ -0.0010438900000000, -0.0011170800000000, -0.0021181200000000 ] - [ -0.0022973100000000, -0.0022188700000000, 0.0040453200000000 ] - [ -0.0001253700000000, 0.0000877200000000, -0.0008713700000000 ] - [ 0.0001746500000000, 0.0001135000000000, -0.0001590900000000 ] - [ -0.0011680600000000, 0.0001001200000000, -0.0005589300000000 ] - [ 0.0000050500000000, 0.0013841600000000, -0.0000865900000000 ] - [ -0.0000997400000000, 0.0004733500000000, -0.0004687600000000 ] - [ 0.0009766300000000, 0.0004534900000000, 0.0015110700000000 ] - [ 0.0000286400000000, -0.0004026800000000, -0.0007125900000000 ] - [ -0.0017702600000000, 0.0009091600000000, 0.0030339000000000 ] - [ 0.0009270900000000, -0.0001373400000000, -0.0019701500000000 ] - [ -0.0000186400000000, -0.0000841200000000, 0.0008325600000000 ] - [ -0.0003134200000000, 0.0001027400000000, -0.0003096800000000 ] - [ -0.0000774100000000, 0.0000310300000000, 0.0006088400000000 ] - [ 0.0075343200000000, 0.0036406200000000, -0.0245581500000000 ] - [ -0.0000509600000000, 0.0004160400000000, 0.0007801400000000 ] - [ -0.0005640900000000, -0.0002882600000000, -0.0000979600000000 ] - [ 0.0000273000000000, -0.0003613200000000, 0.0005040600000000 ] - [ -0.0004777500000000, 0.0001210200000000, -0.0001258100000000 ] - [ -0.0002902100000000, 0.0002796500000000, -0.0002925500000000 ] - [ 0.0001540800000000, -0.0001278200000000, 0.0008777300000000 ] - [ -0.0000537800000000, -0.0002756500000000, 0.0006802300000000 ] - [ 0.0005511500000000, -0.0001576100000000, 0.0009326200000000 ] - [ -0.0027297900000000, -0.0015442400000000, -0.0034967600000000 ] - [ -0.0003882000000000, 0.0001268400000000, 0.0015321400000000 ] - [ 0.0000089300000000, 0.0001668100000000, 0.0000959600000000 ] - [ -0.0023608800000000, -0.0010410400000000, -0.0035089900000000 ] - [ 0.0000571000000000, -0.0001781000000000, 0.0008366700000000 ] - [ 0.0037577800000000, -0.0026350100000000, 0.0006894300000000 ] - [ 0.0003906500000000, 0.0001013700000000, 0.0013303500000000 ] - [ -0.0019346000000000, 0.0016690700000000, 0.0014224600000000 ] - [ 0.0024249300000000, -0.0017499300000000, -0.0003332600000000 ] - [ 0.0001184300000000, 0.0002961200000000, 0.0009259400000000 ] - [ 0.0001813400000000, -0.0000932400000000, 0.0014613800000000 ] - [ -0.0008762400000000, 0.0000632900000000, 0.0014868700000000 ] - [ -0.0022097400000000, 0.0015550100000000, -0.0037469800000000 ] - [ -0.0000113300000000, -0.0003116700000000, 0.0019903000000000 ] - [ -0.0023875200000000, -0.0030330400000000, 0.0058580600000000 ] - [ 0.0038071900000000, 0.0043443900000000, 0.0018186900000000 ] - [ -0.0003669400000000, -0.0003581100000000, 0.0014200300000000 ] - [ -0.0030350600000000, 0.0025329700000000, -0.0053302100000000 ] - [ 0.0000121000000000, 0.0003284400000000, 0.0014030900000000 ] - [ -0.0011449000000000, -0.0035416700000000, 0.0036994900000000 ] - [ 0.0065512900000000, 0.0021893100000000, 0.0032648300000000 ] - [ -0.0003162600000000, -0.0007527900000000, 0.0014234100000000 ] - [ -0.0004403400000000, -0.0002357100000000, 0.0013513600000000 ]- atom: 53 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ -0.0001398400000000, -0.0010598100000000, 0.0008859900000000 ] - [ 0.0028987000000000, -0.0009545800000000, -0.0020883400000000 ] - [ 0.0005838700000000, 0.0002491700000000, 0.0007005300000000 ] - [ -0.0006751000000000, 0.0003663500000000, 0.0004697500000000 ] - [ -0.0008097400000000, -0.0000750900000000, 0.0010221800000000 ] - [ 0.0014244800000000, 0.0004947000000000, -0.0012531200000000 ] - [ -0.0002968400000000, -0.0001053200000000, 0.0014409600000000 ] - [ -0.0002672900000000, -0.0002405700000000, 0.0003824700000000 ] - [ 0.0004531800000000, -0.0001092400000000, 0.0008256900000000 ] - [ 0.0016211000000000, 0.0011932200000000, -0.0028617700000000 ] - [ -0.0003926700000000, 0.0000752200000000, 0.0017478900000000 ] - [ -0.0006688600000000, 0.0009292000000000, -0.0022574600000000 ] - [ -0.0010157600000000, -0.0001741900000000, -0.0014985800000000 ] - [ -0.0004797000000000, 0.0001347000000000, 0.0008484700000000 ] - [ 0.0001251200000000, -0.0006512200000000, 0.0015970200000000 ] - [ 0.0004585700000000, -0.0000602200000000, 0.0002837300000000 ] - [ 0.0001559500000000, -0.0002637100000000, 0.0010306800000000 ] - [ -0.0006057600000000, -0.0006699400000000, -0.0015340900000000 ] - [ -0.0004629500000000, 0.0002973500000000, 0.0004061900000000 ] - [ -0.0004077300000000, -0.0010541700000000, 0.0011933100000000 ] - [ -0.0000955100000000, -0.0015183400000000, -0.0062405100000000 ] - [ -0.0002515400000000, -0.0000460800000000, 0.0012160200000000 ] - [ -0.0005198800000000, -0.0003304300000000, 0.0007775100000000 ] - [ -0.0005651300000000, -0.0001076000000000, 0.0019682400000000 ] - [ -0.0009471900000000, -0.0004244700000000, 0.0002362100000000 ] - [ -0.0003991900000000, 0.0000540400000000, -0.0010378600000000 ] - [ 0.0008404700000000, 0.0005430500000000, 0.0009288400000000 ] - [ -0.0004185000000000, 0.0015592100000000, -0.0003296600000000 ] - [ -0.0021209200000000, 0.0003098700000000, -0.0021136100000000 ] - [ 0.0005625900000000, -0.0005689400000000, 0.0002939900000000 ] - [ 0.0012728300000000, 0.0014367400000000, 0.0016783100000000 ] - [ -0.0002123200000000, 0.0003493800000000, 0.0011829300000000 ] - [ 0.0019392600000000, 0.0008578700000000, -0.0022554500000000 ] - [ -0.0004185000000000, -0.0000766800000000, 0.0015232700000000 ] - [ 0.0008776600000000, 0.0003755800000000, -0.0032141300000000 ] - [ -0.0000646500000000, -0.0000857200000000, 0.0002775500000000 ] - [ -0.0000587900000000, 0.0008974700000000, 0.0016315000000000 ] - [ 0.0006108600000000, 0.0001833000000000, -0.0001686300000000 ] - [ 0.0013614000000000, -0.0000959800000000, 0.0007696400000000 ] - [ 0.0021813000000000, 0.0012053400000000, -0.0028176400000000 ] - [ -0.0003143200000000, 0.0002248200000000, 0.0005430100000000 ] - [ 0.0002652800000000, 0.0001900300000000, 0.0004846800000000 ] - [ 0.0016174700000000, -0.0004165300000000, 0.0008874100000000 ] - [ -0.0004472100000000, -0.0016956400000000, -0.0002450300000000 ] - [ -0.0000757900000000, 0.0005782200000000, 0.0004874100000000 ] - [ -0.0008109800000000, 0.0006075000000000, -0.0015455300000000 ] - [ 0.0001338400000000, -0.0006472200000000, 0.0006841200000000 ] - [ 0.0011608000000000, -0.0006203900000000, -0.0033649300000000 ] - [ -0.0009171900000000, 0.0000804400000000, 0.0019906600000000 ] - [ 0.0000070000000000, 0.0000155900000000, -0.0008527100000000 ] - [ 0.0003013600000000, -0.0000357900000000, 0.0002894900000000 ] - [ 0.0000890900000000, 0.0000372100000000, -0.0005902200000000 ] - [ -0.0075488100000000, -0.0027587100000000, 0.0242443400000000 ] - [ -0.0000889400000000, 0.0003648300000000, -0.0006355500000000 ] - [ 0.0004180700000000, -0.0004902600000000, 0.0002431300000000 ] - [ 0.0001115700000000, -0.0004192600000000, -0.0006483500000000 ] - [ 0.0002527800000000, 0.0002686300000000, 0.0001449900000000 ] - [ 0.0005195900000000, 0.0001060700000000, 0.0002751500000000 ] - [ 0.0000763400000000, -0.0002605700000000, -0.0008952600000000 ] - [ -0.0001738000000000, -0.0001135200000000, -0.0006619500000000 ] - [ 0.0005982800000000, -0.0000938600000000, -0.0016575900000000 ] - [ 0.0015932800000000, 0.0012832400000000, 0.0042053000000000 ] - [ -0.0007583700000000, 0.0001276600000000, -0.0008108300000000 ] - [ 0.0011319600000000, 0.0000980300000000, -0.0008076000000000 ] - [ 0.0028957000000000, 0.0007173400000000, 0.0040335300000000 ] - [ -0.0005925400000000, -0.0001452200000000, -0.0013510000000000 ] - [ -0.0042664000000000, 0.0029528000000000, -0.0012132900000000 ] - [ 0.0001435300000000, 0.0002196500000000, -0.0008154600000000 ] - [ 0.0023576100000000, -0.0018149200000000, -0.0014902200000000 ] - [ -0.0028673800000000, 0.0016314000000000, 0.0004071300000000 ] - [ -0.0005452100000000, -0.0001718900000000, -0.0008676800000000 ] - [ 0.0002401400000000, 0.0002172800000000, -0.0015177500000000 ] - [ 0.0006087600000000, 0.0001759800000000, -0.0018820900000000 ] - [ 0.0024924100000000, -0.0013198400000000, 0.0041093200000000 ] - [ 0.0002895800000000, 0.0000684600000000, -0.0015997000000000 ] - [ 0.0020949200000000, 0.0027342500000000, -0.0062427000000000 ] - [ -0.0033622700000000, -0.0051751700000000, -0.0008819600000000 ] - [ -0.0000774300000000, -0.0004614300000000, -0.0023544300000000 ] - [ 0.0025745000000000, -0.0017275200000000, 0.0044410100000000 ] - [ 0.0004317500000000, 0.0004895700000000, -0.0004679800000000 ] - [ 0.0013556100000000, 0.0046190100000000, -0.0040952900000000 ] - [ -0.0067408900000000, -0.0011593000000000, -0.0028467700000000 ] - [ 0.0001359500000000, -0.0003031500000000, -0.0010213100000000 ] - [ 0.0006173800000000, -0.0008172700000000, -0.0017555400000000 ]- atom: 57 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ -0.0037212200000000, -0.0008789000000000, -0.0004723800000000 ] - [ -0.0028899400000000, 0.0007210700000000, -0.0010593700000000 ] - [ 0.0008104900000000, 0.0003250700000000, 0.0000144700000000 ] - [ -0.0004920600000000, 0.0003234100000000, 0.0000138600000000 ] - [ -0.0014616800000000, 0.0032270600000000, -0.0010994800000000 ] - [ 0.0019558300000000, 0.0002966200000000, 0.0002265400000000 ] - [ -0.0002257500000000, -0.0002324900000000, 0.0005054500000000 ] - [ 0.0001315700000000, -0.0001814900000000, -0.0005848700000000 ] - [ 0.0000804500000000, 0.0001258000000000, -0.0011819300000000 ] - [ -0.0005990200000000, -0.0000138500000000, -0.0005098500000000 ] - [ 0.0000717800000000, -0.0003880400000000, -0.0002130600000000 ] - [ 0.0009074300000000, -0.0000920100000000, -0.0013498100000000 ] - [ 0.0028610200000000, -0.0002123000000000, -0.0006856300000000 ] - [ 0.0029998200000000, -0.0004216000000000, 0.0003635100000000 ] - [ -0.0007938100000000, -0.0001279300000000, 0.0003083300000000 ] - [ -0.0000130200000000, -0.0000635500000000, -0.0005065900000000 ] - [ -0.0006523900000000, -0.0015127400000000, -0.0025861000000000 ] - [ -0.0001389600000000, -0.0005280100000000, -0.0008395100000000 ] - [ -0.0004558800000000, 0.0004021500000000, -0.0004201700000000 ] - [ 0.0004840700000000, 0.0003034500000000, 0.0000355700000000 ] - [ -0.0003514000000000, -0.0004001500000000, 0.0001495400000000 ] - [ 0.0001311400000000, -0.0001917400000000, -0.0002291700000000 ] - [ -0.0002496900000000, -0.0001138200000000, -0.0003181200000000 ] - [ 0.0004130900000000, -0.0001863000000000, -0.0000203000000000 ] - [ 0.0012234800000000, -0.0000928200000000, 0.0002820600000000 ] - [ 0.0028465000000000, -0.0012804400000000, 0.0009853300000000 ] - [ 0.0003327300000000, 0.0003337500000000, 0.0003153500000000 ] - [ -0.0011526300000000, 0.0005116100000000, -0.0002570800000000 ] - [ 0.0031931300000000, 0.0009714000000000, -0.0000648700000000 ] - [ 0.0009148900000000, -0.0025469600000000, 0.0024599900000000 ] - [ 0.0003396000000000, 0.0004699300000000, 0.0002247000000000 ] - [ -0.0004320300000000, 0.0004007800000000, -0.0000669900000000 ] - [ 0.0000296200000000, 0.0001190800000000, -0.0001107100000000 ] - [ -0.0000615100000000, -0.0000313900000000, 0.0008466300000000 ] - [ -0.0009414700000000, -0.0000668900000000, 0.0020772500000000 ] - [ -0.0000488700000000, -0.0001226500000000, 0.0005116000000000 ] - [ -0.0001030800000000, 0.0006400800000000, 0.0008438100000000 ] - [ 0.0002077800000000, 0.0005715100000000, -0.0004464900000000 ] - [ -0.0002312600000000, 0.0007468100000000, 0.0006434200000000 ] - [ -0.0019442800000000, 0.0007200700000000, 0.0015647900000000 ] - [ -0.0001800300000000, 0.0001724000000000, -0.0001148000000000 ] - [ 0.0002529200000000, 0.0001131900000000, 0.0002117200000000 ] - [ -0.0048596500000000, 0.0012040500000000, 0.0011325400000000 ] - [ -0.0012117800000000, 0.0004473400000000, 0.0001547000000000 ] - [ 0.0006781700000000, -0.0000007000000000, 0.0007695300000000 ] - [ 0.0011390200000000, 0.0008185900000000, 0.0014141500000000 ] - [ -0.0001035000000000, -0.0006066800000000, 0.0001787100000000 ] - [ -0.0010945500000000, -0.0021404900000000, -0.0024825700000000 ] - [ 0.0006736200000000, -0.0001007000000000, 0.0000781900000000 ] - [ 0.0012322200000000, 0.0001437700000000, -0.0005247400000000 ] - [ -0.0002130800000000, 0.0001528500000000, -0.0000492200000000 ] - [ -0.0002549200000000, -0.0000533100000000, -0.0000229000000000 ] - [ 0.0012884300000000, 0.0004444100000000, 0.0002027600000000 ] - [ 0.0006724500000000, 0.0002502700000000, 0.0000265400000000 ] - [ -0.0003430300000000, -0.0005282700000000, -0.0000376500000000 ] - [ -0.0001414500000000, -0.0002905100000000, -0.0001224600000000 ] - [ -0.0152119700000000, -0.0005558600000000, -0.0002223300000000 ] - [ -0.0014472800000000, 0.0001777600000000, -0.0000054600000000 ] - [ 0.0001974800000000, -0.0001834100000000, -0.0000178900000000 ] - [ -0.0000336900000000, -0.0002059900000000, 0.0000001900000000 ] - [ 0.0003627900000000, -0.0020652900000000, 0.0035785300000000 ] - [ -0.0015650700000000, -0.0011677100000000, 0.0031778400000000 ] - [ -0.0001922200000000, 0.0001183900000000, 0.0007743700000000 ] - [ 0.0009350300000000, 0.0002370700000000, -0.0000222100000000 ] - [ -0.0007834400000000, -0.0018876700000000, -0.0018233900000000 ] - [ -0.0019389500000000, -0.0002763500000000, -0.0013816100000000 ] - [ 0.0000931100000000, 0.0000111400000000, -0.0008355500000000 ] - [ 0.0005359500000000, 0.0002375600000000, -0.0002232500000000 ] - [ 0.0037500500000000, 0.0009054200000000, 0.0002915500000000 ] - [ 0.0055826800000000, 0.0047747100000000, -0.0000242800000000 ] - [ -0.0003257700000000, 0.0000915800000000, 0.0000477400000000 ] - [ 0.0000822400000000, 0.0000353500000000, -0.0000058200000000 ] - [ -0.0010839500000000, 0.0047962800000000, 0.0039945000000000 ] - [ -0.0027709200000000, 0.0030234300000000, 0.0027670600000000 ] - [ 0.0003134100000000, -0.0001840600000000, 0.0008505100000000 ] - [ -0.0000331600000000, -0.0001874300000000, 0.0006338500000000 ] - [ 0.0007025800000000, -0.0005883500000000, 0.0001587300000000 ] - [ 0.0001775700000000, -0.0002498400000000, -0.0008901200000000 ] - [ -0.0018159000000000, 0.0022669800000000, -0.0069677700000000 ] - [ -0.0014121100000000, 0.0009365000000000, -0.0038950500000000 ] - [ 0.0057528000000000, -0.0024905900000000, -0.0003202600000000 ] - [ 0.0098277500000000, -0.0081021900000000, 0.0004515100000000 ] - [ -0.0001822300000000, -0.0004184300000000, 0.0000501200000000 ] - [ -0.0000260800000000, -0.0005988100000000, -0.0003057300000000 ]- atom: 57 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ 0.0024064600000000, 0.0002183700000000, 0.0004941700000000 ] - [ 0.0041985400000000, -0.0013632400000000, 0.0010361000000000 ] - [ 0.0004876700000000, 0.0003228900000000, -0.0000267800000000 ] - [ -0.0008124800000000, 0.0003264500000000, 0.0000003900000000 ] - [ 0.0017556600000000, -0.0028149100000000, 0.0000500500000000 ] - [ -0.0021716900000000, -0.0000099800000000, 0.0008697100000000 ] - [ -0.0001012600000000, -0.0001747200000000, 0.0005532600000000 ] - [ 0.0002097200000000, -0.0002309300000000, -0.0004677600000000 ] - [ 0.0006723100000000, -0.0002757400000000, 0.0002345700000000 ] - [ -0.0001501000000000, -0.0001280100000000, 0.0014504200000000 ] - [ -0.0008397900000000, 0.0005406500000000, 0.0011543500000000 ] - [ -0.0001546900000000, 0.0002324300000000, 0.0003930700000000 ] - [ -0.0021487700000000, 0.0004032600000000, -0.0001246900000000 ] - [ -0.0037018200000000, 0.0006139400000000, 0.0004795800000000 ] - [ 0.0000846000000000, -0.0000634700000000, 0.0005350100000000 ] - [ 0.0007315700000000, -0.0001287800000000, -0.0003319500000000 ] - [ 0.0015392500000000, 0.0008849300000000, 0.0030388700000000 ] - [ -0.0007482100000000, -0.0001226600000000, 0.0004129000000000 ] - [ -0.0004470500000000, 0.0002372000000000, -0.0000002300000000 ] - [ 0.0004045500000000, 0.0003428200000000, 0.0003904400000000 ] - [ 0.0001813600000000, -0.0006496400000000, -0.0001291100000000 ] - [ 0.0004876600000000, 0.0005036700000000, 0.0005915000000000 ] - [ -0.0003817200000000, -0.0001926700000000, -0.0000309200000000 ] - [ 0.0002158400000000, -0.0001162800000000, 0.0003663300000000 ] - [ -0.0027797700000000, -0.0007397700000000, -0.0007777400000000 ] - [ -0.0012925800000000, 0.0004441100000000, -0.0005023200000000 ] - [ 0.0012271400000000, 0.0005069600000000, 0.0001700500000000 ] - [ -0.0003947400000000, 0.0003285300000000, -0.0002315600000000 ] - [ -0.0041158800000000, -0.0020163400000000, -0.0001342400000000 ] - [ -0.0000877200000000, 0.0016615700000000, -0.0021487200000000 ] - [ 0.0004548600000000, 0.0004155800000000, 0.0000787100000000 ] - [ -0.0003588300000000, 0.0004826800000000, -0.0002392900000000 ] - [ 0.0001684000000000, -0.0001707300000000, -0.0008910500000000 ] - [ -0.0001459100000000, -0.0000177100000000, 0.0001569200000000 ] - [ 0.0007321200000000, 0.0001076400000000, -0.0010914800000000 ] - [ 0.0002595900000000, 0.0001596400000000, -0.0014906700000000 ] - [ -0.0002199500000000, 0.0005854900000000, 0.0005075800000000 ] - [ 0.0001102700000000, 0.0006420200000000, -0.0008961200000000 ] - [ 0.0005359200000000, -0.0019466600000000, -0.0019980500000000 ] - [ 0.0016518200000000, -0.0019463400000000, -0.0002213400000000 ] - [ -0.0002612800000000, 0.0001336100000000, -0.0002040800000000 ] - [ 0.0001887300000000, 0.0001959800000000, 0.0001128100000000 ] - [ 0.0053022400000000, -0.0014986300000000, -0.0007910300000000 ] - [ 0.0007632300000000, -0.0007585800000000, -0.0004813300000000 ] - [ -0.0008296000000000, 0.0010691300000000, -0.0007354900000000 ] - [ -0.0009948000000000, 0.0002439500000000, -0.0014410700000000 ] - [ 0.0002764500000000, -0.0004433100000000, -0.0001982400000000 ] - [ 0.0004670800000000, 0.0024360700000000, 0.0021046500000000 ] - [ -0.0006650900000000, 0.0000347500000000, -0.0000569400000000 ] - [ -0.0012418100000000, -0.0002081300000000, 0.0004999800000000 ] - [ 0.0002037600000000, -0.0000875800000000, 0.0000300000000000 ] - [ 0.0002648600000000, 0.0001235300000000, 0.0000406400000000 ] - [ -0.0011495500000000, 0.0003305300000000, -0.0003401500000000 ] - [ -0.0008129100000000, 0.0005269800000000, 0.0001149500000000 ] - [ 0.0002032300000000, -0.0002495200000000, 0.0001817400000000 ] - [ 0.0002814200000000, -0.0004892500000000, -0.0000213500000000 ] - [ 0.0148936000000000, 0.0012370800000000, 0.0000352500000000 ] - [ 0.0016773800000000, 0.0002108000000000, -0.0000139500000000 ] - [ 0.0000301900000000, -0.0002060500000000, -0.0000005000000000 ] - [ -0.0001954300000000, -0.0001830300000000, 0.0000184500000000 ] - [ 0.0008012600000000, 0.0018215000000000, -0.0043171600000000 ] - [ 0.0004232200000000, 0.0009084200000000, -0.0024648400000000 ] - [ -0.0009512300000000, 0.0001348900000000, -0.0000518000000000 ] - [ 0.0002027500000000, 0.0000188900000000, -0.0006883700000000 ] - [ 0.0013414500000000, 0.0015648600000000, 0.0023497300000000 ] - [ 0.0013841800000000, -0.0000443500000000, 0.0008619500000000 ] - [ -0.0006266500000000, 0.0003087400000000, 0.0003202900000000 ] - [ -0.0000024700000000, 0.0000830900000000, 0.0007386300000000 ] - [ -0.0033234200000000, -0.0010408500000000, -0.0003452900000000 ] - [ -0.0059660000000000, -0.0048379600000000, 0.0000791700000000 ] - [ -0.0000974100000000, 0.0000306200000000, 0.0000117800000000 ] - [ 0.0003395800000000, 0.0000904900000000, -0.0000517400000000 ] - [ 0.0008667900000000, -0.0045838600000000, -0.0044018700000000 ] - [ 0.0029968500000000, -0.0027636900000000, -0.0023566100000000 ] - [ -0.0000361700000000, -0.0000595000000000, -0.0004615200000000 ] - [ -0.0002368800000000, -0.0000581200000000, -0.0010321600000000 ] - [ -0.0002562300000000, -0.0002277300000000, 0.0007870600000000 ] - [ -0.0006287900000000, -0.0005696000000000, -0.0000479400000000 ] - [ 0.0013800600000000, -0.0014500900000000, 0.0060209200000000 ] - [ 0.0018385600000000, -0.0001265400000000, 0.0048373300000000 ] - [ -0.0055786500000000, 0.0035825600000000, -0.0001023700000000 ] - [ -0.0099412300000000, 0.0090383000000000, -0.0000257800000000 ] - [ 0.0000091600000000, -0.0006350400000000, 0.0003566700000000 ] - [ 0.0001972100000000, -0.0004556300000000, -0.0001003600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004893400000000, -0.0003177600000000, -0.0000073300000000 ] - [ 0.0021409400000000, -0.0002127300000000, -0.0001833500000000 ] - [ 0.0007276200000000, 0.0003170200000000, -0.0000556500000000 ] - [ -0.0005938100000000, 0.0003380800000000, -0.0000179800000000 ] - [ 0.0038749100000000, -0.0020522000000000, -0.0003238300000000 ] - [ -0.0002857200000000, 0.0031546000000000, -0.0004245000000000 ] - [ -0.0001599200000000, -0.0002184300000000, 0.0003743600000000 ] - [ 0.0001570100000000, -0.0001913300000000, -0.0006266800000000 ] - [ 0.0006060300000000, -0.0000337600000000, 0.0001863300000000 ] - [ -0.0002153000000000, -0.0001119500000000, 0.0011814400000000 ] - [ -0.0015085600000000, 0.0001774100000000, -0.0013996000000000 ] - [ -0.0002553800000000, -0.0000461600000000, -0.0017963700000000 ] - [ -0.0008287100000000, -0.0021384900000000, -0.0037985500000000 ] - [ -0.0006680200000000, 0.0045800300000000, 0.0030315600000000 ] - [ -0.0004612700000000, -0.0001335500000000, 0.0006418800000000 ] - [ 0.0002670600000000, -0.0000436300000000, -0.0001845600000000 ] - [ -0.0005044200000000, 0.0020132000000000, -0.0000848800000000 ] - [ -0.0011404400000000, -0.0024672000000000, -0.0002612300000000 ] - [ -0.0004397300000000, 0.0007643200000000, -0.0001242400000000 ] - [ 0.0004171200000000, -0.0000761700000000, 0.0002872100000000 ] - [ -0.0000957300000000, -0.0000935200000000, -0.0000552600000000 ] - [ -0.0009531200000000, -0.0006190000000000, -0.0000794800000000 ] - [ -0.0003729000000000, -0.0002475200000000, -0.0000249900000000 ] - [ 0.0002479100000000, -0.0000812400000000, 0.0003253900000000 ] - [ -0.0006877900000000, -0.0004154100000000, 0.0018613200000000 ] - [ 0.0012420300000000, -0.0011481700000000, 0.0015923600000000 ] - [ 0.0007047900000000, 0.0004768000000000, 0.0001292700000000 ] - [ -0.0008336400000000, 0.0003468300000000, -0.0003597600000000 ] - [ 0.0014793300000000, 0.0030058000000000, -0.0002985500000000 ] - [ -0.0017563600000000, -0.0031070200000000, 0.0032659300000000 ] - [ 0.0004469600000000, 0.0004852800000000, 0.0000186800000000 ] - [ -0.0003486300000000, 0.0003975400000000, -0.0003088700000000 ] - [ 0.0003679300000000, 0.0000471900000000, -0.0009918900000000 ] - [ 0.0002878400000000, -0.0001061800000000, -0.0000704000000000 ] - [ -0.0009664100000000, 0.0001180400000000, 0.0024185900000000 ] - [ -0.0007112000000000, -0.0000793000000000, 0.0009477800000000 ] - [ -0.0001264800000000, 0.0005659600000000, 0.0008643700000000 ] - [ 0.0001951400000000, 0.0006448700000000, -0.0005184300000000 ] - [ 0.0008963800000000, -0.0011768300000000, -0.0019154600000000 ] - [ 0.0008405900000000, -0.0004773300000000, -0.0003862100000000 ] - [ -0.0002208600000000, 0.0003500200000000, -0.0001048600000000 ] - [ 0.0002374400000000, -0.0000502600000000, 0.0002056600000000 ] - [ 0.0009610100000000, 0.0031331600000000, -0.0005973300000000 ] - [ 0.0002275500000000, -0.0027640100000000, -0.0010535700000000 ] - [ 0.0003288400000000, -0.0017739700000000, 0.0008409100000000 ] - [ 0.0003758000000000, 0.0028245200000000, 0.0009047500000000 ] - [ 0.0000763400000000, -0.0009868900000000, -0.0000570900000000 ] - [ -0.0016645600000000, 0.0001641000000000, -0.0012716900000000 ] - [ 0.0000998300000000, 0.0005334600000000, 0.0000133400000000 ] - [ 0.0001211600000000, -0.0005832000000000, 0.0000042800000000 ] - [ -0.0000773400000000, 0.0004329500000000, 0.0000143900000000 ] - [ -0.0000839000000000, -0.0004935400000000, -0.0000082900000000 ] - [ 0.0001759200000000, -0.0004530500000000, -0.0000977600000000 ] - [ 0.0000127400000000, 0.0011383200000000, 0.0000192100000000 ] - [ -0.0001710800000000, -0.0006791000000000, 0.0000895800000000 ] - [ -0.0000466500000000, -0.0000444600000000, -0.0000448900000000 ] - [ -0.0009964900000000, -0.0155475500000000, -0.0011977100000000 ] - [ 0.0001309800000000, 0.0040654600000000, 0.0000447400000000 ] - [ 0.0001254600000000, -0.0003267700000000, -0.0000220000000000 ] - [ -0.0001035500000000, -0.0000618000000000, -0.0000036000000000 ] - [ -0.0018228600000000, -0.0012354100000000, -0.0038168400000000 ] - [ -0.0014470800000000, 0.0019661200000000, -0.0020416700000000 ] - [ -0.0002563200000000, -0.0003873900000000, 0.0008120000000000 ] - [ 0.0008157500000000, 0.0005630400000000, 0.0000282100000000 ] - [ -0.0011937500000000, -0.0011996900000000, 0.0032572900000000 ] - [ -0.0016764300000000, 0.0020853300000000, 0.0017746200000000 ] - [ -0.0001041700000000, -0.0003332700000000, -0.0007859200000000 ] - [ 0.0004577800000000, 0.0006457000000000, -0.0002708400000000 ] - [ 0.0019095600000000, 0.0023837800000000, 0.0002182700000000 ] - [ 0.0035692300000000, -0.0012326700000000, -0.0000854100000000 ] - [ -0.0002150800000000, 0.0001970900000000, -0.0000081300000000 ] - [ 0.0002133500000000, -0.0000860500000000, -0.0000549600000000 ] - [ 0.0059856100000000, -0.0001046000000000, 0.0042070800000000 ] - [ 0.0041787700000000, 0.0023611500000000, 0.0037355800000000 ] - [ 0.0003505500000000, -0.0003139300000000, -0.0004015000000000 ] - [ 0.0001540800000000, 0.0000788500000000, -0.0007387000000000 ] - [ -0.0000873500000000, -0.0006699800000000, 0.0007406700000000 ] - [ -0.0005841100000000, -0.0000927700000000, -0.0002265900000000 ] - [ 0.0003327500000000, -0.0000097100000000, -0.0079067000000000 ] - [ 0.0010514300000000, 0.0030442800000000, -0.0059343100000000 ] - [ -0.0047619000000000, 0.0030043300000000, 0.0030824600000000 ] - [ -0.0076926100000000, -0.0003352200000000, 0.0039839100000000 ] - [ -0.0001858000000000, -0.0003332600000000, 0.0001981300000000 ] - [ 0.0000245800000000, -0.0007112000000000, -0.0002731000000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018043400000000, -0.0003361200000000, 0.0000275400000000 ] - [ -0.0008275800000000, -0.0004440900000000, 0.0001649200000000 ] - [ 0.0005853200000000, 0.0003370100000000, 0.0000305700000000 ] - [ -0.0007115400000000, 0.0003145100000000, 0.0000386800000000 ] - [ -0.0035584800000000, 0.0024946300000000, -0.0007337400000000 ] - [ 0.0001257400000000, -0.0029356400000000, 0.0015527400000000 ] - [ -0.0001578800000000, -0.0001915200000000, 0.0006756600000000 ] - [ 0.0001677000000000, -0.0002192300000000, -0.0004244400000000 ] - [ 0.0001500000000000, -0.0001122200000000, -0.0011359400000000 ] - [ -0.0005372200000000, -0.0000348900000000, -0.0002179400000000 ] - [ 0.0007551600000000, -0.0000310200000000, 0.0023474300000000 ] - [ 0.0010012200000000, 0.0001925600000000, 0.0008367200000000 ] - [ 0.0015306900000000, 0.0023293400000000, 0.0029429200000000 ] - [ -0.0000735600000000, -0.0045949400000000, -0.0024403300000000 ] - [ -0.0002428600000000, -0.0000429200000000, 0.0001821600000000 ] - [ 0.0004434500000000, -0.0001373100000000, -0.0006440000000000 ] - [ 0.0013941900000000, -0.0026553800000000, 0.0005017200000000 ] - [ 0.0002460800000000, 0.0018137600000000, -0.0001664000000000 ] - [ -0.0004545500000000, -0.0001149500000000, -0.0003022500000000 ] - [ 0.0004741900000000, 0.0007218700000000, 0.0001393700000000 ] - [ -0.0000592000000000, -0.0009691700000000, 0.0000900800000000 ] - [ 0.0015848800000000, 0.0009292300000000, 0.0004484000000000 ] - [ -0.0002598700000000, -0.0000650700000000, -0.0003296900000000 ] - [ 0.0003894800000000, -0.0002399300000000, 0.0000360800000000 ] - [ -0.0008636700000000, -0.0004039800000000, -0.0023374800000000 ] - [ 0.0003082400000000, 0.0003083700000000, -0.0011104600000000 ] - [ 0.0008436300000000, 0.0003555700000000, 0.0003502300000000 ] - [ -0.0007143800000000, 0.0004857000000000, -0.0001222400000000 ] - [ -0.0024426000000000, -0.0040537100000000, 0.0001127200000000 ] - [ 0.0025589900000000, 0.0022226700000000, -0.0029466300000000 ] - [ 0.0003542500000000, 0.0004035900000000, 0.0002845400000000 ] - [ -0.0004583500000000, 0.0004948500000000, 0.0000090600000000 ] - [ -0.0001709600000000, -0.0000914400000000, 0.0000051800000000 ] - [ -0.0004857200000000, 0.0000561400000000, 0.0010645800000000 ] - [ 0.0007667000000000, -0.0000667200000000, -0.0014181700000000 ] - [ 0.0009002400000000, 0.0001298600000000, -0.0019278900000000 ] - [ -0.0001830700000000, 0.0006509700000000, 0.0004905500000000 ] - [ 0.0001042400000000, 0.0005639800000000, -0.0008346500000000 ] - [ -0.0005964800000000, -0.0000381000000000, 0.0005617200000000 ] - [ -0.0011491000000000, -0.0007255700000000, 0.0017307800000000 ] - [ -0.0002223100000000, -0.0000470700000000, -0.0002313900000000 ] - [ 0.0002063200000000, 0.0003626300000000, 0.0001289100000000 ] - [ -0.0004980900000000, -0.0034324400000000, 0.0009348900000000 ] - [ -0.0006666800000000, 0.0024545600000000, 0.0007136100000000 ] - [ -0.0004849900000000, 0.0028275700000000, -0.0008015800000000 ] - [ -0.0002176800000000, -0.0017714400000000, -0.0009200800000000 ] - [ 0.0000851500000000, -0.0000722600000000, 0.0000274700000000 ] - [ 0.0010282800000000, 0.0001672200000000, 0.0009059500000000 ] - [ -0.0000908400000000, -0.0005978400000000, 0.0000075200000000 ] - [ -0.0001307900000000, 0.0005155000000000, -0.0000224700000000 ] - [ 0.0000678400000000, -0.0003689200000000, -0.0000363000000000 ] - [ 0.0000927400000000, 0.0005559400000000, 0.0000304000000000 ] - [ -0.0000383000000000, 0.0012314700000000, -0.0000477000000000 ] - [ -0.0001508100000000, -0.0003578400000000, 0.0001241400000000 ] - [ 0.0000323800000000, -0.0000978900000000, 0.0000507600000000 ] - [ 0.0001838600000000, -0.0007319200000000, -0.0000981800000000 ] - [ 0.0007949400000000, 0.0163974400000000, 0.0012577400000000 ] - [ 0.0000961300000000, -0.0036753600000000, -0.0000607500000000 ] - [ 0.0001032700000000, -0.0000624300000000, 0.0000033500000000 ] - [ -0.0001253000000000, -0.0003254300000000, 0.0000233000000000 ] - [ 0.0029613700000000, 0.0009598800000000, 0.0030813600000000 ] - [ 0.0003137500000000, -0.0022200700000000, 0.0027579800000000 ] - [ -0.0008890800000000, 0.0006411100000000, -0.0000843900000000 ] - [ 0.0003235000000000, -0.0003060800000000, -0.0007406200000000 ] - [ 0.0017237700000000, 0.0008576500000000, -0.0027319300000000 ] - [ 0.0011388500000000, -0.0024048700000000, -0.0023019100000000 ] - [ -0.0004290400000000, 0.0006575300000000, 0.0002656600000000 ] - [ 0.0000793000000000, -0.0003210900000000, 0.0007861900000000 ] - [ -0.0014912000000000, -0.0025018600000000, -0.0002721900000000 ] - [ -0.0039781000000000, 0.0010840500000000, 0.0001466700000000 ] - [ -0.0002101700000000, -0.0000757400000000, 0.0000659200000000 ] - [ 0.0002112700000000, 0.0002115600000000, -0.0000031100000000 ] - [ -0.0062557800000000, 0.0003636500000000, -0.0046123900000000 ] - [ -0.0038860700000000, -0.0021281900000000, -0.0033153300000000 ] - [ -0.0000776700000000, 0.0000711900000000, 0.0007970900000000 ] - [ -0.0004185600000000, -0.0003144600000000, 0.0003313200000000 ] - [ 0.0005302200000000, -0.0001441800000000, 0.0001976000000000 ] - [ 0.0001407700000000, -0.0007174500000000, -0.0007115700000000 ] - [ -0.0007836900000000, 0.0008457600000000, 0.0069717700000000 ] - [ -0.0006062500000000, -0.0022312600000000, 0.0068242600000000 ] - [ 0.0049197500000000, -0.0019536900000000, -0.0034712400000000 ] - [ 0.0075238500000000, 0.0014175300000000, -0.0035768700000000 ] - [ 0.0000047800000000, -0.0007166000000000, 0.0002092500000000 ] - [ 0.0001563000000000, -0.0003465700000000, -0.0001351900000000 ]- atom: 57 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ 0.0009097000000000, -0.0000287200000000, 0.0016220700000000 ] - [ 0.0023482500000000, -0.0010961600000000, 0.0020413700000000 ] - [ 0.0004294100000000, 0.0003399900000000, -0.0007563100000000 ] - [ -0.0008707400000000, 0.0002967600000000, -0.0007583700000000 ] - [ -0.0004981000000000, -0.0004673900000000, 0.0028243900000000 ] - [ -0.0018813800000000, -0.0006982000000000, 0.0046587300000000 ] - [ 0.0001503900000000, -0.0003187000000000, -0.0005749400000000 ] - [ 0.0004714700000000, -0.0001141400000000, -0.0014606100000000 ] - [ 0.0001244200000000, 0.0001236200000000, -0.0008751500000000 ] - [ -0.0004694100000000, -0.0000306300000000, 0.0002044900000000 ] - [ -0.0014537600000000, -0.0000171800000000, -0.0009065900000000 ] - [ -0.0004410500000000, -0.0000585800000000, -0.0010474400000000 ] - [ -0.0017989900000000, -0.0020511900000000, -0.0012227400000000 ] - [ -0.0021551600000000, 0.0025742600000000, 0.0047368200000000 ] - [ -0.0001275300000000, -0.0000505600000000, -0.0000922300000000 ] - [ 0.0004038800000000, -0.0000947400000000, -0.0009436800000000 ] - [ -0.0011148500000000, -0.0001029400000000, 0.0006619300000000 ] - [ -0.0013477400000000, -0.0008386200000000, 0.0002008000000000 ] - [ -0.0006023000000000, 0.0004566000000000, -0.0007382800000000 ] - [ 0.0003780800000000, 0.0002724500000000, -0.0002190000000000 ] - [ 0.0001566800000000, -0.0007566200000000, -0.0005840000000000 ] - [ -0.0012850800000000, -0.0008042000000000, 0.0020045400000000 ] - [ -0.0001962100000000, 0.0000530600000000, -0.0009570200000000 ] - [ 0.0003808500000000, -0.0002379300000000, -0.0006140600000000 ] - [ -0.0011074100000000, 0.0018097500000000, -0.0023143900000000 ] - [ -0.0005508100000000, 0.0006907200000000, -0.0004861500000000 ] - [ 0.0008997600000000, 0.0003655500000000, -0.0002810800000000 ] - [ -0.0005153000000000, 0.0003804700000000, -0.0006539600000000 ] - [ -0.0021835100000000, -0.0013094200000000, 0.0033334600000000 ] - [ 0.0015691800000000, 0.0020178200000000, 0.0008416700000000 ] - [ 0.0003085700000000, 0.0003541800000000, -0.0009720000000000 ] - [ -0.0004514300000000, 0.0004907100000000, -0.0012688800000000 ] - [ 0.0007956700000000, -0.0003766900000000, -0.0016747200000000 ] - [ 0.0005859600000000, -0.0001324500000000, -0.0006007400000000 ] - [ 0.0015171600000000, 0.0006084900000000, -0.0010144300000000 ] - [ 0.0011874000000000, 0.0003574900000000, -0.0012925000000000 ] - [ -0.0002557300000000, 0.0003477800000000, -0.0003351800000000 ] - [ 0.0000438800000000, 0.0010001800000000, -0.0019546100000000 ] - [ 0.0007057000000000, -0.0009747100000000, 0.0006678400000000 ] - [ 0.0017714500000000, -0.0025392800000000, 0.0020213900000000 ] - [ -0.0001664400000000, 0.0002310900000000, -0.0008657000000000 ] - [ 0.0002141000000000, 0.0001382000000000, -0.0005590700000000 ] - [ 0.0042470000000000, -0.0018143200000000, 0.0020156500000000 ] - [ 0.0002646500000000, 0.0000651800000000, 0.0011373700000000 ] - [ 0.0000086300000000, 0.0011710400000000, -0.0004449900000000 ] - [ 0.0014320700000000, 0.0014413900000000, -0.0035012500000000 ] - [ 0.0002457200000000, -0.0004899500000000, -0.0004560000000000 ] - [ -0.0017875200000000, 0.0003189000000000, 0.0015739800000000 ] - [ -0.0003111300000000, -0.0000420500000000, -0.0001964100000000 ] - [ -0.0004749500000000, -0.0002580000000000, 0.0001614400000000 ] - [ 0.0000575800000000, -0.0000558000000000, 0.0006634600000000 ] - [ 0.0000455300000000, 0.0001924600000000, 0.0010724100000000 ] - [ -0.0004978600000000, 0.0002451900000000, -0.0003187700000000 ] - [ -0.0003657200000000, 0.0004906400000000, -0.0001522600000000 ] - [ 0.0001754500000000, -0.0001896600000000, 0.0010730900000000 ] - [ 0.0001227500000000, -0.0003929000000000, 0.0005970600000000 ] - [ 0.0073279100000000, -0.0002389900000000, -0.0138144000000000 ] - [ 0.0008888300000000, 0.0001587000000000, -0.0017719400000000 ] - [ 0.0000654400000000, -0.0002119500000000, 0.0005610000000000 ] - [ -0.0001617400000000, -0.0001785000000000, 0.0005595300000000 ] - [ 0.0037676200000000, -0.0021345200000000, -0.0010626100000000 ] - [ 0.0010968000000000, -0.0001596000000000, -0.0008224100000000 ] - [ -0.0003664200000000, 0.0000866800000000, 0.0014630700000000 ] - [ 0.0006354400000000, 0.0001338400000000, 0.0005377400000000 ] - [ -0.0020036500000000, 0.0032495000000000, 0.0033248400000000 ] - [ -0.0018664100000000, 0.0011982600000000, 0.0010250400000000 ] - [ -0.0006347200000000, 0.0002770600000000, 0.0012124700000000 ] - [ 0.0001547900000000, -0.0000026100000000, 0.0014219000000000 ] - [ -0.0025358500000000, -0.0013419300000000, -0.0031832500000000 ] - [ -0.0036625800000000, -0.0023482200000000, -0.0035362800000000 ] - [ -0.0000295100000000, 0.0001484800000000, 0.0010892700000000 ] - [ 0.0004193800000000, -0.0000093300000000, 0.0010173000000000 ] - [ 0.0062253700000000, 0.0021660400000000, 0.0010845600000000 ] - [ 0.0045251400000000, 0.0006113900000000, 0.0009532900000000 ] - [ 0.0001628700000000, -0.0004894300000000, 0.0013102100000000 ] - [ -0.0002396900000000, 0.0000648000000000, 0.0007173900000000 ] - [ -0.0005807900000000, -0.0002353900000000, 0.0021388600000000 ] - [ -0.0008992200000000, -0.0002071100000000, 0.0011192700000000 ] - [ -0.0033422300000000, -0.0061760900000000, 0.0063937200000000 ] - [ -0.0022402300000000, -0.0036324100000000, 0.0027417300000000 ] - [ -0.0016428000000000, 0.0031682600000000, -0.0049494300000000 ] - [ -0.0038286400000000, 0.0068345900000000, -0.0062159100000000 ] - [ -0.0002621400000000, -0.0008490600000000, 0.0021101100000000 ] - [ -0.0000142200000000, -0.0003747000000000, 0.0015544900000000 ]- atom: 57 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ -0.0022139200000000, -0.0006197500000000, -0.0016354300000000 ] - [ -0.0010457900000000, 0.0004564500000000, -0.0020366400000000 ] - [ 0.0008627700000000, 0.0003036800000000, 0.0007747600000000 ] - [ -0.0004242600000000, 0.0003444900000000, 0.0007471500000000 ] - [ 0.0008106800000000, 0.0009146900000000, -0.0038522300000000 ] - [ 0.0015466000000000, 0.0011345200000000, -0.0036361100000000 ] - [ -0.0004892400000000, -0.0001092100000000, 0.0016072100000000 ] - [ -0.0001301300000000, -0.0003159600000000, 0.0004298500000000 ] - [ 0.0006111800000000, -0.0002460700000000, -0.0000664400000000 ] - [ -0.0002691300000000, -0.0000919500000000, 0.0007404900000000 ] - [ 0.0007186900000000, 0.0001402600000000, 0.0018305700000000 ] - [ 0.0011699100000000, 0.0001759400000000, 0.0001218500000000 ] - [ 0.0024900000000000, 0.0022512500000000, 0.0003810400000000 ] - [ 0.0014180100000000, -0.0025432300000000, -0.0040308100000000 ] - [ -0.0005640700000000, -0.0001485100000000, 0.0009532200000000 ] - [ 0.0002745900000000, -0.0001022600000000, 0.0000822100000000 ] - [ 0.0020061500000000, -0.0005514100000000, -0.0002588300000000 ] - [ 0.0004501600000000, 0.0001915400000000, -0.0006120300000000 ] - [ -0.0002762500000000, 0.0001867500000000, 0.0003199600000000 ] - [ 0.0005166400000000, 0.0003788000000000, 0.0006335000000000 ] - [ -0.0003442800000000, -0.0003067600000000, 0.0005958900000000 ] - [ 0.0019020700000000, 0.0010596000000000, -0.0016690900000000 ] - [ -0.0004238400000000, -0.0003120200000000, 0.0006255400000000 ] - [ 0.0002379900000000, -0.0000160700000000, 0.0009407900000000 ] - [ -0.0004257500000000, -0.0027118300000000, 0.0018253600000000 ] - [ 0.0020925200000000, -0.0015535600000000, 0.0009849600000000 ] - [ 0.0006365000000000, 0.0005157700000000, 0.0007800400000000 ] - [ -0.0010225700000000, 0.0004839700000000, 0.0001634900000000 ] - [ 0.0012479600000000, 0.0002330100000000, -0.0035102700000000 ] - [ -0.0007894200000000, -0.0029026000000000, -0.0005705700000000 ] - [ 0.0004628800000000, 0.0005306700000000, 0.0012804900000000 ] - [ -0.0003223100000000, 0.0003971900000000, 0.0009859800000000 ] - [ -0.0005551100000000, 0.0003504100000000, 0.0006879800000000 ] - [ -0.0008330400000000, 0.0001161600000000, 0.0015919200000000 ] - [ -0.0017569800000000, -0.0005747000000000, 0.0020132900000000 ] - [ -0.0009544000000000, -0.0003353800000000, 0.0002957400000000 ] - [ -0.0000517200000000, 0.0008887300000000, 0.0017270900000000 ] - [ 0.0002710600000000, 0.0002348400000000, 0.0005761000000000 ] - [ -0.0003940800000000, -0.0002475300000000, -0.0020526400000000 ] - [ -0.0020762600000000, 0.0012898500000000, -0.0006377900000000 ] - [ -0.0002479600000000, 0.0000861200000000, 0.0005684200000000 ] - [ 0.0001989000000000, 0.0001778200000000, 0.0008675300000000 ] - [ -0.0038343500000000, 0.0015140200000000, -0.0017474900000000 ] - [ -0.0006800900000000, -0.0003832800000000, -0.0014416800000000 ] - [ -0.0001943200000000, -0.0001323100000000, 0.0004609000000000 ] - [ -0.0012328700000000, -0.0003731400000000, 0.0034552700000000 ] - [ -0.0000580300000000, -0.0005786600000000, 0.0004405500000000 ] - [ 0.0011731100000000, -0.0000548500000000, -0.0018955700000000 ] - [ 0.0003209900000000, -0.0000218000000000, 0.0002196400000000 ] - [ 0.0004675000000000, 0.0001916900000000, -0.0001856300000000 ] - [ -0.0000675100000000, 0.0001175900000000, -0.0006907400000000 ] - [ -0.0000351200000000, -0.0001313700000000, -0.0010493200000000 ] - [ 0.0006298800000000, 0.0005349200000000, 0.0001749800000000 ] - [ 0.0002298800000000, 0.0002907600000000, 0.0002968100000000 ] - [ -0.0003110000000000, -0.0005870500000000, -0.0009277100000000 ] - [ 0.0000145400000000, -0.0003851800000000, -0.0007377500000000 ] - [ -0.0072712600000000, 0.0010116600000000, 0.0137639100000000 ] - [ -0.0006604300000000, 0.0002308000000000, 0.0017508100000000 ] - [ 0.0001625200000000, -0.0001778800000000, -0.0005792800000000 ] - [ -0.0000662700000000, -0.0002106800000000, -0.0005390300000000 ] - [ -0.0026305400000000, 0.0018823500000000, 0.0003596100000000 ] - [ -0.0022369400000000, -0.0000919300000000, 0.0015238600000000 ] - [ -0.0007845700000000, 0.0001620700000000, -0.0007316600000000 ] - [ 0.0005090400000000, 0.0001192400000000, -0.0012551200000000 ] - [ 0.0025266300000000, -0.0035288000000000, -0.0027785100000000 ] - [ 0.0013220100000000, -0.0015327600000000, -0.0015406200000000 ] - [ 0.0000913400000000, 0.0000467300000000, -0.0017287700000000 ] - [ 0.0003848300000000, 0.0003261800000000, -0.0009074100000000 ] - [ 0.0029734200000000, 0.0012111700000000, 0.0031193700000000 ] - [ 0.0032214700000000, 0.0022228400000000, 0.0036162100000000 ] - [ -0.0004078300000000, -0.0000189200000000, -0.0010260900000000 ] - [ 0.0000162000000000, 0.0001414200000000, -0.0010788800000000 ] - [ -0.0064814600000000, -0.0019305500000000, -0.0014566800000000 ] - [ -0.0042594000000000, -0.0003879500000000, -0.0005668300000000 ] - [ 0.0000978200000000, 0.0002604000000000, -0.0009123900000000 ] - [ -0.0000161100000000, -0.0002985600000000, -0.0011249400000000 ] - [ 0.0010119500000000, -0.0005732600000000, -0.0012022700000000 ] - [ 0.0004603800000000, -0.0006035500000000, -0.0020592200000000 ] - [ 0.0028539700000000, 0.0068875600000000, -0.0073010100000000 ] - [ 0.0026988300000000, 0.0044970800000000, -0.0018035200000000 ] - [ 0.0018548300000000, -0.0020971300000000, 0.0045071300000000 ] - [ 0.0036132600000000, -0.0058134300000000, 0.0066704200000000 ] - [ 0.0000664500000000, -0.0002065600000000, -0.0017012600000000 ] - [ 0.0002124800000000, -0.0006825300000000, -0.0019536500000000 ]- atom: 61 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ -0.0029840100000000, 0.0006285900000000, 0.0038671100000000 ] - [ -0.0004906700000000, -0.0001739200000000, -0.0004470600000000 ] - [ 0.0012937700000000, 0.0004539500000000, 0.0000929900000000 ] - [ 0.0001844000000000, 0.0001494400000000, 0.0000748800000000 ] - [ 0.0049737200000000, 0.0038521000000000, 0.0058901300000000 ] - [ -0.0003011500000000, 0.0003029600000000, 0.0000279700000000 ] - [ -0.0000258300000000, -0.0003814300000000, -0.0000109500000000 ] - [ -0.0002964000000000, -0.0001888400000000, -0.0003813500000000 ] - [ 0.0342978200000000, -0.0215496500000000, 0.0213503900000000 ] - [ -0.0004795000000000, -0.0000771600000000, 0.0001102400000000 ] - [ 0.0023148200000000, -0.0013875600000000, -0.0006369200000000 ] - [ 0.0003793400000000, 0.0000595300000000, -0.0009951700000000 ] - [ 0.0008216100000000, 0.0001249900000000, -0.0011064100000000 ] - [ 0.0051718100000000, 0.0002007600000000, 0.0003896500000000 ] - [ -0.0005877600000000, -0.0000955200000000, 0.0002459300000000 ] - [ -0.0035403800000000, -0.0005310200000000, -0.0040164200000000 ] - [ 0.0181156100000000, 0.0226117200000000, -0.0036887100000000 ] - [ -0.0005720000000000, -0.0004316700000000, -0.0006369600000000 ] - [ 0.0027361600000000, -0.0026944000000000, -0.0029327700000000 ] - [ 0.0004158900000000, 0.0003102600000000, 0.0000872200000000 ] - [ -0.0002090600000000, -0.0006434600000000, -0.0002762400000000 ] - [ 0.0011632400000000, -0.0022051400000000, 0.0013904900000000 ] - [ 0.0025572900000000, 0.0008891900000000, -0.0048132900000000 ] - [ 0.0003075300000000, -0.0000893700000000, 0.0001204500000000 ] - [ 0.0573376800000000, -0.0145657700000000, -0.0247569100000000 ] - [ 0.0010200200000000, -0.0005351900000000, 0.0001449100000000 ] - [ -0.0012061900000000, -0.0006823100000000, -0.0001475500000000 ] - [ -0.0010120500000000, 0.0005374600000000, -0.0004957500000000 ] - [ 0.0000215100000000, -0.0003511100000000, 0.0001104000000000 ] - [ -0.0055793900000000, -0.0028218800000000, -0.0058631200000000 ] - [ 0.0002440000000000, 0.0003801700000000, -0.0007726900000000 ] - [ -0.0010174200000000, 0.0004284300000000, 0.0000303600000000 ] - [ 0.0003346500000000, -0.0000120700000000, -0.0008519000000000 ] - [ -0.0022520600000000, 0.0000694400000000, 0.0021952500000000 ] - [ -0.0000168500000000, -0.0000038900000000, 0.0003145000000000 ] - [ -0.0097663200000000, -0.0022005900000000, 0.0020537500000000 ] - [ -0.0005234100000000, 0.0006502500000000, 0.0022165900000000 ] - [ 0.0002527400000000, 0.0007561100000000, -0.0009832700000000 ] - [ -0.0009925000000000, -0.0012320000000000, -0.0013872900000000 ] - [ 0.0008683400000000, -0.0003788600000000, 0.0006779100000000 ] - [ -0.0004789300000000, 0.0002296400000000, 0.0008505200000000 ] - [ 0.0004262500000000, 0.0005578100000000, -0.0003268000000000 ] - [ -0.0015698000000000, 0.0005534800000000, -0.0003893300000000 ] - [ 0.0007941300000000, -0.0006058600000000, -0.0003156000000000 ] - [ -0.0029857700000000, -0.0086144600000000, 0.0004864300000000 ] - [ 0.0002836500000000, 0.0005706400000000, -0.0001004100000000 ] - [ -0.0017158100000000, -0.0005532300000000, 0.0003203000000000 ] - [ -0.0007409100000000, 0.0001031600000000, -0.0009299100000000 ] - [ 0.0001398700000000, -0.0000931200000000, 0.0000830100000000 ] - [ 0.0083738400000000, 0.0026956500000000, 0.0003829300000000 ] - [ -0.0001461200000000, 0.0000698800000000, 0.0001977800000000 ] - [ -0.0008253700000000, -0.0027345000000000, -0.0039870900000000 ] - [ 0.0002689200000000, 0.0003983000000000, 0.0000155000000000 ] - [ 0.0034916200000000, -0.0016647400000000, -0.0003961200000000 ] - [ -0.0001928800000000, -0.0004168200000000, 0.0002147000000000 ] - [ -0.0012730200000000, 0.0002785600000000, -0.0014760500000000 ] - [ -0.0003420700000000, -0.0022025300000000, 0.0035698300000000 ] - [ -0.0008858200000000, 0.0010750700000000, 0.0013469800000000 ] - [ 0.0004945200000000, 0.0001213900000000, 0.0004478400000000 ] - [ 0.0002521800000000, -0.0004413400000000, 0.0002874300000000 ] - [ -0.1364012100000000, 0.0001914200000000, -0.0074662800000000 ] - [ -0.0006293600000000, -0.0000506600000000, 0.0009300700000000 ] - [ -0.0000765400000000, 0.0017456500000000, 0.0011533100000000 ] - [ 0.0007848900000000, 0.0001839500000000, -0.0001071800000000 ] - [ -0.0002933400000000, -0.0002383800000000, 0.0005232400000000 ] - [ 0.0008731900000000, 0.0029865400000000, 0.0005061600000000 ] - [ -0.0001289600000000, 0.0002299100000000, 0.0000531300000000 ] - [ 0.0045519400000000, 0.0005616100000000, -0.0030476600000000 ] - [ 0.0006494500000000, 0.0001108300000000, -0.0016382100000000 ] - [ 0.0052126300000000, -0.0009849000000000, 0.0017574000000000 ] - [ -0.0008040800000000, 0.0003197900000000, 0.0017685800000000 ] - [ 0.0000090900000000, -0.0002550600000000, -0.0002770000000000 ] - [ -0.0118993100000000, 0.0049461300000000, 0.0005007100000000 ] - [ 0.0000930400000000, 0.0002682100000000, 0.0015705100000000 ] - [ -0.0027137300000000, 0.0028424300000000, 0.0212183900000000 ] - [ 0.0000716200000000, -0.0001439500000000, 0.0002225700000000 ] - [ 0.0003536700000000, -0.0004841400000000, 0.0014152600000000 ] - [ 0.0035002700000000, -0.0000531200000000, -0.0013369000000000 ] - [ -0.0005422200000000, 0.0004406400000000, -0.0004711600000000 ] - [ 0.0345455100000000, 0.0227846900000000, 0.0050794600000000 ] - [ -0.0035327200000000, -0.0026482800000000, -0.0090720200000000 ] - [ 0.0010087300000000, 0.0002941900000000, 0.0015592800000000 ] - [ -0.0009686000000000, -0.0009144400000000, 0.0006357200000000 ] - [ 0.0000085400000000, -0.0006326100000000, -0.0019497100000000 ]- atom: 61 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ 0.0016608700000000, -0.0012968200000000, -0.0038937700000000 ] - [ 0.0017764100000000, -0.0004723700000000, 0.0004250500000000 ] - [ 0.0000002000000000, 0.0001931200000000, -0.0001078900000000 ] - [ -0.0014712900000000, 0.0004963300000000, -0.0000522700000000 ] - [ -0.0048152000000000, -0.0036379600000000, -0.0073589900000000 ] - [ -0.0000267300000000, 0.0001189700000000, 0.0010098700000000 ] - [ -0.0002968000000000, -0.0000415900000000, 0.0010471400000000 ] - [ 0.0006243300000000, -0.0002338200000000, -0.0006540000000000 ] - [ -0.0345220000000000, 0.0223952500000000, -0.0236438400000000 ] - [ -0.0002601500000000, -0.0000481200000000, 0.0008277200000000 ] - [ -0.0030533100000000, 0.0015134200000000, 0.0015926000000000 ] - [ 0.0003675100000000, 0.0000713500000000, 0.0000335400000000 ] - [ -0.0001204700000000, 0.0000699300000000, 0.0002453100000000 ] - [ -0.0058488800000000, -0.0000058200000000, 0.0004646800000000 ] - [ -0.0001155000000000, -0.0000992000000000, 0.0006075500000000 ] - [ 0.0042170200000000, 0.0003296700000000, 0.0031429800000000 ] - [ -0.0171236700000000, -0.0237285700000000, 0.0042148000000000 ] - [ -0.0003205100000000, -0.0002250200000000, 0.0002102900000000 ] - [ -0.0036414100000000, 0.0033555900000000, 0.0025022200000000 ] - [ 0.0004755100000000, 0.0003457000000000, 0.0003371600000000 ] - [ 0.0000221000000000, -0.0004137900000000, 0.0002963300000000 ] - [ -0.0005517900000000, 0.0024400400000000, -0.0010448600000000 ] - [ -0.0031729200000000, -0.0011519200000000, 0.0044810000000000 ] - [ 0.0003034100000000, -0.0001646300000000, 0.0002176700000000 ] - [ -0.0550308700000000, 0.0131041500000000, 0.0226602300000000 ] - [ 0.0005251000000000, -0.0003393600000000, 0.0003581100000000 ] - [ 0.0027438700000000, 0.0015536700000000, 0.0006533900000000 ] - [ -0.0005262300000000, 0.0003322100000000, -0.0000045500000000 ] - [ -0.0008113300000000, -0.0005392900000000, -0.0003892500000000 ] - [ 0.0063432500000000, 0.0019213000000000, 0.0061622900000000 ] - [ 0.0005492700000000, 0.0005073200000000, 0.0010517300000000 ] - [ 0.0002299400000000, 0.0004569600000000, -0.0003188600000000 ] - [ -0.0001086200000000, -0.0000133800000000, -0.0001322900000000 ] - [ 0.0020002800000000, -0.0000869500000000, -0.0012007800000000 ] - [ -0.0002125400000000, 0.0000255000000000, 0.0006732900000000 ] - [ 0.0100449000000000, 0.0022477100000000, -0.0030401100000000 ] - [ 0.0002035000000000, 0.0005876800000000, -0.0008396400000000 ] - [ 0.0000699000000000, 0.0004782100000000, -0.0003843700000000 ] - [ 0.0013190900000000, -0.0000148700000000, 0.0000157300000000 ] - [ -0.0012154900000000, -0.0008697900000000, 0.0007066900000000 ] - [ 0.0000506600000000, 0.0000852400000000, -0.0011620200000000 ] - [ 0.0000006600000000, -0.0002474900000000, 0.0006359100000000 ] - [ 0.0019976900000000, -0.0008523800000000, 0.0007036300000000 ] - [ -0.0012415000000000, 0.0002930700000000, 0.0000108900000000 ] - [ 0.0027959900000000, 0.0096305700000000, -0.0004597100000000 ] - [ -0.0000951400000000, 0.0004865400000000, 0.0000830600000000 ] - [ 0.0018939600000000, -0.0004978300000000, -0.0003437800000000 ] - [ 0.0001311900000000, 0.0001517200000000, 0.0005808800000000 ] - [ -0.0001287500000000, 0.0000274500000000, -0.0000583600000000 ] - [ -0.0084792400000000, -0.0028192900000000, -0.0004203100000000 ] - [ 0.0001348400000000, -0.0000028500000000, -0.0002156200000000 ] - [ 0.0008338600000000, 0.0027919300000000, 0.0039981200000000 ] - [ -0.0001271300000000, 0.0003761600000000, -0.0001532200000000 ] - [ -0.0036339300000000, 0.0024643300000000, 0.0005301600000000 ] - [ 0.0000528800000000, -0.0003611200000000, -0.0000701900000000 ] - [ 0.0014080500000000, -0.0010537700000000, 0.0013351300000000 ] - [ 0.0000972900000000, 0.0025802600000000, -0.0035320000000000 ] - [ 0.0011031200000000, -0.0006853300000000, -0.0013637400000000 ] - [ -0.0002653700000000, -0.0005109800000000, -0.0004652000000000 ] - [ -0.0004799800000000, 0.0000509900000000, -0.0002660900000000 ] - [ 0.1345068200000000, -0.0001369400000000, 0.0100076000000000 ] - [ -0.0005126000000000, -0.0002059700000000, -0.0002103100000000 ] - [ -0.0010643900000000, -0.0014912100000000, -0.0004225400000000 ] - [ 0.0003566700000000, 0.0000696000000000, -0.0006043000000000 ] - [ 0.0008275000000000, -0.0000876600000000, -0.0000059100000000 ] - [ -0.0014139100000000, -0.0032982800000000, -0.0010255500000000 ] - [ -0.0004094600000000, 0.0000935300000000, -0.0005721900000000 ] - [ -0.0040023900000000, -0.0002408700000000, 0.0035635900000000 ] - [ -0.0002117700000000, -0.0002361900000000, 0.0015699200000000 ] - [ -0.0056437600000000, 0.0008438600000000, -0.0016818200000000 ] - [ 0.0003713700000000, -0.0001963100000000, -0.0017063100000000 ] - [ 0.0004193600000000, 0.0003816600000000, 0.0002174400000000 ] - [ 0.0115731600000000, -0.0046310500000000, -0.0008782200000000 ] - [ 0.0001597400000000, -0.0000242200000000, -0.0011495000000000 ] - [ 0.0029807700000000, -0.0030671300000000, -0.0208012700000000 ] - [ -0.0003324900000000, -0.0000971000000000, -0.0006209400000000 ] - [ 0.0000889500000000, -0.0003301800000000, -0.0004682600000000 ] - [ -0.0039387900000000, -0.0007676800000000, 0.0003970200000000 ] - [ 0.0000932100000000, 0.0003686200000000, -0.0004739700000000 ] - [ -0.0337526200000000, -0.0219045400000000, -0.0042444500000000 ] - [ 0.0038479500000000, 0.0037073300000000, 0.0086895200000000 ] - [ -0.0011848300000000, 0.0007491300000000, -0.0011351800000000 ] - [ 0.0007835900000000, -0.0001396100000000, -0.0002241800000000 ] - [ 0.0001780000000000, -0.0004268600000000, 0.0015403900000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0030962300000000, 0.0011219800000000, -0.0006402900000000 ] - [ 0.0003615000000000, -0.0006501000000000, 0.0008000300000000 ] - [ 0.0006809700000000, 0.0002299300000000, -0.0005674900000000 ] - [ -0.0008555800000000, 0.0004683700000000, 0.0000627400000000 ] - [ 0.0056417600000000, 0.0112217100000000, 0.0192468900000000 ] - [ -0.0001100200000000, -0.0000287600000000, 0.0013672200000000 ] - [ -0.0000217500000000, -0.0004004400000000, -0.0004441200000000 ] - [ 0.0003758300000000, -0.0001713000000000, -0.0004148600000000 ] - [ -0.0178430800000000, 0.0161693200000000, -0.0109005000000000 ] - [ -0.0003243000000000, -0.0000825500000000, 0.0006718500000000 ] - [ 0.0011012900000000, -0.0052231100000000, -0.0051982600000000 ] - [ 0.0001901000000000, 0.0000333800000000, -0.0006699900000000 ] - [ -0.0004560100000000, 0.0000874400000000, -0.0009783200000000 ] - [ 0.0060195200000000, -0.0059349800000000, 0.0008576200000000 ] - [ -0.0003473300000000, -0.0001203200000000, 0.0004075200000000 ] - [ 0.0024182100000000, 0.0006936000000000, 0.0034191500000000 ] - [ 0.0254417500000000, 0.0403260900000000, -0.0077235800000000 ] - [ -0.0005501200000000, -0.0008180400000000, -0.0001749100000000 ] - [ -0.0026235600000000, 0.0055065500000000, -0.0004862200000000 ] - [ 0.0004487800000000, 0.0000983800000000, 0.0002125900000000 ] - [ -0.0000533900000000, -0.0002444600000000, -0.0000600200000000 ] - [ -0.0010442800000000, -0.0107007500000000, 0.0029082600000000 ] - [ -0.0013289200000000, -0.0002487400000000, 0.0029499600000000 ] - [ 0.0003378100000000, -0.0000775700000000, 0.0000672800000000 ] - [ -0.0118376500000000, 0.0064767700000000, 0.0049569200000000 ] - [ 0.0009019000000000, -0.0006896500000000, 0.0006993000000000 ] - [ -0.0006080200000000, -0.0001236900000000, -0.0012118900000000 ] - [ -0.0006725400000000, 0.0003532800000000, -0.0002582000000000 ] - [ -0.0002365500000000, -0.0007793100000000, 0.0018834900000000 ] - [ -0.0000080700000000, 0.0005176600000000, 0.0008762300000000 ] - [ 0.0004126200000000, 0.0005237500000000, 0.0004559300000000 ] - [ -0.0004786000000000, 0.0000764300000000, -0.0008994100000000 ] - [ 0.0000954700000000, -0.0000102300000000, -0.0006571600000000 ] - [ 0.0006085700000000, -0.0007318400000000, -0.0001676100000000 ] - [ -0.0003648700000000, 0.0000179000000000, 0.0009912000000000 ] - [ 0.0019709100000000, 0.0010053400000000, -0.0005733400000000 ] - [ -0.0001037200000000, 0.0005889500000000, 0.0006987500000000 ] - [ 0.0001411400000000, 0.0006802200000000, -0.0009444700000000 ] - [ 0.0004218000000000, -0.0011685700000000, -0.0004552200000000 ] - [ 0.0016344200000000, 0.0011750100000000, -0.0024739100000000 ] - [ -0.0000668000000000, 0.0006457200000000, -0.0003919900000000 ] - [ 0.0001804000000000, -0.0005526600000000, 0.0001824700000000 ] - [ -0.0001335800000000, 0.0006867300000000, 0.0008959800000000 ] - [ 0.0009434900000000, -0.0033155500000000, -0.0009190700000000 ] - [ -0.0028217800000000, -0.0004799500000000, 0.0002000600000000 ] - [ 0.0000610300000000, 0.0012541300000000, 0.0002974100000000 ] - [ 0.0003987400000000, -0.0021915600000000, -0.0000628400000000 ] - [ -0.0002342400000000, 0.0004151900000000, -0.0001923300000000 ] - [ -0.0001388300000000, 0.0003263300000000, 0.0000490000000000 ] - [ 0.0038526300000000, -0.0028217300000000, 0.0012527100000000 ] - [ 0.0000271200000000, 0.0001879300000000, -0.0000312200000000 ] - [ -0.0015065800000000, -0.0005115400000000, 0.0020796800000000 ] - [ -0.0001215900000000, -0.0001142500000000, -0.0002128300000000 ] - [ -0.0021971400000000, 0.0032729000000000, 0.0004934900000000 ] - [ -0.0000622400000000, -0.0005458200000000, 0.0000713700000000 ] - [ 0.0001238500000000, 0.0012243100000000, -0.0000826300000000 ] - [ -0.0020548400000000, -0.0008934000000000, -0.0033976200000000 ] - [ 0.0011546900000000, 0.0022862200000000, 0.0006255500000000 ] - [ 0.0001063000000000, -0.0007096700000000, -0.0000581100000000 ] - [ -0.0002239100000000, 0.0002400000000000, -0.0000626600000000 ] - [ 0.0018606400000000, -0.0899904300000000, -0.0046254900000000 ] - [ -0.0006518200000000, 0.0003573100000000, -0.0002362100000000 ] - [ 0.0010336600000000, -0.0007977300000000, 0.0049780900000000 ] - [ 0.0005181100000000, 0.0003249500000000, -0.0003692700000000 ] - [ 0.0010209100000000, -0.0006458700000000, 0.0013792400000000 ] - [ -0.0026744300000000, 0.0030993900000000, 0.0015088400000000 ] - [ -0.0001659400000000, -0.0001011200000000, -0.0002696900000000 ] - [ -0.0012472900000000, 0.0010104300000000, 0.0006190500000000 ] - [ 0.0006555400000000, 0.0028918800000000, -0.0036503200000000 ] - [ -0.0011597300000000, -0.0017557900000000, -0.0002013900000000 ] - [ 0.0000524400000000, 0.0000193200000000, -0.0010032900000000 ] - [ 0.0002518400000000, -0.0002568900000000, 0.0002753300000000 ] - [ -0.0092261900000000, 0.0361390200000000, 0.0026320400000000 ] - [ 0.0008546900000000, 0.0003107100000000, 0.0004556900000000 ] - [ 0.0032086800000000, -0.0073508300000000, -0.0148755200000000 ] - [ -0.0000941600000000, 0.0000540600000000, -0.0002617000000000 ] - [ 0.0000367800000000, -0.0004476700000000, 0.0004034200000000 ] - [ 0.0000045100000000, 0.0019659800000000, 0.0004997900000000 ] - [ -0.0002564900000000, 0.0000788800000000, -0.0023256300000000 ] - [ 0.0068930000000000, -0.0040310900000000, -0.0021032600000000 ] - [ -0.0106769300000000, 0.0017845800000000, 0.0085287700000000 ] - [ 0.0003346400000000, 0.0007505300000000, -0.0008983600000000 ] - [ -0.0002617400000000, 0.0000727800000000, 0.0011412500000000 ] - [ -0.0000296700000000, -0.0010534400000000, 0.0000290400000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0044151600000000, -0.0017664400000000, 0.0006360500000000 ] - [ 0.0009358100000000, 0.0000010900000000, -0.0008071600000000 ] - [ 0.0006130400000000, 0.0004081000000000, 0.0005877800000000 ] - [ -0.0004461500000000, 0.0001735600000000, -0.0000682200000000 ] - [ -0.0052282100000000, -0.0109091300000000, -0.0199670600000000 ] - [ -0.0002305400000000, 0.0004515500000000, -0.0003385000000000 ] - [ -0.0003127500000000, -0.0000258900000000, 0.0014915000000000 ] - [ -0.0000336900000000, -0.0002573900000000, -0.0006282900000000 ] - [ 0.0182308800000000, -0.0162887900000000, 0.0095769700000000 ] - [ -0.0004145000000000, -0.0000516600000000, 0.0002714500000000 ] - [ -0.0018336000000000, 0.0053656500000000, 0.0061532200000000 ] - [ 0.0005502200000000, 0.0000957300000000, -0.0002693600000000 ] - [ 0.0011656400000000, 0.0001068500000000, 0.0001321300000000 ] - [ -0.0067311300000000, 0.0061548400000000, -0.0000110800000000 ] - [ -0.0003509900000000, -0.0000700800000000, 0.0004296400000000 ] - [ -0.0017238400000000, -0.0009014300000000, -0.0042839600000000 ] - [ -0.0261129100000000, -0.0439974300000000, 0.0086162900000000 ] - [ -0.0003422300000000, 0.0001751100000000, -0.0002375800000000 ] - [ 0.0017300200000000, -0.0049010800000000, 0.0000613500000000 ] - [ 0.0004486400000000, 0.0005431800000000, 0.0002046900000000 ] - [ -0.0001235400000000, -0.0008284300000000, 0.0000838300000000 ] - [ 0.0016833800000000, 0.0109133700000000, -0.0025682800000000 ] - [ 0.0007151300000000, -0.0000210800000000, -0.0033083300000000 ] - [ 0.0002929600000000, -0.0002023900000000, 0.0002664200000000 ] - [ 0.0099703600000000, -0.0070881800000000, -0.0053231400000000 ] - [ 0.0006356200000000, -0.0001668200000000, -0.0002146500000000 ] - [ 0.0021614500000000, 0.0009782900000000, 0.0017042700000000 ] - [ -0.0008753400000000, 0.0004965100000000, -0.0002236500000000 ] - [ -0.0005443900000000, -0.0001122600000000, -0.0021862600000000 ] - [ 0.0008007100000000, -0.0013902900000000, -0.0005710100000000 ] - [ 0.0003637000000000, 0.0003607800000000, -0.0001607600000000 ] - [ -0.0002928400000000, 0.0008041300000000, 0.0006093800000000 ] - [ 0.0001306500000000, -0.0000236600000000, -0.0003269100000000 ] - [ -0.0008354400000000, 0.0006852000000000, 0.0011727200000000 ] - [ 0.0001537100000000, 0.0000214400000000, 0.0000026300000000 ] - [ -0.0017288800000000, -0.0009600400000000, -0.0004116700000000 ] - [ -0.0002103800000000, 0.0006295500000000, 0.0006637600000000 ] - [ 0.0001575800000000, 0.0005285900000000, -0.0004238500000000 ] - [ -0.0001304000000000, -0.0000492700000000, -0.0009227000000000 ] - [ -0.0019496100000000, -0.0024038800000000, 0.0038393200000000 ] - [ -0.0003530800000000, -0.0003319700000000, 0.0000793700000000 ] - [ 0.0002385900000000, 0.0008626400000000, 0.0001338800000000 ] - [ 0.0005541700000000, -0.0010120600000000, -0.0005819300000000 ] - [ -0.0013763400000000, 0.0030249300000000, 0.0006119600000000 ] - [ 0.0025981000000000, 0.0015880300000000, -0.0001760800000000 ] - [ 0.0001206100000000, -0.0002028600000000, -0.0003119200000000 ] - [ -0.0002204200000000, 0.0011467600000000, 0.0000443800000000 ] - [ -0.0003990600000000, -0.0001342700000000, -0.0001483700000000 ] - [ 0.0001496900000000, -0.0004021700000000, -0.0000301600000000 ] - [ -0.0038689100000000, 0.0027723400000000, -0.0012732100000000 ] - [ -0.0000393700000000, -0.0001263100000000, 0.0000065500000000 ] - [ 0.0015227000000000, 0.0005918400000000, -0.0020642800000000 ] - [ 0.0002595500000000, 0.0008914300000000, 0.0000721200000000 ] - [ 0.0020382400000000, -0.0024998500000000, -0.0003515100000000 ] - [ -0.0000759800000000, -0.0002356500000000, 0.0000699800000000 ] - [ 0.0000176700000000, -0.0020101400000000, -0.0000695500000000 ] - [ 0.0018344000000000, 0.0012996100000000, 0.0034263700000000 ] - [ -0.0009223000000000, -0.0019073300000000, -0.0006310900000000 ] - [ 0.0001216800000000, 0.0003188900000000, 0.0000389300000000 ] - [ -0.0000048300000000, -0.0006340700000000, 0.0000820900000000 ] - [ 0.0015860800000000, 0.0931978100000000, 0.0032930700000000 ] - [ -0.0004916400000000, -0.0006163400000000, 0.0009559400000000 ] - [ -0.0021993300000000, 0.0010599800000000, -0.0042750000000000 ] - [ 0.0006265500000000, -0.0000723300000000, -0.0003468200000000 ] - [ -0.0004853000000000, 0.0003212100000000, -0.0008678700000000 ] - [ 0.0021600100000000, -0.0034269500000000, -0.0020331400000000 ] - [ -0.0003718200000000, 0.0004249900000000, -0.0002472400000000 ] - [ 0.0017916900000000, -0.0006988300000000, -0.0000988900000000 ] - [ -0.0002279100000000, -0.0030340700000000, 0.0036063100000000 ] - [ 0.0007277300000000, 0.0016333500000000, 0.0002596100000000 ] - [ -0.0004860600000000, 0.0001050400000000, 0.0010692400000000 ] - [ 0.0001805600000000, 0.0003864400000000, -0.0003376000000000 ] - [ 0.0088631700000000, -0.0361955700000000, -0.0030061300000000 ] - [ -0.0005963500000000, -0.0000828700000000, -0.0000569000000000 ] - [ -0.0029403200000000, 0.0071193900000000, 0.0153368300000000 ] - [ -0.0001632200000000, -0.0002903800000000, -0.0001432000000000 ] - [ 0.0004027000000000, -0.0003658400000000, 0.0005306500000000 ] - [ -0.0004417400000000, -0.0027902000000000, -0.0014386500000000 ] - [ -0.0001825300000000, 0.0007300000000000, 0.0013998300000000 ] - [ -0.0064853100000000, 0.0046969300000000, 0.0030497300000000 ] - [ 0.0108994400000000, -0.0007534500000000, -0.0089558000000000 ] - [ -0.0005253100000000, 0.0003074700000000, 0.0013053100000000 ] - [ 0.0000711900000000, -0.0011311100000000, -0.0007468800000000 ] - [ 0.0002196300000000, -0.0000023600000000, -0.0004308800000000 ]- atom: 61 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ 0.0087627200000000, -0.0007753600000000, -0.0012422300000000 ] - [ 0.0024550500000000, -0.0006565300000000, 0.0009784200000000 ] - [ 0.0004654500000000, 0.0002132400000000, -0.0008922500000000 ] - [ -0.0007478300000000, 0.0003168400000000, -0.0013652900000000 ] - [ 0.0059204600000000, 0.0201197500000000, 0.0477473200000000 ] - [ -0.0003679600000000, 0.0003300200000000, 0.0011443500000000 ] - [ 0.0001379300000000, -0.0006537500000000, -0.0006425800000000 ] - [ 0.0007509600000000, 0.0000423900000000, -0.0024082300000000 ] - [ 0.0050444000000000, -0.0042460700000000, 0.0079685200000000 ] - [ -0.0003744700000000, -0.0001112600000000, -0.0010147600000000 ] - [ -0.0022959300000000, 0.0008709900000000, 0.0052507700000000 ] - [ -0.0001605300000000, 0.0000213600000000, -0.0024928900000000 ] - [ -0.0018183200000000, -0.0000542100000000, -0.0018483000000000 ] - [ -0.0041346800000000, 0.0007323800000000, 0.0025438500000000 ] - [ -0.0003302300000000, -0.0000491400000000, -0.0005067200000000 ] - [ -0.0010477400000000, 0.0003423000000000, -0.0019178100000000 ] - [ -0.0121349900000000, -0.0181512100000000, 0.0071658900000000 ] - [ -0.0005847200000000, -0.0007721100000000, -0.0006727500000000 ] - [ -0.0028860000000000, -0.0013469900000000, -0.0037329600000000 ] - [ 0.0004861800000000, 0.0002512600000000, -0.0006729900000000 ] - [ -0.0000425500000000, -0.0006781400000000, -0.0014245400000000 ] - [ -0.0006954900000000, 0.0003123400000000, 0.0022277400000000 ] - [ -0.0005990700000000, 0.0009483300000000, -0.0024895000000000 ] - [ 0.0006815300000000, -0.0005024100000000, -0.0011960500000000 ] - [ -0.0438072700000000, 0.0115903900000000, 0.0226197900000000 ] - [ 0.0002266000000000, -0.0002611300000000, -0.0005670200000000 ] - [ 0.0010361800000000, 0.0002653800000000, 0.0008408200000000 ] - [ -0.0006259100000000, 0.0005651500000000, -0.0015248500000000 ] - [ -0.0009364500000000, -0.0002806700000000, -0.0014094500000000 ] - [ 0.0032810200000000, 0.0013293300000000, 0.0089411000000000 ] - [ 0.0000356500000000, 0.0002975100000000, -0.0023456800000000 ] - [ -0.0004588300000000, 0.0006160500000000, -0.0009570500000000 ] - [ 0.0007093700000000, -0.0001850500000000, -0.0027690600000000 ] - [ 0.0003215800000000, -0.0000801300000000, 0.0004479000000000 ] - [ 0.0003557000000000, -0.0001316400000000, -0.0010279000000000 ] - [ 0.0056145100000000, 0.0022374900000000, 0.0002732100000000 ] - [ 0.0000117700000000, 0.0004218100000000, -0.0010553100000000 ] - [ -0.0001326800000000, 0.0010563600000000, -0.0023036700000000 ] - [ 0.0013428400000000, 0.0003446500000000, 0.0016631000000000 ] - [ 0.0013976100000000, 0.0009212500000000, -0.0050137200000000 ] - [ 0.0001556800000000, -0.0000083000000000, -0.0015985600000000 ] - [ 0.0002463700000000, 0.0003406900000000, -0.0010415400000000 ] - [ 0.0016556800000000, 0.0001593800000000, 0.0016813800000000 ] - [ 0.0025249700000000, -0.0051449000000000, -0.0038116600000000 ] - [ 0.0022125800000000, 0.0076577100000000, 0.0022859500000000 ] - [ -0.0002851200000000, 0.0009697400000000, -0.0011406800000000 ] - [ 0.0001920500000000, 0.0006163100000000, -0.0000279600000000 ] - [ 0.0002600400000000, 0.0001901400000000, -0.0004476100000000 ] - [ -0.0006305400000000, 0.0003979700000000, 0.0011836900000000 ] - [ -0.0032640400000000, -0.0002009500000000, -0.0037677600000000 ] - [ -0.0000173900000000, 0.0000531400000000, 0.0010646200000000 ] - [ -0.0015941300000000, 0.0034115800000000, 0.0031113600000000 ] - [ -0.0006466000000000, -0.0002450400000000, 0.0008347300000000 ] - [ -0.0014644800000000, 0.0005851500000000, -0.0033532400000000 ] - [ -0.0000148000000000, -0.0004026700000000, 0.0011696700000000 ] - [ 0.0000156300000000, -0.0018641100000000, 0.0006719000000000 ] - [ 0.0034318500000000, -0.0016285400000000, -0.0005086300000000 ] - [ 0.0030579800000000, 0.0018484600000000, -0.0004629900000000 ] - [ 0.0002862000000000, 0.0000387200000000, 0.0010647600000000 ] - [ -0.0000072200000000, -0.0004079600000000, 0.0009367500000000 ] - [ 0.0583066900000000, -0.0040203300000000, -0.1044176600000000 ] - [ -0.0000479100000000, 0.0003568700000000, 0.0008478100000000 ] - [ -0.0001385000000000, 0.0033415100000000, -0.0007163600000000 ] - [ 0.0006833400000000, 0.0001059300000000, 0.0016268700000000 ] - [ 0.0021025900000000, -0.0002112300000000, 0.0041393100000000 ] - [ -0.0009122400000000, -0.0025073700000000, -0.0033272500000000 ] - [ -0.0001352400000000, 0.0001814300000000, 0.0016780100000000 ] - [ 0.0006241000000000, -0.0010184600000000, 0.0016317900000000 ] - [ -0.0005546200000000, 0.0023977200000000, -0.0009771100000000 ] - [ -0.0063588600000000, -0.0007051000000000, -0.0014841100000000 ] - [ -0.0000572500000000, 0.0000590300000000, 0.0027204300000000 ] - [ 0.0001628000000000, 0.0003941900000000, 0.0014856100000000 ] - [ 0.0087493100000000, -0.0027907700000000, -0.0069953200000000 ] - [ 0.0016091400000000, 0.0002978200000000, 0.0021219000000000 ] - [ 0.0081548900000000, -0.0051500400000000, 0.0143847000000000 ] - [ -0.0005123500000000, 0.0002198900000000, 0.0020632900000000 ] - [ -0.0004266400000000, -0.0003950100000000, 0.0042421400000000 ] - [ -0.0008070000000000, -0.0010707300000000, 0.0004032800000000 ] - [ 0.0000042700000000, -0.0001162200000000, 0.0021471300000000 ] - [ -0.0198479600000000, -0.0172436200000000, -0.0128475300000000 ] - [ -0.0193405200000000, 0.0078252800000000, 0.0241212500000000 ] - [ -0.0013349400000000, -0.0002348700000000, -0.0027740800000000 ] - [ -0.0003709100000000, -0.0009623500000000, 0.0027148400000000 ] - [ -0.0005227300000000, -0.0003308200000000, 0.0030476500000000 ]- atom: 61 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ -0.0100534400000000, 0.0001147900000000, 0.0011794100000000 ] - [ -0.0011402500000000, 0.0000167000000000, -0.0009327300000000 ] - [ 0.0008444000000000, 0.0004337900000000, 0.0009272300000000 ] - [ -0.0005662200000000, 0.0003273500000000, 0.0013327200000000 ] - [ -0.0051904500000000, -0.0184717700000000, -0.0463334100000000 ] - [ 0.0000199400000000, 0.0001013600000000, -0.0001075700000000 ] - [ -0.0004889100000000, 0.0002276400000000, 0.0016818300000000 ] - [ -0.0003985100000000, -0.0004697000000000, 0.0013607800000000 ] - [ -0.0042245000000000, 0.0039661000000000, -0.0085841500000000 ] - [ -0.0003555600000000, -0.0000088900000000, 0.0019366400000000 ] - [ 0.0015642000000000, -0.0007474300000000, -0.0043412200000000 ] - [ 0.0009000900000000, 0.0001049000000000, 0.0015678800000000 ] - [ 0.0025207100000000, 0.0002522400000000, 0.0009932300000000 ] - [ 0.0034429500000000, -0.0005507900000000, -0.0016901900000000 ] - [ -0.0003748700000000, -0.0001526100000000, 0.0013656300000000 ] - [ 0.0017456800000000, -0.0005349000000000, 0.0010543200000000 ] - [ 0.0130612500000000, 0.0173956000000000, -0.0069926900000000 ] - [ -0.0002913300000000, 0.0001480200000000, 0.0002587500000000 ] - [ 0.0020417500000000, 0.0019556300000000, 0.0033177700000000 ] - [ 0.0003968600000000, 0.0003696200000000, 0.0010876800000000 ] - [ -0.0001495800000000, -0.0003744100000000, 0.0014371200000000 ] - [ 0.0013206100000000, -0.0000597600000000, -0.0018729600000000 ] - [ -0.0000247300000000, -0.0012378500000000, 0.0021473000000000 ] - [ -0.0000512200000000, 0.0002285000000000, 0.0015332400000000 ] - [ 0.0446856700000000, -0.0128181700000000, -0.0235097400000000 ] - [ 0.0013155000000000, -0.0005993800000000, 0.0010570400000000 ] - [ 0.0005093700000000, 0.0005779800000000, -0.0003690600000000 ] - [ -0.0009264100000000, 0.0002909900000000, 0.0010433000000000 ] - [ 0.0001636700000000, -0.0006019700000000, 0.0011055200000000 ] - [ -0.0025031400000000, -0.0022207400000000, -0.0086147700000000 ] - [ 0.0007309600000000, 0.0005895100000000, 0.0026579900000000 ] - [ -0.0003152300000000, 0.0002744300000000, 0.0006426800000000 ] - [ -0.0004851200000000, 0.0001565400000000, 0.0017841600000000 ] - [ -0.0005543500000000, 0.0000478700000000, 0.0005366000000000 ] - [ -0.0005926200000000, 0.0001552800000000, 0.0020095900000000 ] - [ -0.0053694700000000, -0.0021811200000000, -0.0012708800000000 ] - [ -0.0003115500000000, 0.0007925100000000, 0.0024321100000000 ] - [ 0.0004426300000000, 0.0001678900000000, 0.0009288700000000 ] - [ -0.0010330300000000, -0.0015608300000000, -0.0030280700000000 ] - [ -0.0017278200000000, -0.0021648000000000, 0.0063868300000000 ] - [ -0.0005745000000000, 0.0003025400000000, 0.0012942500000000 ] - [ 0.0001634000000000, -0.0000376600000000, 0.0013464600000000 ] - [ -0.0012386200000000, -0.0004578500000000, -0.0013708600000000 ] - [ -0.0029669100000000, 0.0048525700000000, 0.0035181600000000 ] - [ -0.0024064900000000, -0.0066090500000000, -0.0022820900000000 ] - [ 0.0004729100000000, 0.0000880700000000, 0.0011289900000000 ] - [ -0.0000230200000000, -0.0016878800000000, 0.0000022500000000 ] - [ -0.0008859000000000, 0.0000825200000000, 0.0001062400000000 ] - [ 0.0006430200000000, -0.0004659500000000, -0.0011609000000000 ] - [ 0.0032548900000000, 0.0001266600000000, 0.0037239500000000 ] - [ 0.0000027000000000, 0.0000173600000000, -0.0010879900000000 ] - [ 0.0016337400000000, -0.0033744300000000, -0.0031075100000000 ] - [ 0.0007819600000000, 0.0010224100000000, -0.0009725600000000 ] - [ 0.0013337000000000, 0.0002007600000000, 0.0034861400000000 ] - [ -0.0001244200000000, -0.0003803400000000, -0.0010271800000000 ] - [ 0.0001212200000000, 0.0010890400000000, -0.0008096300000000 ] - [ -0.0036540800000000, 0.0020129300000000, 0.0005174400000000 ] - [ -0.0028314200000000, -0.0014564200000000, 0.0004405900000000 ] - [ -0.0000599600000000, -0.0004303200000000, -0.0010839500000000 ] - [ -0.0002242300000000, 0.0000193000000000, -0.0009144900000000 ] - [ -0.0600080300000000, 0.0030760900000000, 0.1012757400000000 ] - [ -0.0010982600000000, -0.0006081000000000, -0.0001275000000000 ] - [ -0.0010233300000000, -0.0031066000000000, 0.0014624700000000 ] - [ 0.0004625100000000, 0.0001459500000000, -0.0023446400000000 ] - [ -0.0015615100000000, -0.0001125700000000, -0.0036213500000000 ] - [ 0.0003628700000000, 0.0021909900000000, 0.0028139800000000 ] - [ -0.0004048700000000, 0.0001416800000000, -0.0021937200000000 ] - [ -0.0000789800000000, 0.0013429200000000, -0.0011042800000000 ] - [ 0.0009963200000000, -0.0025304000000000, 0.0009035700000000 ] - [ 0.0058902300000000, 0.0005601300000000, 0.0015473600000000 ] - [ -0.0003857400000000, 0.0000739000000000, -0.0026613500000000 ] - [ 0.0002791100000000, -0.0002637200000000, -0.0015446100000000 ] - [ -0.0090467100000000, 0.0031024800000000, 0.0066236800000000 ] - [ -0.0013625100000000, -0.0000668400000000, -0.0017173600000000 ] - [ -0.0080165200000000, 0.0049790400000000, -0.0139777300000000 ] - [ 0.0002648700000000, -0.0004438900000000, -0.0024631600000000 ] - [ 0.0008614600000000, -0.0004179400000000, -0.0033111400000000 ] - [ 0.0003731000000000, 0.0002623100000000, -0.0013274600000000 ] - [ -0.0004434900000000, 0.0009245300000000, -0.0030783300000000 ] - [ 0.0203531200000000, 0.0180372300000000, 0.0137799300000000 ] - [ 0.0195738300000000, -0.0066140500000000, -0.0242098000000000 ] - [ 0.0011248100000000, 0.0012805700000000, 0.0031705700000000 ] - [ 0.0001663300000000, -0.0000876800000000, -0.0023154800000000 ] - [ 0.0007254500000000, -0.0007204300000000, -0.0034455400000000 ]- atom: 65 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ -0.0052384500000000, 0.0015376600000000, -0.0046588700000000 ] - [ -0.0013525000000000, -0.0003424700000000, -0.0000587800000000 ] - [ 0.0009494300000000, 0.0004512200000000, -0.0000836500000000 ] - [ 0.0000735700000000, 0.0001698100000000, -0.0004838700000000 ] - [ 0.0048717600000000, 0.0018644800000000, -0.0049608000000000 ] - [ -0.0016295300000000, -0.0000902500000000, 0.0022031800000000 ] - [ -0.0000812100000000, -0.0001700400000000, 0.0003135700000000 ] - [ -0.0001712400000000, -0.0001113100000000, -0.0015410500000000 ] - [ 0.0003272500000000, -0.0001080600000000, -0.0012562100000000 ] - [ -0.0014801800000000, -0.0005343400000000, -0.0005430200000000 ] - [ -0.0000848500000000, -0.0000098800000000, 0.0001545400000000 ] - [ -0.0061502700000000, -0.0011857400000000, -0.0065644300000000 ] - [ 0.0370058800000000, 0.0239749200000000, -0.0250472100000000 ] - [ 0.0003482500000000, 0.0000524900000000, 0.0007991600000000 ] - [ -0.0015941100000000, -0.0005533500000000, 0.0001379700000000 ] - [ 0.0000005600000000, -0.0000721800000000, -0.0005134000000000 ] - [ 0.0008218700000000, -0.0008994800000000, -0.0002604000000000 ] - [ -0.0065289300000000, -0.0043312800000000, -0.0006492400000000 ] - [ -0.0003775900000000, 0.0001826400000000, -0.0003650900000000 ] - [ -0.0003788600000000, -0.0005312900000000, -0.0006036600000000 ] - [ -0.0020348300000000, -0.0018653800000000, 0.0035752500000000 ] - [ 0.0007969500000000, 0.0007432800000000, -0.0002583100000000 ] - [ -0.0001483400000000, -0.0000716400000000, -0.0002706000000000 ] - [ -0.0000519200000000, -0.0001457900000000, -0.0006916300000000 ] - [ 0.0001633800000000, -0.0002617600000000, -0.0001554200000000 ] - [ 0.0016682600000000, 0.0004268000000000, 0.0005859100000000 ] - [ 0.0005796700000000, 0.0003154800000000, 0.0001054100000000 ] - [ -0.0039654600000000, 0.0015617900000000, 0.0008276500000000 ] - [ 0.0029785800000000, 0.0006946300000000, 0.0033613600000000 ] - [ 0.0000481400000000, -0.0003859400000000, 0.0025181100000000 ] - [ 0.0001742700000000, 0.0009654700000000, 0.0018924300000000 ] - [ -0.0005552300000000, 0.0004768100000000, -0.0005367200000000 ] - [ 0.0033449400000000, -0.0021051900000000, -0.0048530800000000 ] - [ -0.0001277500000000, -0.0000319900000000, 0.0004590000000000 ] - [ 0.0040800700000000, 0.0010087300000000, 0.0004243700000000 ] - [ -0.0004258600000000, 0.0001109400000000, -0.0001117700000000 ] - [ -0.0001349000000000, 0.0005016400000000, 0.0004018600000000 ] - [ 0.0007658600000000, 0.0005929300000000, -0.0010887800000000 ] - [ -0.0004325400000000, -0.0003810400000000, -0.0001979100000000 ] - [ 0.0435363900000000, 0.0108014400000000, 0.0249622600000000 ] - [ -0.0001523900000000, 0.0001402300000000, -0.0004036100000000 ] - [ 0.0005052200000000, 0.0007128100000000, 0.0001901500000000 ] - [ -0.0008896900000000, -0.0003452500000000, 0.0008879900000000 ] - [ 0.0004883600000000, 0.0076946500000000, -0.0027645600000000 ] - [ 0.0002417900000000, 0.0004406000000000, 0.0003869200000000 ] - [ 0.0155333100000000, -0.0223657100000000, 0.0083569500000000 ] - [ -0.0000710400000000, -0.0004619700000000, -0.0001489200000000 ] - [ -0.0083079700000000, 0.0026411600000000, 0.0024917400000000 ] - [ 0.0021430100000000, -0.0016080700000000, -0.0004506100000000 ] - [ 0.0003889900000000, 0.0003119500000000, 0.0003797600000000 ] - [ -0.0016451800000000, 0.0005352600000000, 0.0020612100000000 ] - [ -0.0001209000000000, 0.0000401200000000, 0.0001161000000000 ] - [ 0.0045894800000000, 0.0029914500000000, -0.0005268100000000 ] - [ 0.0002650600000000, -0.0000817000000000, 0.0006342000000000 ] - [ -0.0006541500000000, -0.0013833100000000, 0.0043674600000000 ] - [ -0.0000731600000000, -0.0003879900000000, -0.0000087900000000 ] - [ -0.0011812000000000, -0.0012685200000000, -0.0032022400000000 ] - [ -0.0015485300000000, 0.0016041400000000, -0.0027834400000000 ] - [ 0.0004755600000000, -0.0000303300000000, -0.0002204700000000 ] - [ 0.0001574300000000, -0.0003823200000000, 0.0000302100000000 ] - [ 0.0000135800000000, 0.0006233300000000, 0.0014250700000000 ] - [ 0.0005680400000000, 0.0022900300000000, 0.0002746600000000 ] - [ -0.0004305400000000, 0.0002324900000000, 0.0005956700000000 ] - [ 0.0048546400000000, 0.0016572600000000, 0.0024829400000000 ] - [ -0.1236501600000000, -0.0031691100000000, -0.0069263400000000 ] - [ -0.0004211900000000, -0.0000653900000000, -0.0004800100000000 ] - [ -0.0012820700000000, 0.0028067200000000, -0.0002713700000000 ] - [ 0.0005684600000000, 0.0001254200000000, 0.0003736700000000 ] - [ -0.0004909600000000, -0.0027477800000000, 0.0003182100000000 ] - [ 0.0047238800000000, 0.0006485400000000, -0.0032876100000000 ] - [ -0.0011951900000000, -0.0002944300000000, -0.0005938300000000 ] - [ 0.0000854100000000, -0.0000066800000000, 0.0007156300000000 ] - [ -0.0015800600000000, 0.0004172000000000, -0.0000990000000000 ] - [ 0.0344126000000000, 0.0039361100000000, 0.0038160600000000 ] - [ 0.0001714500000000, 0.0000032600000000, 0.0007979200000000 ] - [ 0.0018671400000000, 0.0003100700000000, 0.0012149000000000 ] - [ 0.0087315700000000, -0.0049990200000000, -0.0132486000000000 ] - [ 0.0000223100000000, -0.0003791000000000, -0.0000962600000000 ] - [ -0.0097481300000000, -0.0044025800000000, -0.0062387800000000 ] - [ -0.0004604000000000, 0.0000099000000000, -0.0013635400000000 ] - [ 0.0008972600000000, -0.0171673700000000, 0.0241882700000000 ] - [ 0.0032696500000000, 0.0005956000000000, -0.0010721500000000 ] - [ -0.0003453600000000, -0.0009930500000000, 0.0004273900000000 ] - [ -0.0003164600000000, -0.0004733200000000, 0.0006857400000000 ]- atom: 65 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ 0.0039264900000000, -0.0021725000000000, 0.0046410000000000 ] - [ 0.0026434400000000, -0.0003035700000000, 0.0000398900000000 ] - [ 0.0003495700000000, 0.0001954200000000, 0.0000796300000000 ] - [ -0.0013617700000000, 0.0004794300000000, 0.0005037100000000 ] - [ -0.0045365200000000, -0.0014523600000000, 0.0039168000000000 ] - [ 0.0012969200000000, 0.0005109400000000, -0.0011589800000000 ] - [ -0.0002557900000000, -0.0002464000000000, 0.0007284800000000 ] - [ 0.0005090800000000, -0.0003046600000000, 0.0004899300000000 ] - [ 0.0004168700000000, -0.0000285500000000, 0.0003183200000000 ] - [ 0.0007438000000000, 0.0004035700000000, 0.0014866700000000 ] - [ -0.0006527200000000, 0.0001440100000000, 0.0007988200000000 ] - [ 0.0068615000000000, 0.0013030200000000, 0.0056037700000000 ] - [ -0.0343904500000000, -0.0223670400000000, 0.0228742800000000 ] - [ -0.0010466100000000, 0.0001364000000000, 0.0000405100000000 ] - [ 0.0008881700000000, 0.0003567200000000, 0.0007188500000000 ] - [ 0.0006877300000000, -0.0001104500000000, -0.0003235800000000 ] - [ 0.0000695700000000, 0.0002557700000000, 0.0006860900000000 ] - [ 0.0056715900000000, 0.0036888900000000, 0.0002443900000000 ] - [ -0.0005019500000000, 0.0004650900000000, -0.0000635700000000 ] - [ 0.0012656700000000, 0.0011704400000000, 0.0010278200000000 ] - [ 0.0018365200000000, 0.0008122700000000, -0.0035892500000000 ] - [ -0.0001644800000000, -0.0004455400000000, 0.0006012400000000 ] - [ -0.0004803900000000, -0.0002252700000000, -0.0000746800000000 ] - [ 0.0006831000000000, -0.0001439900000000, 0.0010290900000000 ] - [ -0.0017105900000000, -0.0005863400000000, -0.0003319300000000 ] - [ -0.0001061700000000, -0.0013073500000000, -0.0000963200000000 ] - [ 0.0009633900000000, 0.0005393200000000, 0.0003902200000000 ] - [ 0.0024082300000000, -0.0007143000000000, -0.0013288900000000 ] - [ -0.0037752100000000, -0.0015921500000000, -0.0036771700000000 ] - [ 0.0007361100000000, -0.0004962700000000, -0.0022054000000000 ] - [ 0.0005962000000000, -0.0000863300000000, -0.0015794800000000 ] - [ -0.0002281600000000, 0.0004054500000000, 0.0002331600000000 ] - [ -0.0029520200000000, 0.0019086000000000, 0.0035819700000000 ] - [ -0.0000982000000000, -0.0000017200000000, 0.0005357500000000 ] - [ -0.0043279300000000, -0.0009845100000000, 0.0005561600000000 ] - [ 0.0006304000000000, -0.0000596800000000, -0.0008893000000000 ] - [ -0.0001628300000000, 0.0007169200000000, 0.0009616400000000 ] - [ -0.0004392500000000, 0.0006349100000000, -0.0002590600000000 ] - [ 0.0007422200000000, -0.0008300200000000, -0.0011520300000000 ] - [ -0.0458488300000000, -0.0124351900000000, -0.0255872800000000 ] - [ -0.0002797900000000, 0.0001782500000000, 0.0000848300000000 ] - [ -0.0000681000000000, -0.0004071200000000, 0.0001266000000000 ] - [ 0.0013262900000000, 0.0000291200000000, -0.0005631300000000 ] - [ -0.0009339700000000, -0.0080256800000000, 0.0024495500000000 ] - [ -0.0004083800000000, 0.0006198900000000, -0.0003603400000000 ] - [ -0.0155399900000000, 0.0230406400000000, -0.0082364400000000 ] - [ 0.0002359400000000, -0.0006057100000000, 0.0001197000000000 ] - [ 0.0076799200000000, -0.0023703700000000, -0.0028125400000000 ] - [ -0.0021323400000000, 0.0015531200000000, 0.0004701900000000 ] - [ -0.0003957200000000, -0.0003763900000000, -0.0003961000000000 ] - [ 0.0016248000000000, -0.0004644400000000, -0.0020821500000000 ] - [ 0.0001313600000000, 0.0000274000000000, -0.0000979300000000 ] - [ -0.0044762200000000, -0.0022398200000000, 0.0003733700000000 ] - [ -0.0004007500000000, 0.0008601300000000, -0.0004877400000000 ] - [ 0.0004984400000000, 0.0005946300000000, -0.0042045900000000 ] - [ 0.0002114900000000, -0.0003891500000000, -0.0001356900000000 ] - [ 0.0009435400000000, 0.0016514400000000, 0.0032154100000000 ] - [ 0.0017763400000000, -0.0012118000000000, 0.0027668600000000 ] - [ -0.0002451600000000, -0.0003577200000000, 0.0002063700000000 ] - [ -0.0003818800000000, -0.0000049300000000, -0.0000085700000000 ] - [ 0.0011317400000000, -0.0008774000000000, -0.0021490700000000 ] - [ -0.0017188800000000, -0.0025461300000000, 0.0004423500000000 ] - [ -0.0007131800000000, 0.0000240500000000, 0.0001289900000000 ] - [ -0.0037034900000000, -0.0013851200000000, -0.0031762000000000 ] - [ 0.1239892300000000, 0.0021571200000000, 0.0109807800000000 ] - [ -0.0001141300000000, -0.0002546400000000, -0.0000389300000000 ] - [ 0.0007658700000000, -0.0024988700000000, -0.0002455100000000 ] - [ -0.0000319800000000, 0.0001979300000000, 0.0001438700000000 ] - [ 0.0009216100000000, 0.0026322200000000, -0.0003765400000000 ] - [ -0.0051335800000000, -0.0007679700000000, 0.0033377300000000 ] - [ 0.0007726600000000, 0.0004199200000000, 0.0006519900000000 ] - [ 0.0003353300000000, 0.0001308800000000, -0.0007727100000000 ] - [ 0.0013011600000000, -0.0001723500000000, -0.0002916900000000 ] - [ -0.0338818100000000, -0.0035154700000000, -0.0035563300000000 ] - [ 0.0001137500000000, -0.0002465600000000, -0.0004035300000000 ] - [ -0.0021342400000000, -0.0005500500000000, -0.0016165700000000 ] - [ -0.0082033300000000, 0.0042225300000000, 0.0142667600000000 ] - [ -0.0004639200000000, -0.0004401400000000, -0.0008400400000000 ] - [ 0.0093400800000000, 0.0053032100000000, 0.0053316700000000 ] - [ 0.0009087700000000, 0.0008066800000000, 0.0022918700000000 ] - [ -0.0007540300000000, 0.0182121800000000, -0.0246782100000000 ] - [ -0.0034358000000000, 0.0004533800000000, 0.0014782900000000 ] - [ 0.0001740800000000, -0.0000585500000000, -0.0000231900000000 ] - [ 0.0004815300000000, -0.0005812900000000, -0.0010847400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010166100000000, 0.0005601900000000, -0.0008932400000000 ] - [ 0.0001889900000000, -0.0006258400000000, -0.0004426200000000 ] - [ 0.0007759900000000, 0.0000048500000000, 0.0002908100000000 ] - [ -0.0010166200000000, 0.0005289700000000, -0.0005413400000000 ] - [ 0.0008946700000000, 0.0014460500000000, -0.0001093400000000 ] - [ 0.0009765300000000, -0.0002295500000000, -0.0003850100000000 ] - [ -0.0003775300000000, -0.0005184700000000, 0.0008650900000000 ] - [ 0.0004392200000000, -0.0000806400000000, -0.0011487700000000 ] - [ 0.0003381700000000, -0.0000073700000000, -0.0006453600000000 ] - [ -0.0000664600000000, -0.0006797700000000, 0.0009800800000000 ] - [ -0.0004162500000000, 0.0000675900000000, 0.0001069700000000 ] - [ -0.0017705200000000, 0.0014312300000000, -0.0031116000000000 ] - [ 0.0181643600000000, 0.0159329600000000, -0.0159846700000000 ] - [ -0.0001953400000000, -0.0000248700000000, -0.0002300400000000 ] - [ -0.0008717900000000, -0.0004443200000000, 0.0009442500000000 ] - [ 0.0003417500000000, -0.0000864900000000, -0.0007426000000000 ] - [ 0.0003824300000000, 0.0000470500000000, -0.0001526700000000 ] - [ -0.0023745300000000, -0.0034863000000000, -0.0009115400000000 ] - [ -0.0004844700000000, 0.0005884700000000, -0.0003495500000000 ] - [ 0.0004982900000000, -0.0011705900000000, 0.0002913000000000 ] - [ 0.0006042700000000, 0.0042869300000000, 0.0019635400000000 ] - [ 0.0000844100000000, -0.0002684200000000, -0.0005101900000000 ] - [ -0.0003078500000000, -0.0001702600000000, -0.0005078000000000 ] - [ 0.0007629900000000, -0.0003336100000000, 0.0008416600000000 ] - [ -0.0006236500000000, -0.0002651400000000, -0.0001067800000000 ] - [ 0.0036847200000000, -0.0111075000000000, 0.0004969300000000 ] - [ 0.0007275200000000, 0.0004735300000000, 0.0002002400000000 ] - [ 0.0019197100000000, 0.0002802900000000, -0.0011390800000000 ] - [ -0.0031983800000000, -0.0066880900000000, -0.0059240500000000 ] - [ 0.0002766600000000, -0.0003644900000000, 0.0011861100000000 ] - [ 0.0024399700000000, 0.0011495200000000, -0.0031570400000000 ] - [ -0.0003384000000000, 0.0003967500000000, -0.0000661000000000 ] - [ 0.0009020500000000, 0.0138618200000000, 0.0180298900000000 ] - [ -0.0000657600000000, -0.0000208600000000, 0.0003769500000000 ] - [ -0.0054080300000000, -0.0056256100000000, 0.0022596900000000 ] - [ 0.0000033600000000, 0.0000188700000000, -0.0003143200000000 ] - [ -0.0001924600000000, 0.0004972600000000, 0.0003742900000000 ] - [ -0.0000576500000000, -0.0000257400000000, 0.0014172400000000 ] - [ 0.0001894500000000, -0.0008423600000000, -0.0012396600000000 ] - [ 0.0092717400000000, 0.0063075200000000, 0.0068368200000000 ] - [ -0.0001849800000000, 0.0006730900000000, -0.0002858900000000 ] - [ 0.0001449800000000, -0.0013025900000000, -0.0000219700000000 ] - [ 0.0002806800000000, 0.0006702600000000, 0.0000317200000000 ] - [ 0.0017681700000000, -0.0010880600000000, 0.0028024400000000 ] - [ -0.0000103500000000, 0.0001697300000000, 0.0001233000000000 ] - [ -0.0231791500000000, 0.0425364300000000, -0.0156022600000000 ] - [ 0.0000903400000000, -0.0007396800000000, -0.0000637200000000 ] - [ -0.0042850400000000, 0.0030154300000000, 0.0003239900000000 ] - [ -0.0002450600000000, 0.0020932500000000, 0.0000912500000000 ] - [ 0.0000513600000000, -0.0001612800000000, 0.0000796700000000 ] - [ 0.0013038900000000, 0.0030351400000000, 0.0017680400000000 ] - [ -0.0000243000000000, -0.0001071400000000, 0.0000776700000000 ] - [ 0.0023845500000000, -0.0003987100000000, 0.0002356900000000 ] - [ -0.0000383100000000, 0.0005497400000000, 0.0001049400000000 ] - [ -0.0014611700000000, -0.0031206600000000, -0.0039325400000000 ] - [ 0.0000449700000000, -0.0002175500000000, -0.0000151900000000 ] - [ -0.0018361500000000, -0.0008257700000000, 0.0029248500000000 ] - [ 0.0002374200000000, 0.0024378400000000, -0.0015210300000000 ] - [ -0.0000328700000000, -0.0006893100000000, 0.0000383700000000 ] - [ -0.0001907200000000, 0.0002869300000000, 0.0001554800000000 ] - [ 0.0005035200000000, -0.0006043500000000, -0.0004628800000000 ] - [ -0.0037093100000000, 0.0031307300000000, 0.0012782800000000 ] - [ -0.0005090500000000, -0.0001404600000000, 0.0004247100000000 ] - [ 0.0001729900000000, 0.0009743700000000, 0.0007668700000000 ] - [ -0.0035203600000000, -0.0933236600000000, 0.0035804800000000 ] - [ -0.0003636500000000, 0.0001460600000000, 0.0000802300000000 ] - [ 0.0023758400000000, -0.0005832200000000, -0.0041401900000000 ] - [ 0.0003068600000000, 0.0003304100000000, 0.0004290100000000 ] - [ 0.0029109700000000, 0.0035025400000000, 0.0013157300000000 ] - [ 0.0006579800000000, -0.0005370400000000, -0.0013358200000000 ] - [ 0.0004796600000000, 0.0009681800000000, 0.0013076000000000 ] - [ 0.0001433700000000, -0.0001157800000000, -0.0005208200000000 ] - [ 0.0000261800000000, -0.0000791700000000, 0.0009522600000000 ] - [ 0.0136116400000000, -0.0017216400000000, 0.0056531500000000 ] - [ 0.0002650300000000, -0.0003502500000000, 0.0007504900000000 ] - [ -0.0001272400000000, 0.0013413200000000, -0.0012461200000000 ] - [ -0.0123687500000000, -0.0075827400000000, 0.0047497000000000 ] - [ -0.0002789000000000, -0.0002943400000000, -0.0004355600000000 ] - [ 0.0061748100000000, 0.0373279600000000, 0.0055167100000000 ] - [ -0.0000119000000000, 0.0004686900000000, -0.0003370900000000 ] - [ -0.0058770400000000, -0.0051182400000000, -0.0055689200000000 ] - [ -0.0007051600000000, -0.0000350500000000, 0.0014301400000000 ] - [ -0.0001155400000000, 0.0015606000000000, -0.0009207300000000 ] - [ 0.0000548300000000, -0.0008955500000000, 0.0005694700000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002972300000000, -0.0011833000000000, 0.0008655000000000 ] - [ 0.0011250200000000, -0.0000225400000000, 0.0004540600000000 ] - [ 0.0005277500000000, 0.0006406800000000, -0.0002773100000000 ] - [ -0.0002833300000000, 0.0001175100000000, 0.0005334300000000 ] - [ -0.0005569400000000, -0.0009979600000000, -0.0009450000000000 ] - [ -0.0013182900000000, 0.0006596000000000, 0.0014254800000000 ] - [ 0.0000390400000000, 0.0000923000000000, 0.0001675400000000 ] - [ -0.0001017700000000, -0.0003430600000000, 0.0001162000000000 ] - [ 0.0004001400000000, -0.0001190700000000, -0.0002899100000000 ] - [ -0.0006680700000000, 0.0005565300000000, -0.0000428200000000 ] - [ -0.0003187900000000, 0.0000576700000000, 0.0008356900000000 ] - [ 0.0025168600000000, -0.0012977100000000, 0.0021853900000000 ] - [ -0.0169079500000000, -0.0157002000000000, 0.0147595700000000 ] - [ -0.0005033600000000, 0.0002129900000000, 0.0010766100000000 ] - [ 0.0001677400000000, 0.0002530900000000, -0.0001041000000000 ] - [ 0.0003510200000000, -0.0001009900000000, -0.0001036300000000 ] - [ 0.0005050400000000, -0.0006922500000000, 0.0005750900000000 ] - [ 0.0015136500000000, 0.0028706300000000, 0.0005018900000000 ] - [ -0.0004012900000000, 0.0000584000000000, -0.0000664000000000 ] - [ 0.0003885700000000, 0.0018169000000000, 0.0001255400000000 ] - [ -0.0007960600000000, -0.0053740700000000, -0.0019460700000000 ] - [ 0.0005439800000000, 0.0005482900000000, 0.0008649700000000 ] - [ -0.0003181700000000, -0.0001034400000000, 0.0001736000000000 ] - [ -0.0001396600000000, 0.0000648500000000, -0.0005037700000000 ] - [ -0.0009192000000000, -0.0005941500000000, -0.0003835700000000 ] - [ -0.0021514100000000, 0.0101820600000000, -0.0000150900000000 ] - [ 0.0008121400000000, 0.0003775500000000, 0.0002854800000000 ] - [ -0.0034785200000000, 0.0005832200000000, 0.0006521900000000 ] - [ 0.0024249100000000, 0.0058306100000000, 0.0056315200000000 ] - [ 0.0005063400000000, -0.0005226100000000, -0.0008907200000000 ] - [ -0.0016728900000000, -0.0002694900000000, 0.0034863900000000 ] - [ -0.0004380900000000, 0.0004901300000000, -0.0002331400000000 ] - [ -0.0007872600000000, -0.0139468700000000, -0.0186808800000000 ] - [ -0.0001759600000000, -0.0000104500000000, 0.0006239000000000 ] - [ 0.0051821400000000, 0.0056706800000000, -0.0012865700000000 ] - [ 0.0002220200000000, 0.0000188800000000, -0.0006802100000000 ] - [ -0.0001108900000000, 0.0007330100000000, 0.0010121800000000 ] - [ 0.0003664700000000, 0.0012545900000000, -0.0028031000000000 ] - [ 0.0001148400000000, -0.0003801300000000, -0.0001370800000000 ] - [ -0.0093273700000000, -0.0072866000000000, -0.0052697100000000 ] - [ -0.0002329100000000, -0.0003633300000000, -0.0000195100000000 ] - [ 0.0002726300000000, 0.0016164900000000, 0.0003231000000000 ] - [ 0.0001390600000000, -0.0009836500000000, 0.0002852200000000 ] - [ -0.0021555600000000, 0.0008195500000000, -0.0030700500000000 ] - [ -0.0001653700000000, 0.0009020700000000, -0.0001028400000000 ] - [ 0.0248369000000000, -0.0444691800000000, 0.0165484900000000 ] - [ 0.0000895200000000, -0.0003233300000000, 0.0000468200000000 ] - [ 0.0036538100000000, -0.0027369700000000, -0.0006703700000000 ] - [ 0.0002390900000000, -0.0021662300000000, -0.0000675400000000 ] - [ -0.0000635200000000, 0.0001030500000000, -0.0001067900000000 ] - [ -0.0013059900000000, -0.0029661500000000, -0.0017667100000000 ] - [ 0.0000367800000000, 0.0001718400000000, -0.0000492300000000 ] - [ -0.0022510200000000, 0.0011928200000000, -0.0003750400000000 ] - [ -0.0001017600000000, 0.0002278400000000, 0.0000348300000000 ] - [ 0.0013236400000000, 0.0023647800000000, 0.0040748600000000 ] - [ 0.0000931800000000, -0.0005608900000000, -0.0001250100000000 ] - [ 0.0016123900000000, 0.0012342400000000, -0.0029135700000000 ] - [ 0.0000053500000000, -0.0020538600000000, 0.0014893800000000 ] - [ 0.0002628700000000, 0.0003036500000000, -0.0000588100000000 ] - [ -0.0000355500000000, -0.0006762300000000, -0.0001356000000000 ] - [ 0.0006487000000000, 0.0003597500000000, -0.0002598200000000 ] - [ 0.0025805000000000, -0.0033926400000000, -0.0005618800000000 ] - [ -0.0006419500000000, 0.0003931900000000, 0.0003022100000000 ] - [ 0.0009704200000000, -0.0007244100000000, -0.0014910300000000 ] - [ 0.0017525900000000, 0.0959752400000000, -0.0042874300000000 ] - [ -0.0001737300000000, -0.0004692400000000, -0.0005998000000000 ] - [ -0.0029259500000000, 0.0009223600000000, 0.0036482100000000 ] - [ 0.0002309900000000, -0.0000065200000000, 0.0000867700000000 ] - [ -0.0024931900000000, -0.0036234300000000, -0.0013961100000000 ] - [ -0.0010919300000000, 0.0004126000000000, 0.0014033700000000 ] - [ -0.0009202000000000, -0.0008407200000000, -0.0012547300000000 ] - [ 0.0002912400000000, 0.0002491300000000, 0.0004621900000000 ] - [ -0.0002872000000000, 0.0003203500000000, -0.0013554500000000 ] - [ -0.0134103800000000, 0.0019524400000000, -0.0052698300000000 ] - [ -0.0000021800000000, 0.0001219600000000, -0.0003574200000000 ] - [ -0.0001266700000000, -0.0015712300000000, 0.0008468800000000 ] - [ 0.0128679900000000, 0.0067833200000000, -0.0038589600000000 ] - [ -0.0001562100000000, -0.0005155300000000, -0.0005000300000000 ] - [ -0.0065227400000000, -0.0368056600000000, -0.0063867600000000 ] - [ 0.0004563200000000, 0.0003425200000000, 0.0012745700000000 ] - [ 0.0060912000000000, 0.0060109200000000, 0.0051998900000000 ] - [ 0.0005080800000000, 0.0010986400000000, -0.0010354900000000 ] - [ -0.0000782000000000, -0.0026190800000000, 0.0013282900000000 ] - [ 0.0001438000000000, -0.0001557400000000, -0.0009723700000000 ]- atom: 65 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ -0.0009451100000000, -0.0004626500000000, -0.0007282400000000 ] - [ 0.0007720000000000, -0.0003399600000000, 0.0002262800000000 ] - [ -0.0001309700000000, 0.0000540100000000, -0.0012650500000000 ] - [ -0.0025527600000000, 0.0003814900000000, -0.0014996900000000 ] - [ -0.0019819800000000, 0.0005448500000000, -0.0037459000000000 ] - [ 0.0001254500000000, 0.0000193400000000, 0.0007438600000000 ] - [ 0.0004221900000000, -0.0005773200000000, -0.0012073500000000 ] - [ 0.0009510800000000, -0.0002090300000000, -0.0009479300000000 ] - [ 0.0001296000000000, 0.0000064100000000, -0.0031070000000000 ] - [ 0.0006087200000000, 0.0004773300000000, 0.0033358600000000 ] - [ -0.0005183300000000, 0.0000490400000000, -0.0014685300000000 ] - [ 0.0030412300000000, -0.0000938300000000, 0.0090319800000000 ] - [ -0.0327198700000000, -0.0236260700000000, 0.0285076000000000 ] - [ -0.0004877700000000, -0.0000963700000000, -0.0004925200000000 ] - [ 0.0012276200000000, 0.0004444500000000, 0.0007830200000000 ] - [ 0.0005309600000000, -0.0001756100000000, -0.0019778100000000 ] - [ 0.0003781700000000, -0.0008162500000000, -0.0008338400000000 ] - [ 0.0055162400000000, 0.0040948700000000, 0.0027273700000000 ] - [ -0.0004442300000000, 0.0004623800000000, -0.0014690600000000 ] - [ 0.0012224200000000, 0.0002081500000000, 0.0011515400000000 ] - [ 0.0058897100000000, 0.0042627100000000, -0.0019206300000000 ] - [ 0.0004957200000000, 0.0005431100000000, -0.0007318900000000 ] - [ 0.0000815800000000, 0.0001929900000000, -0.0023702800000000 ] - [ 0.0003633000000000, 0.0000901800000000, 0.0006913500000000 ] - [ -0.0007487000000000, -0.0006582800000000, -0.0016278800000000 ] - [ -0.0004760600000000, 0.0007100800000000, 0.0020894900000000 ] - [ 0.0008926100000000, 0.0003493000000000, -0.0006730000000000 ] - [ 0.0078002400000000, -0.0020956700000000, -0.0005528200000000 ] - [ -0.0004847500000000, -0.0012722300000000, 0.0024264300000000 ] - [ 0.0007151300000000, -0.0002865600000000, -0.0027427200000000 ] - [ 0.0027996000000000, 0.0004876100000000, -0.0064092700000000 ] - [ -0.0005263000000000, 0.0005427800000000, -0.0014837000000000 ] - [ -0.0039490300000000, 0.0227693000000000, 0.0485221300000000 ] - [ 0.0004144600000000, 0.0000890600000000, -0.0008703100000000 ] - [ -0.0023585900000000, 0.0004725000000000, 0.0034934000000000 ] - [ 0.0009655900000000, 0.0001218000000000, -0.0024738400000000 ] - [ -0.0006551200000000, 0.0001526400000000, -0.0010440200000000 ] - [ -0.0002992100000000, 0.0017056300000000, -0.0016773800000000 ] - [ 0.0000936200000000, -0.0007772800000000, -0.0015115900000000 ] - [ 0.0033424800000000, 0.0000722200000000, 0.0078759400000000 ] - [ -0.0004322600000000, 0.0006169000000000, -0.0011211100000000 ] - [ -0.0000745400000000, -0.0013745500000000, -0.0013949100000000 ] - [ 0.0004036700000000, -0.0009480000000000, -0.0004505000000000 ] - [ -0.0014906000000000, 0.0016291700000000, 0.0006888000000000 ] - [ -0.0001062400000000, 0.0010645500000000, -0.0012714700000000 ] - [ -0.0009239200000000, -0.0010513000000000, 0.0045969900000000 ] - [ 0.0001194600000000, -0.0004133700000000, -0.0009571200000000 ] - [ 0.0049574200000000, -0.0016877900000000, 0.0006964700000000 ] - [ -0.0014306500000000, 0.0006508700000000, -0.0026185800000000 ] - [ -0.0000799300000000, 0.0000890500000000, 0.0009271600000000 ] - [ 0.0033212800000000, 0.0023182700000000, -0.0006581700000000 ] - [ -0.0000174000000000, 0.0001030000000000, 0.0010492100000000 ] - [ -0.0016039200000000, 0.0002719400000000, -0.0033093100000000 ] - [ -0.0000640000000000, 0.0002476900000000, 0.0009872700000000 ] - [ 0.0045427100000000, -0.0028329800000000, 0.0013546300000000 ] - [ 0.0001526500000000, -0.0003373900000000, 0.0009811900000000 ] - [ -0.0013975700000000, 0.0035007700000000, 0.0035981500000000 ] - [ -0.0000405100000000, -0.0022653100000000, 0.0020867900000000 ] - [ -0.0005673100000000, -0.0007315400000000, 0.0012826500000000 ] - [ -0.0006649600000000, 0.0003602500000000, 0.0009292700000000 ] - [ 0.0010797100000000, 0.0004766700000000, 0.0027612100000000 ] - [ -0.0004742400000000, -0.0028589700000000, -0.0022922500000000 ] - [ -0.0003695300000000, 0.0000661000000000, 0.0023390100000000 ] - [ -0.0044231800000000, -0.0009320300000000, -0.0020148900000000 ] - [ 0.0526570600000000, 0.0029044200000000, -0.1076721400000000 ] - [ -0.0003817900000000, -0.0005031300000000, 0.0012281700000000 ] - [ 0.0002325600000000, -0.0045526000000000, -0.0006488100000000 ] - [ 0.0002191800000000, 0.0000295100000000, 0.0022380100000000 ] - [ 0.0001822300000000, -0.0009185400000000, 0.0003239000000000 ] - [ -0.0008718700000000, 0.0002678500000000, 0.0021612000000000 ] - [ 0.0016670700000000, 0.0013247600000000, 0.0041256400000000 ] - [ 0.0008513400000000, -0.0001734700000000, 0.0004329200000000 ] - [ -0.0003635100000000, 0.0003672400000000, 0.0022400900000000 ] - [ -0.0244448500000000, -0.0009221800000000, -0.0154342100000000 ] - [ -0.0004002600000000, -0.0006347900000000, 0.0039812900000000 ] - [ -0.0020058300000000, -0.0000372900000000, -0.0032969800000000 ] - [ -0.0290812800000000, 0.0010357400000000, 0.0218803300000000 ] - [ -0.0006535900000000, -0.0004103700000000, 0.0017758300000000 ] - [ 0.0024498400000000, 0.0006220100000000, -0.0061612800000000 ] - [ -0.0002609500000000, 0.0002406000000000, 0.0043608000000000 ] - [ 0.0098452100000000, -0.0036506800000000, 0.0069879100000000 ] - [ -0.0006394700000000, 0.0014359300000000, 0.0009491600000000 ] - [ -0.0001059100000000, 0.0002581300000000, 0.0032546500000000 ] - [ 0.0011877500000000, -0.0004622500000000, 0.0023090400000000 ]- atom: 65 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ -0.0003615000000000, -0.0001835900000000, 0.0007208300000000 ] - [ 0.0005238200000000, -0.0003076300000000, -0.0002461300000000 ] - [ 0.0014369600000000, 0.0005963900000000, 0.0012556300000000 ] - [ 0.0012407900000000, 0.0002706200000000, 0.0015129700000000 ] - [ 0.0023337300000000, -0.0001418300000000, 0.0026929100000000 ] - [ -0.0004551600000000, 0.0003965700000000, 0.0003042600000000 ] - [ -0.0007529700000000, 0.0001675600000000, 0.0022587000000000 ] - [ -0.0006152800000000, -0.0002023400000000, -0.0001061000000000 ] - [ 0.0006215200000000, -0.0001498300000000, 0.0021701400000000 ] - [ -0.0013544800000000, -0.0006187600000000, -0.0023825000000000 ] - [ -0.0002324100000000, 0.0000954000000000, 0.0024167800000000 ] - [ -0.0022901100000000, 0.0002380600000000, -0.0099709300000000 ] - [ 0.0354825600000000, 0.0251300300000000, -0.0301418300000000 ] - [ -0.0002180800000000, 0.0002845500000000, 0.0013271000000000 ] - [ -0.0019264000000000, -0.0006318500000000, 0.0000645300000000 ] - [ 0.0001702500000000, -0.0000083600000000, 0.0011433900000000 ] - [ 0.0005161700000000, 0.0001815200000000, 0.0012582100000000 ] - [ -0.0063985100000000, -0.0047280500000000, -0.0031423000000000 ] - [ -0.0004505000000000, 0.0001828900000000, 0.0010446700000000 ] - [ -0.0003308800000000, 0.0004294200000000, -0.0007220300000000 ] - [ -0.0060378200000000, -0.0053126000000000, 0.0019180500000000 ] - [ 0.0001382600000000, -0.0002338900000000, 0.0010775100000000 ] - [ -0.0007081500000000, -0.0004943300000000, 0.0020139800000000 ] - [ 0.0002655800000000, -0.0003875100000000, -0.0003394600000000 ] - [ -0.0008094900000000, -0.0001825100000000, 0.0011463500000000 ] - [ 0.0020394900000000, -0.0015784100000000, -0.0016037700000000 ] - [ 0.0006622200000000, 0.0004963400000000, 0.0011596600000000 ] - [ -0.0093441100000000, 0.0029309700000000, 0.0000542100000000 ] - [ -0.0003190600000000, 0.0003756100000000, -0.0027473600000000 ] - [ 0.0000746400000000, -0.0006027100000000, 0.0030455200000000 ] - [ -0.0020234800000000, 0.0003811500000000, 0.0067371800000000 ] - [ -0.0002677500000000, 0.0003434200000000, 0.0011778900000000 ] - [ 0.0037390500000000, -0.0213840700000000, -0.0465541100000000 ] - [ -0.0006256700000000, -0.0001318600000000, 0.0018605900000000 ] - [ 0.0021300100000000, -0.0004393600000000, -0.0024967700000000 ] - [ -0.0007632700000000, -0.0000744600000000, 0.0014812100000000 ] - [ 0.0003475000000000, 0.0010671800000000, 0.0024019300000000 ] - [ 0.0006176900000000, -0.0004696500000000, 0.0003175800000000 ] - [ 0.0002184200000000, -0.0004419000000000, 0.0001548600000000 ] - [ -0.0033127500000000, -0.0013185500000000, -0.0061792900000000 ] - [ -0.0000084100000000, -0.0003055000000000, 0.0007950100000000 ] - [ 0.0005151400000000, 0.0016819500000000, 0.0017238700000000 ] - [ 0.0000353700000000, 0.0006380100000000, 0.0007772000000000 ] - [ 0.0010449100000000, -0.0019221700000000, -0.0010458500000000 ] - [ -0.0000529200000000, -0.0000152600000000, 0.0013030000000000 ] - [ 0.0008925200000000, 0.0024755000000000, -0.0047991000000000 ] - [ 0.0000416500000000, -0.0006479000000000, 0.0009276500000000 ] - [ -0.0055899100000000, 0.0019809400000000, -0.0010461600000000 ] - [ 0.0014430700000000, -0.0007181300000000, 0.0026282800000000 ] - [ 0.0000721000000000, -0.0001552400000000, -0.0009420600000000 ] - [ -0.0033251900000000, -0.0022411400000000, 0.0006358700000000 ] - [ 0.0000261000000000, -0.0000355800000000, -0.0010312900000000 ] - [ 0.0017449000000000, 0.0005013000000000, 0.0031516900000000 ] - [ -0.0000735200000000, 0.0005323900000000, -0.0008386400000000 ] - [ -0.0046556800000000, 0.0020424300000000, -0.0012119000000000 ] - [ -0.0000142500000000, -0.0004387200000000, -0.0011240100000000 ] - [ 0.0011837100000000, -0.0031490700000000, -0.0036120800000000 ] - [ 0.0002730800000000, 0.0026702200000000, -0.0021077200000000 ] - [ 0.0007957800000000, 0.0003424000000000, -0.0012970800000000 ] - [ 0.0004362600000000, -0.0007465600000000, -0.0009088100000000 ] - [ 0.0000649500000000, -0.0007354500000000, -0.0034934400000000 ] - [ -0.0006768300000000, 0.0026030800000000, 0.0030068200000000 ] - [ -0.0007759000000000, 0.0001897800000000, -0.0016140100000000 ] - [ 0.0055475200000000, 0.0011917100000000, 0.0012999200000000 ] - [ -0.0538574600000000, -0.0065328200000000, 0.1055297100000000 ] - [ -0.0001519000000000, 0.0001837000000000, -0.0017414900000000 ] - [ -0.0007576200000000, 0.0048390500000000, 0.0001304800000000 ] - [ 0.0003174500000000, 0.0002939100000000, -0.0017181400000000 ] - [ 0.0002460300000000, 0.0007935700000000, -0.0003728500000000 ] - [ 0.0004575100000000, -0.0003921300000000, -0.0021000600000000 ] - [ -0.0020918900000000, -0.0012004600000000, -0.0040679300000000 ] - [ -0.0004274800000000, 0.0002964800000000, -0.0004920700000000 ] - [ 0.0000848500000000, -0.0001250800000000, -0.0026290400000000 ] - [ 0.0247700700000000, 0.0012110500000000, 0.0158220200000000 ] - [ 0.0006764600000000, 0.0003851800000000, -0.0035891300000000 ] - [ 0.0017352000000000, -0.0002061200000000, 0.0028818700000000 ] - [ 0.0293995600000000, -0.0016887700000000, -0.0206219500000000 ] - [ 0.0002071800000000, -0.0004070900000000, -0.0027150800000000 ] - [ -0.0028736600000000, 0.0002635000000000, 0.0052315900000000 ] - [ 0.0007111200000000, 0.0005794000000000, -0.0034297200000000 ] - [ -0.0097331600000000, 0.0047219200000000, -0.0072956000000000 ] - [ 0.0004628500000000, -0.0003819400000000, -0.0005323200000000 ] - [ -0.0000697200000000, -0.0013189700000000, -0.0028417000000000 ] - [ -0.0010106900000000, -0.0005970000000000, -0.0027098000000000 ]- atom: 69 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ 0.0018914800000000, -0.0003407300000000, 0.0010867800000000 ] - [ 0.0470518600000000, -0.0205752700000000, -0.0218326500000000 ] - [ 0.0003241100000000, 0.0003223100000000, -0.0002230000000000 ] - [ -0.0009003500000000, 0.0003161400000000, -0.0002483300000000 ] - [ 0.0011102000000000, 0.0007451900000000, -0.0006553100000000 ] - [ -0.0103046800000000, -0.0004350000000000, 0.0027248700000000 ] - [ 0.0000589000000000, -0.0002190600000000, 0.0002086400000000 ] - [ 0.0002322800000000, -0.0002322600000000, -0.0006337900000000 ] - [ 0.0006379100000000, -0.0000831100000000, -0.0003676800000000 ] - [ -0.0010345500000000, -0.0002043600000000, 0.0027816100000000 ] - [ -0.0007416500000000, -0.0000244900000000, 0.0013709400000000 ] - [ -0.0004947800000000, -0.0002519200000000, 0.0003857900000000 ] - [ -0.0017079900000000, -0.0000400200000000, -0.0004131400000000 ] - [ -0.0036458500000000, -0.0000477400000000, 0.0032053200000000 ] - [ 0.0005766200000000, -0.0000494600000000, 0.0004879500000000 ] - [ 0.0006672600000000, -0.0001581200000000, -0.0005547100000000 ] - [ 0.0015035200000000, -0.0018732200000000, 0.0009484500000000 ] - [ -0.0022564600000000, -0.0013175100000000, 0.0010350000000000 ] - [ -0.0003515500000000, 0.0001795600000000, -0.0002129600000000 ] - [ 0.0001195600000000, 0.0001271000000000, 0.0004498700000000 ] - [ 0.0004581900000000, -0.0009638500000000, -0.0000290700000000 ] - [ 0.0043202200000000, -0.0021357400000000, -0.0105690900000000 ] - [ -0.0002473300000000, -0.0000434100000000, -0.0002977000000000 ] - [ 0.0000151500000000, -0.0000193700000000, 0.0004732100000000 ] - [ -0.0016639400000000, -0.0008868300000000, -0.0004496800000000 ] - [ -0.0037680000000000, 0.0017972600000000, -0.0037345700000000 ] - [ 0.0012997700000000, 0.0004639000000000, -0.0001640400000000 ] - [ -0.0002340500000000, 0.0001734300000000, -0.0000506400000000 ] - [ 0.0425747700000000, 0.0260994100000000, 0.0168709500000000 ] - [ -0.0008527200000000, -0.0000045200000000, -0.0004227600000000 ] - [ 0.0004953400000000, 0.0003947800000000, -0.0000717000000000 ] - [ -0.0004006800000000, 0.0005038200000000, -0.0006179500000000 ] - [ 0.0007055000000000, -0.0003016200000000, -0.0009542100000000 ] - [ -0.0004233900000000, 0.0001619000000000, -0.0005029300000000 ] - [ 0.0046264800000000, 0.0004359100000000, -0.0042691800000000 ] - [ -0.0001186400000000, 0.0001648000000000, -0.0011500000000000 ] - [ -0.0002963200000000, 0.0005270100000000, 0.0003294400000000 ] - [ 0.0001108100000000, 0.0007633900000000, -0.0015281800000000 ] - [ -0.0064890900000000, -0.0016059600000000, -0.0068515500000000 ] - [ 0.0012781700000000, -0.0008431500000000, 0.0014930800000000 ] - [ -0.0002771500000000, 0.0001820000000000, -0.0003135300000000 ] - [ 0.0002026000000000, 0.0002895900000000, -0.0002277900000000 ] - [ -0.0039588500000000, 0.0047848000000000, -0.0031847600000000 ] - [ 0.0035444100000000, -0.0027290100000000, 0.0021160800000000 ] - [ -0.0012636800000000, 0.0002792600000000, -0.0004933000000000 ] - [ -0.0016181500000000, -0.0036843500000000, -0.0053143100000000 ] - [ 0.0003641300000000, -0.0004971800000000, -0.0005889600000000 ] - [ -0.0017041700000000, 0.0012948600000000, 0.0012089900000000 ] - [ -0.0011409700000000, 0.0021706500000000, -0.0047343600000000 ] - [ -0.0009550200000000, -0.0006483500000000, 0.0012087100000000 ] - [ 0.0002734600000000, -0.0004246300000000, 0.0005276900000000 ] - [ 0.0002825200000000, 0.0001356100000000, 0.0000801800000000 ] - [ -0.0011875400000000, -0.0017142000000000, -0.0032468200000000 ] - [ -0.0014257800000000, 0.0015371300000000, 0.0023378400000000 ] - [ 0.0003776800000000, -0.0000548700000000, 0.0007048400000000 ] - [ 0.0003495900000000, -0.0005027600000000, 0.0000570000000000 ] - [ 0.0034238800000000, 0.0019029000000000, -0.0011525000000000 ] - [ 0.0059112300000000, -0.0036053300000000, -0.0006870800000000 ] - [ -0.0000008800000000, -0.0001961000000000, 0.0001475700000000 ] - [ -0.0002423600000000, -0.0001952000000000, 0.0001641500000000 ] - [ 0.0010069400000000, 0.0003118300000000, -0.0010084600000000 ] - [ 0.0048512200000000, 0.0008177200000000, -0.0036010600000000 ] - [ -0.0011646600000000, 0.0003992700000000, 0.0002207200000000 ] - [ 0.0003709900000000, 0.0000950000000000, -0.0005444900000000 ] - [ -0.0004399000000000, 0.0025327400000000, -0.0001824900000000 ] - [ 0.0046515900000000, -0.0010433800000000, 0.0017639400000000 ] - [ -0.0012548800000000, 0.0008670800000000, 0.0013415000000000 ] - [ 0.0001463400000000, 0.0002412900000000, 0.0009228300000000 ] - [ -0.1234407200000000, 0.0002867100000000, 0.0076350500000000 ] - [ 0.0001256000000000, -0.0030250100000000, -0.0008318700000000 ] - [ -0.0001117600000000, -0.0000281900000000, 0.0003074400000000 ] - [ 0.0005119700000000, 0.0000794700000000, 0.0001814600000000 ] - [ 0.0026874100000000, 0.0045253900000000, -0.0119262600000000 ] - [ 0.0039794400000000, 0.0003994000000000, -0.0010673600000000 ] - [ -0.0002286500000000, -0.0001229100000000, 0.0002116900000000 ] - [ -0.0002117200000000, 0.0002313700000000, -0.0020009700000000 ] - [ -0.0007406800000000, -0.0001118800000000, 0.0009084600000000 ] - [ -0.0007582400000000, -0.0005994100000000, 0.0008126900000000 ] - [ 0.0030671400000000, 0.0010715200000000, 0.0260127800000000 ] - [ 0.0016540800000000, 0.0007799600000000, 0.0018438400000000 ] - [ -0.0038861500000000, 0.0003063300000000, -0.0018625300000000 ] - [ 0.0338536600000000, -0.0055810200000000, 0.0138018300000000 ] - [ -0.0000439600000000, -0.0008373700000000, 0.0011087400000000 ] - [ 0.0002938800000000, -0.0004399100000000, 0.0002957900000000 ]- atom: 69 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ -0.0032235000000000, -0.0003157000000000, -0.0011055300000000 ] - [ -0.0489285700000000, 0.0214629700000000, 0.0230887400000000 ] - [ 0.0009837700000000, 0.0003265900000000, 0.0002356400000000 ] - [ -0.0003972200000000, 0.0003256700000000, 0.0002355500000000 ] - [ -0.0007599900000000, -0.0003302600000000, -0.0003924500000000 ] - [ 0.0099100400000000, 0.0008510700000000, -0.0017080300000000 ] - [ -0.0004014000000000, -0.0002069300000000, 0.0008290900000000 ] - [ 0.0001008400000000, -0.0001942400000000, -0.0003993300000000 ] - [ 0.0000976300000000, -0.0000412000000000, -0.0005814200000000 ] - [ 0.0003057200000000, 0.0000804800000000, -0.0018375800000000 ] - [ 0.0000128100000000, 0.0001527600000000, -0.0004375100000000 ] - [ 0.0012349600000000, 0.0003837800000000, -0.0013290900000000 ] - [ 0.0024087700000000, 0.0002439400000000, -0.0004491800000000 ] - [ 0.0029596800000000, 0.0002357000000000, -0.0023277300000000 ] - [ -0.0012745400000000, -0.0001486100000000, 0.0003733500000000 ] - [ 0.0000271100000000, -0.0000344100000000, -0.0002991800000000 ] - [ -0.0006002400000000, 0.0012458300000000, -0.0005488700000000 ] - [ 0.0013785300000000, 0.0006676900000000, -0.0014612000000000 ] - [ -0.0005314800000000, 0.0004593400000000, -0.0002078000000000 ] - [ 0.0007686300000000, 0.0005173900000000, -0.0000281900000000 ] - [ -0.0006469400000000, -0.0000959200000000, 0.0000469500000000 ] - [ -0.0039116200000000, 0.0023848300000000, 0.0113260000000000 ] - [ -0.0003735200000000, -0.0002232800000000, -0.0000346300000000 ] - [ 0.0006032600000000, -0.0002469200000000, -0.0001257300000000 ] - [ 0.0001275900000000, 0.0000300400000000, -0.0000405300000000 ] - [ 0.0053025800000000, -0.0026696200000000, 0.0042254200000000 ] - [ 0.0002389500000000, 0.0003867900000000, 0.0006496000000000 ] - [ -0.0013132400000000, 0.0006827300000000, -0.0004304600000000 ] - [ -0.0415480000000000, -0.0255783500000000, -0.0157900000000000 ] - [ 0.0016332300000000, -0.0008822400000000, 0.0007132000000000 ] - [ 0.0002754000000000, 0.0004878400000000, 0.0003789000000000 ] - [ -0.0003823500000000, 0.0003855900000000, 0.0003072700000000 ] - [ -0.0004746700000000, 0.0002736500000000, -0.0000256700000000 ] - [ 0.0001823400000000, -0.0001892900000000, 0.0014990900000000 ] - [ -0.0048613400000000, -0.0004046600000000, 0.0052597800000000 ] - [ 0.0003378900000000, -0.0001323300000000, 0.0001643000000000 ] - [ -0.0000142400000000, 0.0006984800000000, 0.0010461800000000 ] - [ 0.0002034600000000, 0.0004705700000000, 0.0001550400000000 ] - [ 0.0068367900000000, 0.0003618700000000, 0.0054936900000000 ] - [ -0.0015928300000000, -0.0004075800000000, -0.0001076300000000 ] - [ -0.0001435400000000, 0.0001132500000000, 0.0000057300000000 ] - [ 0.0002148500000000, 0.0000243000000000, 0.0005302700000000 ] - [ 0.0043840000000000, -0.0050997800000000, 0.0034862800000000 ] - [ -0.0039938800000000, 0.0027447200000000, -0.0026478700000000 ] - [ 0.0010796000000000, 0.0007872900000000, 0.0005148200000000 ] - [ 0.0018035400000000, 0.0047639800000000, 0.0053166200000000 ] - [ -0.0001836700000000, -0.0005619300000000, 0.0005728800000000 ] - [ 0.0010783200000000, -0.0010167600000000, -0.0015533400000000 ] - [ 0.0011722000000000, -0.0022483400000000, 0.0047702000000000 ] - [ 0.0009466300000000, 0.0005906500000000, -0.0012359000000000 ] - [ -0.0002899000000000, 0.0004897200000000, -0.0005526100000000 ] - [ -0.0002730900000000, -0.0000749900000000, -0.0000517800000000 ] - [ 0.0013315800000000, 0.0025007800000000, 0.0031120500000000 ] - [ 0.0012984500000000, -0.0007627400000000, -0.0022000600000000 ] - [ -0.0005196700000000, -0.0007233200000000, -0.0005649700000000 ] - [ -0.0002136900000000, -0.0002762900000000, -0.0001960600000000 ] - [ -0.0036499800000000, -0.0014987500000000, 0.0011769400000000 ] - [ -0.0056385600000000, 0.0039424600000000, 0.0006664800000000 ] - [ 0.0002285300000000, -0.0001929600000000, -0.0001666600000000 ] - [ 0.0000131100000000, -0.0001928300000000, -0.0001444400000000 ] - [ 0.0001369600000000, -0.0005666000000000, 0.0002892100000000 ] - [ -0.0059990600000000, -0.0010644300000000, 0.0043222400000000 ] - [ 0.0000138500000000, -0.0001476100000000, 0.0005100400000000 ] - [ 0.0007743800000000, 0.0001593600000000, -0.0001744400000000 ] - [ 0.0009683400000000, -0.0028592900000000, 0.0006936700000000 ] - [ -0.0052035500000000, 0.0007177300000000, -0.0023003400000000 ] - [ 0.0007158600000000, -0.0005412400000000, -0.0018620800000000 ] - [ 0.0003932700000000, 0.0000836200000000, -0.0004055100000000 ] - [ 0.1258135300000000, -0.0038872000000000, -0.0106788000000000 ] - [ -0.0005530400000000, 0.0029010400000000, 0.0008987100000000 ] - [ -0.0003265100000000, 0.0001588200000000, -0.0002465700000000 ] - [ -0.0000768400000000, 0.0000533000000000, -0.0002426000000000 ] - [ -0.0030556000000000, -0.0042764800000000, 0.0115273500000000 ] - [ -0.0037311800000000, -0.0001761600000000, 0.0014727900000000 ] - [ 0.0004878300000000, -0.0001030900000000, 0.0001912400000000 ] - [ -0.0000382700000000, -0.0004583400000000, 0.0015984100000000 ] - [ 0.0011801500000000, -0.0006980100000000, 0.0000179500000000 ] - [ 0.0003270700000000, -0.0002098500000000, -0.0017473200000000 ] - [ -0.0034661100000000, -0.0002128500000000, -0.0268949300000000 ] - [ -0.0012145300000000, 0.0000208200000000, -0.0009142200000000 ] - [ 0.0040920100000000, 0.0008127600000000, 0.0014858400000000 ] - [ -0.0343274700000000, 0.0067943500000000, -0.0133330900000000 ] - [ -0.0001531900000000, -0.0002124600000000, -0.0007101500000000 ] - [ -0.0000970200000000, -0.0006107200000000, -0.0006960600000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0052308900000000, -0.0065640400000000, -0.0033003300000000 ] - [ -0.0172060400000000, 0.0112008000000000, 0.0098383400000000 ] - [ 0.0006297300000000, 0.0003689200000000, -0.0002228100000000 ] - [ -0.0006444300000000, 0.0002920800000000, -0.0001158000000000 ] - [ 0.0034206600000000, -0.0062045500000000, -0.0053734800000000 ] - [ 0.0026322800000000, 0.0002974700000000, 0.0012008700000000 ] - [ -0.0001040800000000, -0.0002180800000000, 0.0001961500000000 ] - [ 0.0001381600000000, -0.0002239300000000, -0.0005431000000000 ] - [ 0.0003926000000000, -0.0004415200000000, -0.0015653800000000 ] - [ -0.0004088500000000, 0.0001794300000000, -0.0005358000000000 ] - [ 0.0004498400000000, 0.0012199800000000, -0.0004563600000000 ] - [ 0.0004818000000000, -0.0000133900000000, 0.0001297400000000 ] - [ 0.0018426200000000, -0.0004488400000000, 0.0004872300000000 ] - [ 0.0005240300000000, 0.0014321200000000, 0.0016932000000000 ] - [ -0.0002018100000000, -0.0000146900000000, 0.0000000500000000 ] - [ 0.0002195000000000, -0.0001476900000000, -0.0007236100000000 ] - [ -0.0009125400000000, -0.0002679100000000, 0.0032389300000000 ] - [ -0.0012815100000000, 0.0008411000000000, 0.0001908400000000 ] - [ -0.0003873100000000, 0.0000553300000000, -0.0003440600000000 ] - [ 0.0003449000000000, 0.0008086200000000, -0.0000575200000000 ] - [ -0.0001500900000000, -0.0014761800000000, 0.0000028600000000 ] - [ -0.0012162100000000, 0.0095476400000000, 0.0169972400000000 ] - [ -0.0001798400000000, -0.0000239400000000, -0.0005126500000000 ] - [ 0.0004042000000000, -0.0002375700000000, -0.0002753300000000 ] - [ -0.0003082700000000, -0.0007910700000000, -0.0008439100000000 ] - [ -0.0011315500000000, 0.0023632900000000, -0.0030908200000000 ] - [ 0.0006977500000000, 0.0004856600000000, 0.0003267300000000 ] - [ -0.0009619200000000, 0.0002050900000000, 0.0004952800000000 ] - [ 0.0228356300000000, 0.0158307300000000, 0.0067950200000000 ] - [ 0.0004792100000000, -0.0007060300000000, -0.0002357400000000 ] - [ 0.0003487200000000, 0.0003062400000000, 0.0002925800000000 ] - [ -0.0004469800000000, 0.0005141200000000, -0.0003169200000000 ] - [ 0.0002652000000000, -0.0005225400000000, 0.0002867500000000 ] - [ -0.0001538300000000, 0.0000460200000000, 0.0007379300000000 ] - [ 0.0013235300000000, 0.0013376100000000, -0.0032629800000000 ] - [ 0.0000037000000000, -0.0000615500000000, -0.0009272500000000 ] - [ -0.0002082000000000, 0.0005900800000000, 0.0005001300000000 ] - [ 0.0000897700000000, 0.0006597000000000, -0.0013102200000000 ] - [ 0.0010627300000000, 0.0010996600000000, 0.0020482600000000 ] - [ 0.0003516500000000, -0.0114003800000000, 0.0036855100000000 ] - [ -0.0002039300000000, 0.0000038200000000, -0.0002639100000000 ] - [ 0.0002377700000000, 0.0004091300000000, -0.0000867400000000 ] - [ 0.0014166700000000, -0.0032989000000000, 0.0015729900000000 ] - [ -0.0014926300000000, 0.0383154000000000, -0.0260340700000000 ] - [ 0.0002665700000000, 0.0012310400000000, -0.0001511300000000 ] - [ -0.0000802900000000, -0.0028852300000000, -0.0023977800000000 ] - [ -0.0000615300000000, -0.0002221500000000, -0.0001341800000000 ] - [ -0.0005278200000000, -0.0007261000000000, 0.0002279200000000 ] - [ 0.0025801100000000, -0.0025267200000000, -0.0037508400000000 ] - [ -0.0000580800000000, 0.0011658700000000, -0.0002460300000000 ] - [ -0.0001434400000000, -0.0004822300000000, 0.0001506000000000 ] - [ -0.0000474300000000, 0.0001358800000000, 0.0000852500000000 ] - [ -0.0005847700000000, 0.0028577400000000, 0.0015736000000000 ] - [ 0.0012460100000000, 0.0000685000000000, 0.0027521900000000 ] - [ -0.0000169800000000, -0.0000061000000000, 0.0003650900000000 ] - [ -0.0000138700000000, -0.0004571900000000, 0.0000640800000000 ] - [ 0.0008665900000000, 0.0026341400000000, -0.0009010200000000 ] - [ -0.0046819700000000, -0.0009525300000000, -0.0001134400000000 ] - [ 0.0001447800000000, -0.0000562700000000, 0.0001003100000000 ] - [ -0.0000860000000000, -0.0003411600000000, 0.0001167500000000 ] - [ 0.0007566700000000, 0.0028451300000000, 0.0025510000000000 ] - [ 0.0003401100000000, -0.0018108500000000, 0.0016028500000000 ] - [ -0.0003185900000000, 0.0000717900000000, 0.0005061600000000 ] - [ 0.0008935600000000, -0.0001999400000000, -0.0005587500000000 ] - [ -0.0024136300000000, 0.0034020300000000, -0.0022424600000000 ] - [ -0.0009786100000000, -0.0006280200000000, -0.0010371800000000 ] - [ -0.0006266100000000, 0.0010659500000000, 0.0009857900000000 ] - [ 0.0003421800000000, -0.0000199400000000, 0.0005670300000000 ] - [ 0.0021049500000000, -0.0917229600000000, -0.0096851900000000 ] - [ 0.0027230000000000, 0.0033654700000000, -0.0002966400000000 ] - [ -0.0003193800000000, -0.0000826000000000, 0.0002130600000000 ] - [ 0.0002137900000000, 0.0001256800000000, 0.0002911200000000 ] - [ 0.0003814800000000, -0.0067242100000000, -0.0072210900000000 ] - [ -0.0006202200000000, 0.0001182900000000, -0.0009689900000000 ] - [ -0.0000423800000000, 0.0001698500000000, 0.0011143100000000 ] - [ -0.0002431100000000, -0.0003631200000000, 0.0007451700000000 ] - [ 0.0005342700000000, 0.0006127500000000, -0.0003117900000000 ] - [ 0.0000564300000000, -0.0007165800000000, -0.0003892900000000 ] - [ 0.0013643700000000, -0.0008439000000000, 0.0152182700000000 ] - [ -0.0002203300000000, 0.0001073300000000, 0.0013005400000000 ] - [ 0.0004439400000000, 0.0364682500000000, 0.0075913100000000 ] - [ -0.0109338400000000, 0.0012156500000000, -0.0089223600000000 ] - [ -0.0001498700000000, -0.0008782200000000, 0.0008583900000000 ] - [ 0.0001482000000000, -0.0003625400000000, 0.0000295100000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0039430300000000, 0.0059471600000000, 0.0032843500000000 ] - [ 0.0182305200000000, -0.0119474000000000, -0.0097971600000000 ] - [ 0.0006735000000000, 0.0002735700000000, 0.0002424100000000 ] - [ -0.0006485300000000, 0.0003461700000000, 0.0001058000000000 ] - [ -0.0030871800000000, 0.0066608100000000, 0.0043514400000000 ] - [ -0.0029907300000000, 0.0001277200000000, -0.0001747200000000 ] - [ -0.0002436400000000, -0.0002137300000000, 0.0008345100000000 ] - [ 0.0002079100000000, -0.0002099800000000, -0.0004883100000000 ] - [ 0.0003367400000000, 0.0003164300000000, 0.0006414100000000 ] - [ -0.0003158300000000, -0.0003011600000000, 0.0014680300000000 ] - [ -0.0011675700000000, -0.0010804900000000, 0.0013751400000000 ] - [ 0.0002472000000000, 0.0001355800000000, -0.0010717900000000 ] - [ -0.0011511500000000, 0.0006525800000000, -0.0013632200000000 ] - [ -0.0012142700000000, -0.0012111400000000, -0.0008421500000000 ] - [ -0.0005061900000000, -0.0001889400000000, 0.0008599300000000 ] - [ 0.0004808300000000, -0.0000553800000000, -0.0001338100000000 ] - [ 0.0017698600000000, -0.0003328900000000, -0.0027673300000000 ] - [ 0.0004073000000000, -0.0014908400000000, -0.0006163700000000 ] - [ -0.0004977400000000, 0.0005989100000000, -0.0000690800000000 ] - [ 0.0005399300000000, -0.0001603300000000, 0.0004768100000000 ] - [ -0.0000430900000000, 0.0004213200000000, 0.0000083800000000 ] - [ 0.0017952100000000, -0.0089884300000000, -0.0164888600000000 ] - [ -0.0004379600000000, -0.0002319600000000, 0.0001904800000000 ] - [ 0.0002162800000000, -0.0000271000000000, 0.0006071200000000 ] - [ -0.0012339000000000, -0.0000747200000000, 0.0003569500000000 ] - [ 0.0026642200000000, -0.0032394500000000, 0.0035857500000000 ] - [ 0.0008385600000000, 0.0003821900000000, 0.0001721100000000 ] - [ -0.0005678500000000, 0.0006575100000000, -0.0009928600000000 ] - [ -0.0230047900000000, -0.0166802000000000, -0.0068074000000000 ] - [ 0.0002914600000000, -0.0001788700000000, 0.0005453200000000 ] - [ 0.0004188300000000, 0.0005705600000000, 0.0000018000000000 ] - [ -0.0003279400000000, 0.0003690500000000, 0.0000208100000000 ] - [ -0.0000219300000000, 0.0005030100000000, -0.0012742000000000 ] - [ -0.0000931200000000, -0.0000660400000000, 0.0002435500000000 ] - [ -0.0015632200000000, -0.0013144400000000, 0.0042588100000000 ] - [ 0.0002333900000000, 0.0000792200000000, -0.0000507700000000 ] - [ -0.0001074500000000, 0.0006370300000000, 0.0008779800000000 ] - [ 0.0002328100000000, 0.0005708200000000, -0.0000617200000000 ] - [ -0.0007583200000000, -0.0023387600000000, -0.0034380800000000 ] - [ -0.0006817800000000, 0.0100906700000000, -0.0023189400000000 ] - [ -0.0002123200000000, 0.0003043400000000, -0.0000356300000000 ] - [ 0.0001780500000000, -0.0000933500000000, 0.0003845200000000 ] - [ -0.0009952200000000, 0.0030166600000000, -0.0012878800000000 ] - [ 0.0012110300000000, -0.0414720800000000, 0.0273712600000000 ] - [ -0.0004539600000000, -0.0001903400000000, 0.0001685600000000 ] - [ 0.0002718800000000, 0.0039659900000000, 0.0024061700000000 ] - [ 0.0002579400000000, -0.0008492100000000, 0.0001257800000000 ] - [ -0.0000867700000000, 0.0009854700000000, -0.0005685800000000 ] - [ -0.0025700200000000, 0.0024836100000000, 0.0037796500000000 ] - [ 0.0000381500000000, -0.0012336100000000, 0.0002097600000000 ] - [ 0.0001306900000000, 0.0005470100000000, -0.0001772800000000 ] - [ 0.0000599400000000, -0.0000790900000000, -0.0000595600000000 ] - [ 0.0007110900000000, -0.0020851900000000, -0.0017002900000000 ] - [ -0.0013890000000000, 0.0007270500000000, -0.0026241000000000 ] - [ -0.0001225400000000, -0.0007737300000000, -0.0002287700000000 ] - [ 0.0001525000000000, -0.0003200400000000, -0.0002011200000000 ] - [ -0.0010779900000000, -0.0022565000000000, 0.0009247500000000 ] - [ 0.0049316300000000, 0.0013599000000000, 0.0000907500000000 ] - [ 0.0000829600000000, -0.0003351500000000, -0.0001203600000000 ] - [ -0.0001421500000000, -0.0000474700000000, -0.0000968000000000 ] - [ 0.0004012300000000, -0.0030920900000000, -0.0033049500000000 ] - [ -0.0014854500000000, 0.0015659100000000, -0.0008939200000000 ] - [ -0.0008312000000000, 0.0001675400000000, 0.0002235600000000 ] - [ 0.0002498400000000, 0.0004503300000000, -0.0001582300000000 ] - [ 0.0029642100000000, -0.0037374100000000, 0.0027765700000000 ] - [ 0.0004405100000000, 0.0003075200000000, 0.0005257600000000 ] - [ 0.0000896100000000, -0.0007451600000000, -0.0015104900000000 ] - [ 0.0001997400000000, 0.0003478700000000, -0.0000501200000000 ] - [ -0.0020754600000000, 0.0946423900000000, 0.0073407300000000 ] - [ -0.0031860700000000, -0.0035141500000000, 0.0003598200000000 ] - [ -0.0001169100000000, 0.0002114000000000, -0.0001529300000000 ] - [ 0.0002224000000000, 0.0000038400000000, -0.0003524000000000 ] - [ -0.0006574700000000, 0.0067965500000000, 0.0068750400000000 ] - [ 0.0008760000000000, 0.0001121600000000, 0.0013851000000000 ] - [ 0.0003069500000000, -0.0003997200000000, -0.0007334600000000 ] - [ -0.0000099500000000, 0.0001331400000000, -0.0011478100000000 ] - [ -0.0001023700000000, -0.0014263000000000, 0.0012475200000000 ] - [ -0.0004976300000000, -0.0000942900000000, -0.0005423500000000 ] - [ -0.0018116200000000, 0.0016462300000000, -0.0162060900000000 ] - [ 0.0006602400000000, 0.0007150600000000, -0.0003772900000000 ] - [ -0.0002312400000000, -0.0356834500000000, -0.0078809800000000 ] - [ 0.0107567400000000, -0.0002001400000000, 0.0093587800000000 ] - [ -0.0000479000000000, -0.0001779000000000, -0.0004598000000000 ] - [ 0.0000465100000000, -0.0006916400000000, -0.0004349700000000 ]- atom: 69 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ -0.0005567100000000, 0.0004722600000000, 0.0036052300000000 ] - [ -0.0435194100000000, 0.0193097100000000, 0.0235845100000000 ] - [ 0.0006708200000000, 0.0004061500000000, -0.0015317400000000 ] - [ -0.0007068200000000, 0.0003061100000000, -0.0009680400000000 ] - [ -0.0023514200000000, 0.0012721800000000, 0.0055077000000000 ] - [ 0.0050711400000000, 0.0005547000000000, 0.0022512200000000 ] - [ 0.0002777900000000, -0.0004349000000000, -0.0016813700000000 ] - [ 0.0005947700000000, 0.0000112100000000, -0.0019298800000000 ] - [ -0.0000611500000000, -0.0001086100000000, -0.0021386600000000 ] - [ 0.0002553300000000, -0.0001087800000000, -0.0019360400000000 ] - [ 0.0017628600000000, 0.0024831700000000, -0.0063783400000000 ] - [ 0.0005543500000000, 0.0002903500000000, -0.0014994700000000 ] - [ 0.0006592000000000, 0.0002590900000000, -0.0000700700000000 ] - [ 0.0086325600000000, 0.0025621200000000, -0.0003228100000000 ] - [ -0.0002338600000000, -0.0000359100000000, -0.0008650500000000 ] - [ -0.0003307300000000, 0.0000019500000000, -0.0012738400000000 ] - [ 0.0014250200000000, 0.0090700100000000, -0.0017833600000000 ] - [ 0.0007026600000000, 0.0008036700000000, -0.0007206300000000 ] - [ -0.0005597200000000, 0.0011677700000000, -0.0014254000000000 ] - [ 0.0006677600000000, 0.0005729300000000, -0.0007551000000000 ] - [ -0.0002043000000000, -0.0012024500000000, -0.0010859700000000 ] - [ -0.0064459700000000, 0.0168412900000000, 0.0598705300000000 ] - [ 0.0000204100000000, 0.0000918900000000, -0.0017761300000000 ] - [ 0.0008816300000000, -0.0005533400000000, -0.0014481900000000 ] - [ 0.0006478000000000, 0.0005738400000000, 0.0004969300000000 ] - [ 0.0004064900000000, -0.0007508600000000, 0.0006842500000000 ] - [ -0.0004254100000000, 0.0003118900000000, -0.0007810400000000 ] - [ -0.0007869600000000, 0.0007892800000000, -0.0013790700000000 ] - [ -0.0033992700000000, -0.0027873800000000, 0.0040373700000000 ] - [ 0.0016738700000000, -0.0010911900000000, 0.0026214100000000 ] - [ -0.0000263000000000, 0.0002749400000000, -0.0016976800000000 ] - [ -0.0007828900000000, 0.0005096400000000, -0.0018846700000000 ] - [ 0.0001859600000000, 0.0000311900000000, -0.0015281800000000 ] - [ 0.0006281900000000, -0.0001268500000000, 0.0000576700000000 ] - [ -0.0028647600000000, -0.0016628700000000, -0.0027634300000000 ] - [ 0.0004755200000000, -0.0003659300000000, 0.0002981000000000 ] - [ -0.0002669200000000, 0.0001697100000000, -0.0004160300000000 ] - [ -0.0002968100000000, 0.0010917200000000, -0.0027805000000000 ] - [ 0.0027397800000000, 0.0013880100000000, 0.0062935200000000 ] - [ -0.0007631800000000, 0.0007961200000000, 0.0016342300000000 ] - [ -0.0001261200000000, 0.0003328100000000, -0.0010661600000000 ] - [ 0.0002526600000000, 0.0000037700000000, -0.0010423100000000 ] - [ 0.0029058700000000, -0.0033720100000000, 0.0050281400000000 ] - [ -0.0009085400000000, -0.0196583800000000, 0.0168455700000000 ] - [ 0.0016474800000000, -0.0005667600000000, 0.0005679500000000 ] - [ -0.0002222600000000, 0.0004342300000000, 0.0009148500000000 ] - [ -0.0007797600000000, -0.0007868000000000, -0.0008014800000000 ] - [ 0.0001804500000000, -0.0002192300000000, 0.0000987000000000 ] - [ -0.0026034000000000, -0.0035773700000000, 0.0065706200000000 ] - [ 0.0018056200000000, -0.0007452200000000, -0.0009612800000000 ] - [ 0.0000008700000000, -0.0000896900000000, 0.0007907000000000 ] - [ -0.0007657700000000, -0.0005484500000000, 0.0009056400000000 ] - [ -0.0008019500000000, 0.0026834800000000, 0.0021083400000000 ] - [ 0.0038155900000000, 0.0031051500000000, 0.0004086300000000 ] - [ -0.0000974900000000, -0.0003477800000000, 0.0007635200000000 ] - [ -0.0007021000000000, 0.0001762000000000, 0.0009992000000000 ] - [ -0.0015847200000000, -0.0004307200000000, -0.0024057900000000 ] - [ -0.0027816300000000, 0.0021544000000000, -0.0032659900000000 ] - [ 0.0001854200000000, -0.0002248000000000, 0.0009781400000000 ] - [ -0.0000309700000000, -0.0001708100000000, 0.0009932200000000 ] - [ -0.0010335100000000, -0.0034917900000000, -0.0017707300000000 ] - [ -0.0017563200000000, -0.0003892700000000, 0.0016422800000000 ] - [ 0.0012313700000000, -0.0009123900000000, 0.0039824900000000 ] - [ 0.0004549500000000, -0.0001244300000000, 0.0011269300000000 ] - [ 0.0009143300000000, -0.0003097000000000, 0.0009855500000000 ] - [ -0.0055729800000000, 0.0014616400000000, -0.0007638800000000 ] - [ -0.0003252800000000, 0.0009322800000000, 0.0027458200000000 ] - [ 0.0009766400000000, 0.0005495700000000, 0.0007618200000000 ] - [ 0.0705134300000000, -0.0083306400000000, -0.1190052000000000 ] - [ -0.0011322600000000, 0.0016834000000000, -0.0014982700000000 ] - [ -0.0000274800000000, 0.0002663600000000, 0.0018340900000000 ] - [ 0.0002536300000000, -0.0002226000000000, 0.0016398500000000 ] - [ -0.0212248800000000, -0.0216039100000000, 0.0253957700000000 ] - [ -0.0010930700000000, -0.0010180400000000, 0.0009401200000000 ] - [ 0.0005281300000000, -0.0007342400000000, 0.0030313900000000 ] - [ -0.0008732700000000, 0.0000506700000000, 0.0030420000000000 ] - [ 0.0006656700000000, -0.0003121500000000, 0.0030364600000000 ] - [ 0.0007958800000000, -0.0000154000000000, 0.0014880200000000 ] - [ 0.0094048200000000, 0.0047225000000000, 0.0013793700000000 ] - [ -0.0018440200000000, 0.0010615300000000, -0.0031205100000000 ] - [ 0.0029801800000000, -0.0044591700000000, -0.0119197700000000 ] - [ -0.0166047400000000, 0.0012074100000000, -0.0170976400000000 ] - [ -0.0006388300000000, -0.0009308900000000, 0.0036111900000000 ] - [ -0.0003329400000000, -0.0004165700000000, 0.0019806500000000 ]- atom: 69 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ -0.0007575000000000, -0.0011338600000000, -0.0035994000000000 ] - [ 0.0427921800000000, -0.0189972900000000, -0.0233338400000000 ] - [ 0.0006228600000000, 0.0002459700000000, 0.0015002900000000 ] - [ -0.0006034400000000, 0.0003479300000000, 0.0009899000000000 ] - [ 0.0026958500000000, -0.0008601300000000, -0.0065774800000000 ] - [ -0.0054184900000000, -0.0001459100000000, -0.0012094500000000 ] - [ -0.0006085200000000, 0.0000203000000000, 0.0027280500000000 ] - [ -0.0002646800000000, -0.0004228800000000, 0.0008764600000000 ] - [ 0.0008071300000000, -0.0000285300000000, 0.0011961600000000 ] - [ -0.0009941300000000, -0.0000283400000000, 0.0028767700000000 ] - [ -0.0024931400000000, -0.0023209600000000, 0.0072883700000000 ] - [ 0.0001985900000000, -0.0001495800000000, 0.0005582900000000 ] - [ 0.0000581300000000, -0.0000622700000000, -0.0007802700000000 ] - [ -0.0093600000000000, -0.0023775000000000, 0.0011958400000000 ] - [ -0.0004520800000000, -0.0001459000000000, 0.0017030500000000 ] - [ 0.0010291400000000, -0.0001838000000000, 0.0004403800000000 ] - [ -0.0005404700000000, -0.0097354300000000, 0.0022168300000000 ] - [ -0.0015896200000000, -0.0014459000000000, 0.0002982200000000 ] - [ -0.0003383800000000, -0.0005146700000000, 0.0010023700000000 ] - [ 0.0002288000000000, 0.0000699200000000, 0.0011801600000000 ] - [ 0.0000394000000000, 0.0001303000000000, 0.0011173700000000 ] - [ 0.0075450600000000, -0.0174164200000000, -0.0635738600000000 ] - [ -0.0006454700000000, -0.0003821900000000, 0.0014205800000000 ] - [ -0.0002520900000000, 0.0002596000000000, 0.0017961000000000 ] - [ -0.0021973600000000, -0.0014307100000000, -0.0009893000000000 ] - [ 0.0011413700000000, -0.0001053800000000, -0.0001722100000000 ] - [ 0.0019711500000000, 0.0005294600000000, 0.0012673000000000 ] - [ -0.0007658400000000, 0.0000565600000000, 0.0008931200000000 ] - [ 0.0021718900000000, 0.0016363200000000, -0.0045088700000000 ] - [ -0.0008794800000000, 0.0002022800000000, -0.0023249300000000 ] - [ 0.0008271500000000, 0.0006175400000000, 0.0020018800000000 ] - [ -0.0000135200000000, 0.0003794200000000, 0.0015888900000000 ] - [ 0.0000216800000000, -0.0000612400000000, 0.0005562900000000 ] - [ -0.0008535200000000, 0.0001001500000000, 0.0009251500000000 ] - [ 0.0025997100000000, 0.0016864000000000, 0.0037606700000000 ] - [ -0.0002729000000000, 0.0004093700000000, -0.0012961800000000 ] - [ -0.0000417400000000, 0.0010575400000000, 0.0017864900000000 ] - [ 0.0005964300000000, 0.0001303000000000, 0.0014104000000000 ] - [ -0.0024213600000000, -0.0026205700000000, -0.0076571600000000 ] - [ 0.0004361200000000, -0.0020467900000000, -0.0002714400000000 ] - [ -0.0003106600000000, -0.0000215700000000, 0.0007409600000000 ] - [ 0.0001812500000000, 0.0002935600000000, 0.0013652300000000 ] - [ -0.0024746100000000, 0.0030667700000000, -0.0047130500000000 ] - [ 0.0006684200000000, 0.0190594300000000, -0.0172341300000000 ] - [ -0.0018270600000000, 0.0016131400000000, -0.0005426100000000 ] - [ 0.0003971300000000, 0.0006173500000000, -0.0009145100000000 ] - [ 0.0009469100000000, -0.0002788700000000, 0.0007738100000000 ] - [ -0.0008072900000000, 0.0005115600000000, -0.0004444400000000 ] - [ 0.0025716500000000, 0.0034484900000000, -0.0064652700000000 ] - [ -0.0018203400000000, 0.0006771800000000, 0.0009482300000000 ] - [ -0.0000117900000000, 0.0001550000000000, -0.0008135300000000 ] - [ 0.0007745200000000, 0.0006136300000000, -0.0008851600000000 ] - [ 0.0009334300000000, -0.0018841000000000, -0.0022496500000000 ] - [ -0.0039641500000000, -0.0023321900000000, -0.0002615500000000 ] - [ -0.0000449600000000, -0.0004281900000000, -0.0006257500000000 ] - [ 0.0008404700000000, -0.0009525200000000, -0.0011411000000000 ] - [ 0.0013531800000000, 0.0008221400000000, 0.0024342300000000 ] - [ 0.0030086300000000, -0.0017702400000000, 0.0032697600000000 ] - [ 0.0000423100000000, -0.0001647800000000, -0.0009958100000000 ] - [ -0.0001975400000000, -0.0002168400000000, -0.0009732600000000 ] - [ 0.0021815600000000, 0.0032501000000000, 0.0010523700000000 ] - [ 0.0006054800000000, 0.0001374500000000, -0.0009337100000000 ] - [ -0.0023750400000000, 0.0011622100000000, -0.0032562700000000 ] - [ 0.0006811300000000, 0.0003817700000000, -0.0018405200000000 ] - [ -0.0003836500000000, -0.0000134300000000, -0.0004791700000000 ] - [ 0.0050483600000000, -0.0017920600000000, 0.0002436400000000 ] - [ -0.0002174500000000, -0.0006016300000000, -0.0032521500000000 ] - [ -0.0004400100000000, -0.0002242000000000, -0.0002430400000000 ] - [ -0.0683029500000000, 0.0086094300000000, 0.1231938100000000 ] - [ 0.0007127400000000, -0.0018090300000000, 0.0015598100000000 ] - [ -0.0004009200000000, -0.0001408900000000, -0.0017754300000000 ] - [ 0.0001719900000000, 0.0003493000000000, -0.0016997600000000 ] - [ 0.0210581700000000, 0.0218950400000000, -0.0261677000000000 ] - [ 0.0013493900000000, 0.0012514900000000, -0.0005467000000000 ] - [ -0.0002565400000000, 0.0004926200000000, -0.0026409700000000 ] - [ 0.0006042900000000, -0.0002890600000000, -0.0034421200000000 ] - [ -0.0002126800000000, -0.0004981500000000, -0.0021014400000000 ] - [ -0.0012357800000000, -0.0007993500000000, -0.0024238500000000 ] - [ -0.0097661900000000, -0.0038990600000000, -0.0024009900000000 ] - [ 0.0022951800000000, -0.0002426000000000, 0.0040643500000000 ] - [ -0.0028136900000000, 0.0055896400000000, 0.0115622500000000 ] - [ 0.0164445900000000, -0.0001432400000000, 0.0175522800000000 ] - [ 0.0004613000000000, -0.0001212400000000, -0.0031958100000000 ] - [ 0.0005123100000000, -0.0006372000000000, -0.0023822800000000 ]- atom: 73 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ -0.0035863200000000, -0.0011977200000000, 0.0006814100000000 ] - [ -0.0066871200000000, 0.0005608400000000, 0.0005896900000000 ] - [ 0.0009499200000000, 0.0003484800000000, 0.0003683500000000 ] - [ -0.0002757500000000, 0.0002543600000000, 0.0002880500000000 ] - [ 0.0023327200000000, 0.0018157100000000, 0.0027467100000000 ] - [ -0.0045511900000000, 0.0002597700000000, -0.0030491800000000 ] - [ 0.0000711000000000, -0.0004303200000000, 0.0023305500000000 ] - [ -0.0001922200000000, -0.0002736300000000, -0.0000505900000000 ] - [ -0.0002894700000000, 0.0019763300000000, -0.0060914900000000 ] - [ -0.0006330000000000, -0.0000684100000000, 0.0004737100000000 ] - [ 0.0410777600000000, -0.0060115700000000, -0.0149218800000000 ] - [ 0.0005307400000000, 0.0001013200000000, -0.0003416200000000 ] - [ 0.0012598900000000, 0.0001646500000000, -0.0006065900000000 ] - [ 0.2089328400000000, 0.0053654900000000, 0.0785360600000000 ] - [ -0.0004651100000000, -0.0001028600000000, 0.0006579700000000 ] - [ -0.0006637300000000, -0.0000332000000000, -0.0014926500000000 ] - [ 0.0842875400000000, -0.0802172300000000, -0.0176955500000000 ] - [ -0.0007274600000000, 0.0001079800000000, -0.0004391000000000 ] - [ 0.0008158500000000, -0.0013785300000000, -0.0018312300000000 ] - [ 0.0004412700000000, 0.0004193600000000, 0.0003776600000000 ] - [ -0.0001785900000000, -0.0006488500000000, 0.0003461300000000 ] - [ 0.0962546400000000, 0.0802203900000000, -0.0456592800000000 ] - [ 0.0006909300000000, 0.0004306800000000, -0.0013210200000000 ] - [ 0.0002357300000000, -0.0000646700000000, 0.0005013200000000 ] - [ 0.0039989600000000, -0.0011950100000000, -0.0009802300000000 ] - [ 0.0015896600000000, -0.0007695300000000, 0.0004477500000000 ] - [ -0.0035068800000000, -0.0013955500000000, -0.0032172800000000 ] - [ -0.0010310700000000, 0.0004369000000000, 0.0000850500000000 ] - [ 0.0039225500000000, 0.0009883800000000, 0.0018137400000000 ] - [ -0.0014259600000000, 0.0008041300000000, -0.0020946700000000 ] - [ 0.0004229000000000, 0.0004752000000000, 0.0003588200000000 ] - [ -0.0023301400000000, 0.0004304300000000, 0.0008915900000000 ] - [ 0.0000778400000000, 0.0000037500000000, 0.0000878300000000 ] - [ -0.0083919900000000, 0.0004985400000000, 0.0077147000000000 ] - [ 0.0002715900000000, 0.0001887600000000, 0.0006135500000000 ] - [ -0.0033653400000000, 0.0015446500000000, -0.0000692600000000 ] - [ -0.0004638100000000, 0.0008757200000000, 0.0014525000000000 ] - [ 0.0001959700000000, 0.0004128300000000, -0.0001099200000000 ] - [ -0.0091137400000000, -0.0006143500000000, -0.0035456800000000 ] - [ 0.0000528100000000, -0.0017817800000000, 0.0023967100000000 ] - [ -0.0003868700000000, -0.0001501100000000, 0.0004841700000000 ] - [ 0.0002491600000000, 0.0005416700000000, 0.0003698100000000 ] - [ -0.0048224500000000, -0.0011152300000000, -0.0008775800000000 ] - [ -0.0010564000000000, -0.0033635000000000, 0.0038029300000000 ] - [ -0.0032872200000000, 0.0104743900000000, 0.0014688300000000 ] - [ 0.0005631100000000, 0.0006904500000000, 0.0005940800000000 ] - [ -0.0033904200000000, -0.0001765100000000, -0.0010775500000000 ] - [ -0.0008092700000000, -0.0000707000000000, -0.0004961000000000 ] - [ 0.0006303300000000, -0.0002177700000000, -0.0008732300000000 ] - [ 0.0063324900000000, -0.0037189300000000, 0.0010135400000000 ] - [ -0.0001087200000000, -0.0000099600000000, -0.0002147900000000 ] - [ -0.0001003300000000, 0.0025728900000000, -0.0050158600000000 ] - [ 0.0006201800000000, 0.0004563900000000, -0.0006129100000000 ] - [ 0.0062122100000000, 0.0045856500000000, 0.0009374200000000 ] - [ -0.0001763800000000, -0.0003404800000000, -0.0001622800000000 ] - [ -0.0005968200000000, -0.0014249000000000, -0.0030290100000000 ] - [ -0.0010931000000000, 0.0063238200000000, 0.0067695400000000 ] - [ -0.0027780700000000, -0.0038384300000000, 0.0034121300000000 ] - [ 0.0002905000000000, 0.0000222500000000, 0.0001276500000000 ] - [ -0.0000085500000000, -0.0004806500000000, -0.0000687000000000 ] - [ -0.0111859000000000, -0.0091953100000000, 0.0032218800000000 ] - [ -0.0006062600000000, -0.0008585400000000, 0.0020429700000000 ] - [ -0.0033819800000000, 0.0032166000000000, 0.0080343600000000 ] - [ 0.0007666600000000, 0.0001000600000000, -0.0006960800000000 ] - [ -0.0011711700000000, -0.0000121200000000, -0.0008165800000000 ] - [ 0.0340303800000000, -0.0137246200000000, -0.0091626300000000 ] - [ -0.0002374100000000, 0.0002976400000000, -0.0008633300000000 ] - [ 0.0022680000000000, 0.0001572400000000, -0.0007636400000000 ] - [ 0.0031040900000000, 0.0004361200000000, -0.0226926200000000 ] - [ 0.0036528200000000, 0.0006865900000000, 0.0008203500000000 ] - [ -0.0005694400000000, -0.0001117000000000, 0.0002774100000000 ] - [ 0.0001166000000000, 0.0001849300000000, -0.0009378100000000 ] - [ -0.4562236200000000, 0.0063190500000000, 0.0078454100000000 ] - [ -0.0002943800000000, 0.0001035100000000, 0.0004186300000000 ] - [ -0.0010974300000000, -0.0001567400000000, 0.0069277200000000 ] - [ -0.0000841200000000, -0.0002914500000000, -0.0005754300000000 ] - [ 0.0005381300000000, -0.0003691400000000, -0.0002327300000000 ] - [ 0.0115540400000000, 0.0000678400000000, -0.0010639200000000 ] - [ -0.0004598700000000, 0.0008992100000000, -0.0018086800000000 ] - [ 0.0059172400000000, -0.0059757900000000, 0.0038098700000000 ] - [ 0.0025445800000000, 0.0042153500000000, -0.0033126800000000 ] - [ 0.0135894400000000, 0.0019136000000000, 0.0051172600000000 ] - [ 0.0003112700000000, -0.0007032700000000, -0.0010353800000000 ] - [ 0.0001006300000000, -0.0004608300000000, -0.0013490600000000 ]- atom: 73 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ 0.0022603500000000, 0.0005420000000000, -0.0006765300000000 ] - [ 0.0079869500000000, -0.0012038400000000, -0.0006129000000000 ] - [ 0.0003517800000000, 0.0002981800000000, -0.0003865600000000 ] - [ -0.0010225500000000, 0.0003927100000000, -0.0002790300000000 ] - [ -0.0019985200000000, -0.0013929300000000, -0.0037710600000000 ] - [ 0.0042372400000000, 0.0001566100000000, 0.0040928900000000 ] - [ -0.0004109500000000, 0.0000157600000000, -0.0012958700000000 ] - [ 0.0005187200000000, -0.0001424100000000, -0.0009924900000000 ] - [ 0.0010162200000000, -0.0020968600000000, 0.0051115500000000 ] - [ -0.0001146100000000, -0.0000719700000000, 0.0004810700000000 ] - [ -0.0419829200000000, 0.0062627100000000, 0.0167218400000000 ] - [ 0.0002173900000000, 0.0000364900000000, -0.0006000600000000 ] - [ -0.0005543800000000, 0.0000297500000000, -0.0002442800000000 ] - [ -0.1984532500000000, -0.0048575700000000, -0.0719097800000000 ] - [ -0.0002374700000000, -0.0000911600000000, 0.0001905800000000 ] - [ 0.0013368900000000, -0.0001495100000000, 0.0006546400000000 ] - [ -0.0837525200000000, 0.0821159000000000, 0.0186493300000000 ] - [ -0.0001645600000000, -0.0007552700000000, 0.0000160100000000 ] - [ -0.0017268600000000, 0.0020500600000000, 0.0013920000000000 ] - [ 0.0004541200000000, 0.0002302200000000, 0.0000475500000000 ] - [ -0.0000003900000000, -0.0004117400000000, -0.0003257900000000 ] - [ -0.0969810500000000, -0.0830688100000000, 0.0481006700000000 ] - [ -0.0013144000000000, -0.0007166200000000, 0.0009639500000000 ] - [ 0.0003865200000000, -0.0002135200000000, -0.0001585700000000 ] - [ -0.0055405800000000, 0.0003089400000000, 0.0004805200000000 ] - [ -0.0000374000000000, -0.0000876300000000, 0.0000472800000000 ] - [ 0.0050594400000000, 0.0022630000000000, 0.0037654500000000 ] - [ -0.0005253200000000, 0.0004230600000000, -0.0005769100000000 ] - [ -0.0047118500000000, -0.0018741100000000, -0.0021173900000000 ] - [ 0.0022211000000000, -0.0016913500000000, 0.0023803500000000 ] - [ 0.0003684100000000, 0.0004111900000000, -0.0000536700000000 ] - [ 0.0015484600000000, 0.0004543100000000, -0.0011716800000000 ] - [ 0.0001404100000000, -0.0000387300000000, -0.0010712000000000 ] - [ 0.0081132800000000, -0.0005203600000000, -0.0066869700000000 ] - [ -0.0004967900000000, -0.0001536900000000, 0.0003784800000000 ] - [ 0.0035858000000000, -0.0014960200000000, -0.0009373800000000 ] - [ 0.0001630800000000, 0.0003534800000000, -0.0000781700000000 ] - [ 0.0001247900000000, 0.0008192000000000, -0.0012517600000000 ] - [ 0.0094821400000000, -0.0006298500000000, 0.0021563800000000 ] - [ -0.0003770400000000, 0.0005508900000000, -0.0010384800000000 ] - [ -0.0000464100000000, 0.0004575600000000, -0.0007931900000000 ] - [ 0.0001872800000000, -0.0002286500000000, -0.0000487800000000 ] - [ 0.0052729100000000, 0.0008028600000000, 0.0011809500000000 ] - [ 0.0006091800000000, 0.0030344000000000, -0.0041016700000000 ] - [ 0.0030971500000000, -0.0093610600000000, -0.0014547000000000 ] - [ -0.0003913800000000, 0.0003605400000000, -0.0006134700000000 ] - [ 0.0035547700000000, -0.0008710600000000, 0.0010650200000000 ] - [ 0.0001867100000000, 0.0003562000000000, 0.0001379200000000 ] - [ -0.0006190200000000, 0.0001457100000000, 0.0008879400000000 ] - [ -0.0063713000000000, 0.0037132500000000, -0.0010361500000000 ] - [ 0.0000982100000000, 0.0000799400000000, 0.0001956500000000 ] - [ 0.0000868600000000, -0.0024830300000000, 0.0050016600000000 ] - [ -0.0004796700000000, 0.0003243700000000, 0.0004674300000000 ] - [ -0.0063568800000000, -0.0038622500000000, -0.0007817700000000 ] - [ 0.0000360800000000, -0.0004395600000000, 0.0003059400000000 ] - [ 0.0007158400000000, 0.0006322200000000, 0.0028683900000000 ] - [ 0.0008560800000000, -0.0059155100000000, -0.0067184900000000 ] - [ 0.0029937600000000, 0.0042217900000000, -0.0034230000000000 ] - [ -0.0000586200000000, -0.0004098500000000, -0.0001524500000000 ] - [ -0.0002150800000000, 0.0000893900000000, 0.0000822000000000 ] - [ 0.0122875100000000, 0.0089086300000000, -0.0039307400000000 ] - [ -0.0005379300000000, 0.0006002500000000, -0.0013287900000000 ] - [ 0.0023239900000000, -0.0029514500000000, -0.0073090300000000 ] - [ 0.0003723000000000, 0.0001566200000000, -0.0000230500000000 ] - [ 0.0017037900000000, -0.0003127900000000, 0.0013278200000000 ] - [ -0.0342572000000000, 0.0132992300000000, 0.0086802300000000 ] - [ -0.0002941400000000, 0.0000243400000000, 0.0003444400000000 ] - [ -0.0017282400000000, 0.0001507300000000, 0.0012679600000000 ] - [ -0.0026212800000000, -0.0005996600000000, 0.0226757600000000 ] - [ -0.0040643700000000, -0.0008010100000000, -0.0007498300000000 ] - [ 0.0001421600000000, 0.0002338500000000, -0.0002136200000000 ] - [ 0.0002929300000000, -0.0000573500000000, 0.0008648700000000 ] - [ 0.4463595500000000, -0.0058280800000000, -0.0175522000000000 ] - [ 0.0005581400000000, 0.0001501300000000, -0.0000209800000000 ] - [ 0.0013951400000000, -0.0000902300000000, -0.0065223200000000 ] - [ -0.0001806400000000, 0.0000422100000000, 0.0001576800000000 ] - [ -0.0000890600000000, -0.0004498200000000, 0.0011638700000000 ] - [ -0.0119864200000000, -0.0009215800000000, 0.0000712400000000 ] - [ 0.0000190000000000, -0.0000761100000000, 0.0008690400000000 ] - [ -0.0054461700000000, 0.0067670600000000, -0.0028351200000000 ] - [ -0.0023419500000000, -0.0031390900000000, 0.0028923200000000 ] - [ -0.0138162200000000, -0.0008521900000000, -0.0046667700000000 ] - [ -0.0004912800000000, -0.0003559000000000, 0.0014455900000000 ] - [ 0.0000742700000000, -0.0005955800000000, 0.0009281700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001333300000000, -0.0039824100000000, -0.0018593300000000 ] - [ -0.0045204300000000, 0.0027797900000000, 0.0022658600000000 ] - [ 0.0009726900000000, 0.0003227200000000, -0.0004355500000000 ] - [ -0.0006244300000000, 0.0002600800000000, 0.0003011400000000 ] - [ 0.0014871800000000, -0.0087665900000000, -0.0058570800000000 ] - [ -0.0011201800000000, 0.0007153200000000, -0.0000054900000000 ] - [ -0.0006338500000000, 0.0000105500000000, -0.0002292500000000 ] - [ 0.0001026000000000, -0.0003300500000000, -0.0000900300000000 ] - [ 0.0019150100000000, -0.0077736400000000, 0.0034368500000000 ] - [ -0.0004257500000000, -0.0000514000000000, 0.0009793800000000 ] - [ -0.0071500600000000, 0.0429467800000000, 0.0342876300000000 ] - [ 0.0003931100000000, -0.0000009200000000, -0.0003941000000000 ] - [ 0.0003071700000000, -0.0001922600000000, -0.0007064500000000 ] - [ 0.0011449800000000, 0.0370620400000000, 0.0043502200000000 ] - [ -0.0004502900000000, -0.0001173500000000, 0.0006735500000000 ] - [ 0.0010933400000000, -0.0004848500000000, 0.0006059000000000 ] - [ -0.0882220000000000, 0.1952836300000000, 0.0306503100000000 ] - [ -0.0006133400000000, -0.0007943500000000, -0.0001577800000000 ] - [ -0.0001765700000000, 0.0015873800000000, 0.0028726900000000 ] - [ 0.0004320400000000, 0.0001706300000000, 0.0004356200000000 ] - [ -0.0001161900000000, -0.0002986600000000, 0.0001948600000000 ] - [ 0.0790349500000000, 0.1351565900000000, -0.0557314500000000 ] - [ -0.0010164500000000, -0.0011856400000000, 0.0007344600000000 ] - [ 0.0002522300000000, 0.0000051200000000, 0.0005105600000000 ] - [ -0.0095097800000000, -0.0078922700000000, -0.0003534600000000 ] - [ 0.0010906000000000, -0.0007088300000000, 0.0007325600000000 ] - [ 0.0019073500000000, 0.0033644500000000, 0.0021055400000000 ] - [ -0.0007935400000000, 0.0003046400000000, 0.0000458500000000 ] - [ 0.0015792500000000, 0.0024514900000000, 0.0035084200000000 ] - [ -0.0003069700000000, -0.0023099200000000, -0.0010510400000000 ] - [ 0.0004483000000000, 0.0004322900000000, 0.0007468800000000 ] - [ -0.0000005900000000, 0.0010138700000000, 0.0004208700000000 ] - [ -0.0000144000000000, -0.0000269300000000, -0.0002636600000000 ] - [ 0.0002677800000000, 0.0009642500000000, 0.0003619100000000 ] - [ -0.0002921900000000, 0.0000910000000000, 0.0012661600000000 ] - [ -0.0007213600000000, -0.0027669300000000, -0.0004123400000000 ] - [ -0.0000927600000000, 0.0003781900000000, 0.0009723000000000 ] - [ 0.0002098600000000, 0.0006362700000000, -0.0004818600000000 ] - [ -0.0038379500000000, 0.0004260300000000, -0.0014084800000000 ] - [ 0.0000481800000000, -0.0022219400000000, -0.0007746000000000 ] - [ -0.0002394200000000, 0.0002206900000000, 0.0003542700000000 ] - [ 0.0001820600000000, -0.0001836300000000, 0.0003518300000000 ] - [ 0.0016143600000000, 0.0020938200000000, -0.0018310900000000 ] - [ -0.0002309400000000, -0.0074059800000000, 0.0021658300000000 ] - [ 0.0033353800000000, -0.0052795700000000, 0.0003187600000000 ] - [ 0.0004177200000000, 0.0016337500000000, 0.0009321200000000 ] - [ -0.0010405400000000, -0.0002478800000000, -0.0013398700000000 ] - [ -0.0002149100000000, 0.0000856900000000, -0.0006425300000000 ] - [ 0.0003253400000000, 0.0001862300000000, -0.0006321800000000 ] - [ -0.0072837000000000, 0.0024375500000000, -0.0013072100000000 ] - [ -0.0000348000000000, 0.0001756500000000, -0.0002446500000000 ] - [ 0.0017391900000000, -0.0011285400000000, -0.0037128200000000 ] - [ 0.0000144900000000, -0.0001525500000000, -0.0001662000000000 ] - [ 0.0053180200000000, 0.0062315800000000, 0.0014966700000000 ] - [ -0.0001191300000000, -0.0005146700000000, -0.0001800500000000 ] - [ -0.0012375200000000, 0.0007490100000000, 0.0024853200000000 ] - [ 0.0045892800000000, -0.0000476700000000, 0.0050541100000000 ] - [ -0.0027736000000000, 0.0024419600000000, -0.0022167100000000 ] - [ 0.0000507600000000, -0.0003905700000000, -0.0004829500000000 ] - [ -0.0000499900000000, 0.0000033800000000, -0.0001580100000000 ] - [ 0.0053364800000000, 0.0361817500000000, -0.0010213100000000 ] - [ -0.0007210300000000, 0.0000789900000000, 0.0000677400000000 ] - [ 0.0023797500000000, -0.0071500200000000, -0.0037554300000000 ] - [ 0.0006015400000000, 0.0002913500000000, -0.0007290400000000 ] - [ 0.0005686400000000, -0.0003585900000000, 0.0007108200000000 ] - [ -0.0040013200000000, -0.0019438100000000, -0.0011423300000000 ] - [ -0.0001498000000000, -0.0000782000000000, -0.0007774200000000 ] - [ -0.0001573900000000, 0.0016174000000000, -0.0000921200000000 ] - [ 0.0046081400000000, -0.0068076100000000, -0.0225428600000000 ] - [ -0.0005092600000000, -0.0000716500000000, 0.0011727200000000 ] - [ -0.0002366700000000, 0.0003464200000000, -0.0006881000000000 ] - [ -0.0001176800000000, -0.0001906300000000, -0.0004239100000000 ] - [ 0.0118392400000000, -0.4296350700000000, 0.0040960800000000 ] - [ 0.0001536100000000, 0.0007280200000000, 0.0003927600000000 ] - [ 0.0000857600000000, 0.0038330000000000, -0.0050867800000000 ] - [ 0.0000443700000000, -0.0001076900000000, -0.0008811400000000 ] - [ 0.0002028000000000, -0.0004000000000000, -0.0002488600000000 ] - [ -0.0009099900000000, -0.0036388300000000, -0.0000900800000000 ] - [ -0.0003129100000000, 0.0007170300000000, -0.0028711800000000 ] - [ 0.0038779700000000, 0.0122022100000000, 0.0027338200000000 ] - [ -0.0024626700000000, 0.0114776500000000, 0.0058830300000000 ] - [ 0.0036463300000000, -0.0038780700000000, 0.0033024400000000 ] - [ -0.0002192800000000, -0.0002382900000000, 0.0004208300000000 ] - [ 0.0001771100000000, -0.0003417700000000, -0.0009219000000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011552500000000, 0.0033438600000000, 0.0018520900000000 ] - [ 0.0057889900000000, -0.0034172100000000, -0.0022468100000000 ] - [ 0.0003333000000000, 0.0003197700000000, 0.0004410000000000 ] - [ -0.0006635700000000, 0.0003803100000000, -0.0003084600000000 ] - [ -0.0011013300000000, 0.0092040700000000, 0.0047860600000000 ] - [ 0.0007822300000000, -0.0002884100000000, 0.0010432600000000 ] - [ 0.0002842100000000, -0.0004395200000000, 0.0012525600000000 ] - [ 0.0002326500000000, -0.0000926600000000, -0.0009462200000000 ] - [ -0.0011684300000000, 0.0076820600000000, -0.0043543200000000 ] - [ -0.0003064300000000, -0.0000746200000000, -0.0000385200000000 ] - [ 0.0063201600000000, -0.0423584600000000, -0.0328659600000000 ] - [ 0.0003540600000000, 0.0001344300000000, -0.0005471000000000 ] - [ 0.0003839900000000, 0.0003810300000000, -0.0001461700000000 ] - [ -0.0028201900000000, -0.0369091200000000, -0.0038420300000000 ] - [ -0.0002515400000000, -0.0000787500000000, 0.0001813200000000 ] - [ -0.0003899300000000, 0.0002843800000000, -0.0014520700000000 ] - [ 0.0829502000000000, -0.1864284700000000, -0.0281074900000000 ] - [ -0.0002704200000000, 0.0001432100000000, -0.0002579300000000 ] - [ -0.0006953800000000, -0.0009382100000000, -0.0032714200000000 ] - [ 0.0004584500000000, 0.0004654900000000, -0.0000145700000000 ] - [ -0.0000688300000000, -0.0007567100000000, -0.0001754600000000 ] - [ -0.0827308400000000, -0.1388062600000000, 0.0596178400000000 ] - [ 0.0003934000000000, 0.0009151100000000, -0.0010434800000000 ] - [ 0.0003757800000000, -0.0002790200000000, -0.0001717300000000 ] - [ 0.0079042100000000, 0.0069704700000000, -0.0001519500000000 ] - [ 0.0004462300000000, -0.0001418800000000, -0.0002406500000000 ] - [ -0.0003790400000000, -0.0024933400000000, -0.0016209800000000 ] - [ -0.0007541600000000, 0.0005397700000000, -0.0005248900000000 ] - [ -0.0023568400000000, -0.0033399900000000, -0.0037953300000000 ] - [ 0.0010606800000000, 0.0014284400000000, 0.0013163500000000 ] - [ 0.0003204800000000, 0.0004493500000000, -0.0004419100000000 ] - [ -0.0007709700000000, -0.0001351600000000, -0.0007257100000000 ] - [ 0.0002326800000000, -0.0000145500000000, -0.0007362100000000 ] - [ -0.0004836100000000, -0.0010052100000000, 0.0006141000000000 ] - [ 0.0000683800000000, -0.0000584700000000, -0.0002753300000000 ] - [ 0.0009239500000000, 0.0027980100000000, -0.0005678200000000 ] - [ -0.0002228000000000, 0.0008547600000000, 0.0004144700000000 ] - [ 0.0000998200000000, 0.0005819000000000, -0.0008852700000000 ] - [ 0.0041545800000000, -0.0016632700000000, 0.0000378100000000 ] - [ -0.0003393100000000, 0.0010069200000000, 0.0021380100000000 ] - [ -0.0001808600000000, 0.0000971300000000, -0.0006612700000000 ] - [ 0.0002373400000000, 0.0004939100000000, -0.0000427600000000 ] - [ -0.0012007900000000, -0.0023949000000000, 0.0021383400000000 ] - [ -0.0001726500000000, 0.0070684500000000, -0.0024631000000000 ] - [ -0.0035960800000000, 0.0063457600000000, -0.0003138900000000 ] - [ -0.0002487800000000, -0.0005585300000000, -0.0009522000000000 ] - [ 0.0012316300000000, -0.0008259900000000, 0.0013282100000000 ] - [ -0.0004168400000000, 0.0002016900000000, 0.0003051500000000 ] - [ -0.0003144000000000, -0.0002538600000000, 0.0006503500000000 ] - [ 0.0072484300000000, -0.0025088100000000, 0.0012986000000000 ] - [ 0.0000245400000000, -0.0001049600000000, 0.0002191500000000 ] - [ -0.0017145000000000, 0.0011693600000000, 0.0037208400000000 ] - [ 0.0001233300000000, 0.0009275600000000, 0.0000205700000000 ] - [ -0.0055040300000000, -0.0054544600000000, -0.0013344000000000 ] - [ -0.0000180700000000, -0.0002671000000000, 0.0003194200000000 ] - [ 0.0013928500000000, -0.0015133700000000, -0.0026576100000000 ] - [ -0.0047949600000000, 0.0004217500000000, -0.0049913200000000 ] - [ 0.0030166400000000, -0.0020452800000000, 0.0022271800000000 ] - [ 0.0001777200000000, -0.0000047100000000, 0.0004603100000000 ] - [ -0.0001785500000000, -0.0003887300000000, 0.0001746400000000 ] - [ -0.0042475600000000, -0.0361660600000000, 0.0003288800000000 ] - [ -0.0004232100000000, -0.0003277000000000, 0.0006445300000000 ] - [ -0.0035181400000000, 0.0073370600000000, 0.0045391300000000 ] - [ 0.0005444200000000, -0.0000333800000000, 0.0000076200000000 ] - [ -0.0000295900000000, 0.0000295500000000, -0.0001894500000000 ] - [ 0.0034517800000000, 0.0017213800000000, 0.0006308200000000 ] - [ -0.0003882100000000, 0.0004003000000000, 0.0002555000000000 ] - [ 0.0006969100000000, -0.0012853600000000, 0.0005922200000000 ] - [ -0.0042006300000000, 0.0067133700000000, 0.0224703700000000 ] - [ 0.0000925900000000, -0.0000779100000000, -0.0011024300000000 ] - [ -0.0001955000000000, -0.0002142700000000, 0.0007336800000000 ] - [ 0.0005513300000000, 0.0003147900000000, 0.0003588200000000 ] - [ -0.0004070400000000, 0.4235919300000000, -0.0104285100000000 ] - [ 0.0001138300000000, -0.0004917200000000, 0.0000158400000000 ] - [ 0.0001649200000000, -0.0040572300000000, 0.0054260300000000 ] - [ -0.0002983700000000, -0.0001254800000000, 0.0004697700000000 ] - [ 0.0002352900000000, -0.0004146300000000, 0.0011708200000000 ] - [ 0.0004646000000000, 0.0028499700000000, -0.0008385300000000 ] - [ -0.0001214500000000, 0.0000881100000000, 0.0019256600000000 ] - [ -0.0033553200000000, -0.0113989400000000, -0.0017377600000000 ] - [ 0.0025942000000000, -0.0104094000000000, -0.0062459700000000 ] - [ -0.0038207500000000, 0.0049186700000000, -0.0029063900000000 ] - [ 0.0000279900000000, -0.0008099200000000, -0.0000150800000000 ] - [ 0.0000163500000000, -0.0007221200000000, 0.0005091100000000 ]- atom: 73 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ 0.0017187500000000, 0.0011413100000000, 0.0001943700000000 ] - [ 0.0072737300000000, -0.0013929900000000, -0.0015335900000000 ] - [ 0.0018717200000000, 0.0004982300000000, -0.0044062100000000 ] - [ -0.0003905600000000, 0.0003611000000000, -0.0014250900000000 ] - [ -0.0008866900000000, 0.0009159800000000, -0.0009286900000000 ] - [ 0.0019093100000000, 0.0002942700000000, 0.0012579900000000 ] - [ 0.0001140400000000, -0.0005464400000000, -0.0075522700000000 ] - [ 0.0009313700000000, 0.0002706000000000, -0.0026339100000000 ] - [ 0.0006743100000000, -0.0024643600000000, 0.0096927400000000 ] - [ -0.0005168400000000, -0.0001645600000000, -0.0027444900000000 ] - [ -0.0379273200000000, 0.0358161400000000, 0.2018213000000000 ] - [ -0.0000018200000000, 0.0000231700000000, -0.0030928900000000 ] - [ -0.0006827800000000, 0.0001484300000000, -0.0014386000000000 ] - [ -0.0375105900000000, 0.0022957200000000, 0.0264343100000000 ] - [ -0.0007115900000000, -0.0000624800000000, -0.0016362400000000 ] - [ -0.0014105700000000, 0.0010002200000000, 0.0011363600000000 ] - [ -0.0559289300000000, 0.0650515300000000, 0.0456627400000000 ] - [ -0.0003693300000000, -0.0001466800000000, -0.0012118100000000 ] - [ -0.0036890400000000, 0.0106242700000000, -0.0003711800000000 ] - [ 0.0004486400000000, 0.0001419200000000, -0.0013942300000000 ] - [ -0.0001225300000000, -0.0008251100000000, -0.0019337200000000 ] - [ -0.0928269000000000, -0.0987555400000000, 0.0920131200000000 ] - [ -0.0015317600000000, -0.0006878000000000, -0.0005392300000000 ] - [ 0.0011513000000000, -0.0006170800000000, -0.0024253300000000 ] - [ -0.0031906300000000, 0.0002120000000000, 0.0036928300000000 ] - [ -0.0008134600000000, 0.0006861200000000, -0.0026021800000000 ] - [ -0.0051589600000000, 0.0014159900000000, 0.0018757700000000 ] - [ -0.0007208600000000, 0.0006674200000000, -0.0019647400000000 ] - [ -0.0037038400000000, -0.0015046800000000, -0.0099396300000000 ] - [ 0.0016436600000000, -0.0012747700000000, 0.0043617700000000 ] - [ -0.0002444100000000, 0.0002082700000000, -0.0029696700000000 ] - [ -0.0003628200000000, -0.0000022200000000, -0.0013491100000000 ] - [ 0.0010145900000000, -0.0002908200000000, -0.0032796100000000 ] - [ 0.0031127600000000, -0.0012040700000000, 0.0020482200000000 ] - [ 0.0013801700000000, -0.0002339300000000, -0.0038760600000000 ] - [ 0.0006738300000000, -0.0010461500000000, 0.0021330900000000 ] - [ 0.0004079100000000, -0.0000094100000000, -0.0000024600000000 ] - [ -0.0001966500000000, 0.0019863600000000, -0.0051218700000000 ] - [ 0.0044243000000000, 0.0002243900000000, 0.0023671800000000 ] - [ -0.0003175500000000, 0.0002704000000000, -0.0015526600000000 ] - [ 0.0004465900000000, 0.0012244400000000, -0.0015594700000000 ] - [ 0.0005009300000000, -0.0014136500000000, -0.0024336800000000 ] - [ 0.0025173600000000, -0.0012007400000000, 0.0012828000000000 ] - [ 0.0007073800000000, 0.0038638700000000, -0.0031707400000000 ] - [ 0.0023362300000000, -0.0031907500000000, 0.0041376100000000 ] - [ -0.0006587300000000, -0.0011346500000000, -0.0032914100000000 ] - [ 0.0000906100000000, -0.0030180900000000, 0.0019117400000000 ] - [ 0.0002470100000000, -0.0001962200000000, -0.0010741000000000 ] - [ -0.0007467000000000, -0.0002625300000000, 0.0020618700000000 ] - [ -0.0031521300000000, 0.0015593500000000, -0.0038845300000000 ] - [ -0.0001913000000000, -0.0000193900000000, 0.0019006500000000 ] - [ -0.0059166400000000, -0.0066437200000000, 0.0045170500000000 ] - [ -0.0005501400000000, 0.0007049100000000, 0.0016818500000000 ] - [ -0.0042363500000000, -0.0029359900000000, -0.0048884400000000 ] - [ -0.0001246600000000, -0.0005167300000000, 0.0019246500000000 ] - [ -0.0048932300000000, 0.0052063100000000, 0.0044094100000000 ] - [ 0.0040282400000000, 0.0010141400000000, 0.0000118200000000 ] - [ 0.0037688100000000, -0.0008856100000000, 0.0003185400000000 ] - [ 0.0006006900000000, -0.0008221300000000, 0.0013608000000000 ] - [ 0.0005616700000000, 0.0004139600000000, 0.0013797600000000 ] - [ 0.0069552700000000, 0.0067701700000000, -0.0085899200000000 ] - [ 0.0006329900000000, 0.0000078200000000, 0.0021116500000000 ] - [ 0.0190832300000000, -0.0145285400000000, 0.0210709500000000 ] - [ 0.0008380600000000, 0.0001934500000000, 0.0022812400000000 ] - [ 0.0010585600000000, 0.0007714800000000, 0.0032675300000000 ] - [ -0.0138935300000000, 0.0017352400000000, -0.0096288800000000 ] - [ 0.0002424400000000, 0.0005772400000000, 0.0041247100000000 ] - [ 0.0005172500000000, 0.0010682700000000, -0.0016293800000000 ] - [ -0.0114532300000000, -0.0065217600000000, 0.0313092600000000 ] - [ -0.0032184200000000, 0.0005963600000000, -0.0002397300000000 ] - [ -0.0000252800000000, 0.0009505400000000, 0.0027528000000000 ] - [ -0.0013116300000000, -0.0008239600000000, 0.0027660700000000 ] - [ 0.2355270000000000, 0.0065473500000000, -0.4020774700000000 ] - [ 0.0005387200000000, -0.0000321600000000, 0.0031589100000000 ] - [ 0.0065927400000000, -0.0046614200000000, -0.0107355400000000 ] - [ -0.0004756200000000, 0.0005478100000000, 0.0044072400000000 ] - [ -0.0003587600000000, -0.0005017900000000, 0.0053476400000000 ] - [ -0.0003203100000000, 0.0039569600000000, 0.0007367600000000 ] - [ 0.0001105800000000, 0.0000995600000000, 0.0104524400000000 ] - [ -0.0017634700000000, 0.0037065800000000, -0.0057803300000000 ] - [ -0.0020642800000000, -0.0045902200000000, 0.0019006400000000 ] - [ -0.0086716600000000, 0.0010335900000000, -0.0026439300000000 ] - [ -0.0024713200000000, -0.0002864900000000, 0.0095594300000000 ] - [ -0.0009389500000000, -0.0013876600000000, 0.0027154000000000 ]- atom: 73 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ -0.0030289500000000, -0.0017987500000000, -0.0001572600000000 ] - [ -0.0059260300000000, 0.0007410400000000, 0.0015222600000000 ] - [ -0.0005486100000000, 0.0001559000000000, 0.0043891200000000 ] - [ -0.0009100500000000, 0.0002880700000000, 0.0014388800000000 ] - [ 0.0012083500000000, -0.0004973500000000, -0.0000796700000000 ] - [ -0.0022252600000000, 0.0001158500000000, -0.0001895100000000 ] - [ -0.0004492100000000, 0.0001311000000000, 0.0085584200000000 ] - [ -0.0006083000000000, -0.0006791800000000, 0.0015742400000000 ] - [ 0.0000675300000000, 0.0023364400000000, -0.0106708600000000 ] - [ -0.0002312100000000, 0.0000207300000000, 0.0036866300000000 ] - [ 0.0375269600000000, -0.0379506500000000, -0.2126279100000000 ] - [ 0.0007545900000000, 0.0001229300000000, 0.0021492900000000 ] - [ 0.0013827600000000, 0.0000298300000000, 0.0006159300000000 ] - [ 0.0359506900000000, -0.0020949400000000, -0.0257601000000000 ] - [ -0.0000028100000000, -0.0001301300000000, 0.0024762600000000 ] - [ 0.0021066300000000, -0.0011798000000000, -0.0019675600000000 ] - [ 0.0564742700000000, -0.0644165600000000, -0.0457117000000000 ] - [ -0.0005189600000000, -0.0004941300000000, 0.0007869800000000 ] - [ 0.0028254100000000, -0.0100123100000000, -0.0000616100000000 ] - [ 0.0004461900000000, 0.0004945500000000, 0.0018152900000000 ] - [ -0.0000440600000000, -0.0002200800000000, 0.0019528900000000 ] - [ 0.0901193200000000, 0.0939861800000000, -0.0896835500000000 ] - [ 0.0009072600000000, 0.0003790600000000, 0.0001720400000000 ] - [ -0.0005212600000000, 0.0003103600000000, 0.0027772800000000 ] - [ 0.0016501100000000, -0.0010516300000000, -0.0041934300000000 ] - [ 0.0023574300000000, -0.0015261100000000, 0.0030799800000000 ] - [ 0.0066950100000000, -0.0005667100000000, -0.0013914200000000 ] - [ -0.0008341500000000, 0.0001713600000000, 0.0014792400000000 ] - [ 0.0028905200000000, 0.0006219900000000, 0.0095469900000000 ] - [ -0.0008406200000000, 0.0003871700000000, -0.0040504400000000 ] - [ 0.0010400400000000, 0.0006774100000000, 0.0032717800000000 ] - [ -0.0004454600000000, 0.0008908700000000, 0.0010313200000000 ] - [ -0.0008103700000000, 0.0002384800000000, 0.0022759200000000 ] - [ -0.0033805800000000, 0.0011776500000000, -0.0010609100000000 ] - [ -0.0015869700000000, 0.0002684400000000, 0.0048366100000000 ] - [ -0.0004639400000000, 0.0010997200000000, -0.0031395500000000 ] - [ -0.0007075200000000, 0.0012204100000000, 0.0013562200000000 ] - [ 0.0005268000000000, -0.0007574600000000, 0.0037619400000000 ] - [ -0.0040704800000000, -0.0014470900000000, -0.0037027900000000 ] - [ 0.0000178100000000, -0.0014824200000000, 0.0029113900000000 ] - [ -0.0008918800000000, -0.0009148500000000, 0.0012233200000000 ] - [ -0.0000534000000000, 0.0017204100000000, 0.0027562600000000 ] - [ -0.0020550500000000, 0.0008829800000000, -0.0009432800000000 ] - [ -0.0011542500000000, -0.0041393600000000, 0.0028606400000000 ] - [ -0.0025100700000000, 0.0042495100000000, -0.0041447000000000 ] - [ 0.0008147900000000, 0.0021951200000000, 0.0032501300000000 ] - [ 0.0000510400000000, 0.0019486400000000, -0.0019463600000000 ] - [ -0.0008826200000000, 0.0005106700000000, 0.0007246000000000 ] - [ 0.0007533100000000, 0.0001879500000000, -0.0020425300000000 ] - [ 0.0031426400000000, -0.0016216800000000, 0.0038520600000000 ] - [ 0.0001818100000000, 0.0000877000000000, -0.0019125000000000 ] - [ 0.0059711200000000, 0.0067787500000000, -0.0045602500000000 ] - [ 0.0006875700000000, 0.0000774000000000, -0.0018216800000000 ] - [ 0.0041032800000000, 0.0037069200000000, 0.0050271300000000 ] - [ -0.0000131600000000, -0.0002630000000000, -0.0017758200000000 ] - [ 0.0050420100000000, -0.0060231100000000, -0.0046019600000000 ] - [ -0.0042432700000000, -0.0006136800000000, -0.0000189400000000 ] - [ -0.0035360600000000, 0.0012729800000000, -0.0003588800000000 ] - [ -0.0003706000000000, 0.0004327200000000, -0.0013769100000000 ] - [ -0.0007870800000000, -0.0008005000000000, -0.0013575000000000 ] - [ -0.0058230800000000, -0.0070694100000000, 0.0078712300000000 ] - [ -0.0017647400000000, -0.0002662900000000, -0.0014027700000000 ] - [ -0.0203025200000000, 0.0147851600000000, -0.0204509100000000 ] - [ 0.0002987800000000, 0.0000625800000000, -0.0029926300000000 ] - [ -0.0005232500000000, -0.0010870500000000, -0.0027523800000000 ] - [ 0.0133806600000000, -0.0020931500000000, 0.0091851900000000 ] - [ -0.0007762000000000, -0.0002540800000000, -0.0046275800000000 ] - [ 0.0000241300000000, -0.0007476400000000, 0.0021526600000000 ] - [ 0.0117583000000000, 0.0062486300000000, -0.0310655600000000 ] - [ 0.0027957800000000, -0.0007133800000000, 0.0002915300000000 ] - [ -0.0003987700000000, -0.0008263100000000, -0.0026871200000000 ] - [ 0.0017346600000000, 0.0009441800000000, -0.0028255400000000 ] - [ -0.2315189100000000, -0.0000860300000000, 0.4121419200000000 ] - [ -0.0002668100000000, 0.0002720400000000, -0.0027623900000000 ] - [ -0.0063313100000000, 0.0044407200000000, 0.0111697700000000 ] - [ 0.0002086900000000, -0.0007916000000000, -0.0048046700000000 ] - [ 0.0007978700000000, -0.0003188500000000, -0.0044011200000000 ] - [ -0.0000726200000000, -0.0047847800000000, -0.0016823500000000 ] - [ -0.0005487200000000, 0.0007161400000000, -0.0113077700000000 ] - [ 0.0022083200000000, -0.0029037800000000, 0.0067163100000000 ] - [ 0.0022564900000000, 0.0056455300000000, -0.0023713800000000 ] - [ 0.0084276900000000, 0.0000255300000000, 0.0030046800000000 ] - [ 0.0022784400000000, -0.0007698000000000, -0.0091339000000000 ] - [ 0.0011141300000000, 0.0003358600000000, -0.0031167100000000 ]- atom: 77 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ 0.0006127600000000, -0.0007341800000000, 0.0010265700000000 ] - [ 0.0009820900000000, -0.0003462000000000, -0.0007660100000000 ] - [ -0.0007548400000000, -0.0006777800000000, -0.0003434700000000 ] - [ -0.0069498500000000, 0.0006271900000000, -0.0034910500000000 ] - [ -0.0000447100000000, -0.0000554600000000, 0.0003043600000000 ] - [ -0.0006771300000000, 0.0003953500000000, 0.0001681500000000 ] - [ 0.0010639500000000, -0.0008250300000000, -0.0002706200000000 ] - [ -0.0074458500000000, -0.0015261300000000, 0.0071732400000000 ] - [ 0.0005133300000000, -0.0000662600000000, -0.0002412700000000 ] - [ -0.0024125100000000, 0.0003919800000000, -0.0014848000000000 ] - [ -0.0004412700000000, 0.0000973800000000, 0.0007508100000000 ] - [ -0.0087477800000000, -0.0008222100000000, -0.0045716500000000 ] - [ -0.0088619200000000, -0.0007139700000000, 0.0016758400000000 ] - [ -0.0006137700000000, 0.0001457900000000, 0.0006108300000000 ] - [ -0.0023718400000000, 0.0004995800000000, 0.0017732800000000 ] - [ 0.0015383400000000, -0.0001428600000000, -0.0008801800000000 ] - [ 0.0004231100000000, -0.0001729700000000, 0.0004620200000000 ] - [ -0.0043733700000000, -0.0011795800000000, -0.0025522800000000 ] - [ -0.0003997200000000, 0.0003890300000000, -0.0002929400000000 ] - [ -0.0039198700000000, 0.0027932300000000, 0.0001425300000000 ] - [ 0.0680385000000000, 0.0667585300000000, 0.0258361900000000 ] - [ 0.0003135600000000, 0.0000278200000000, 0.0005453400000000 ] - [ -0.0000628600000000, 0.0002914100000000, -0.0002094200000000 ] - [ -0.0023812700000000, 0.0008087400000000, 0.0011349100000000 ] - [ -0.0010071300000000, -0.0004327300000000, 0.0000174500000000 ] - [ -0.0003626300000000, -0.0001515000000000, 0.0008289100000000 ] - [ 0.0012651600000000, 0.0006084100000000, 0.0005712900000000 ] - [ 0.1184207700000000, -0.0929588900000000, 0.0353500000000000 ] - [ 0.0013027700000000, 0.0007479600000000, 0.0005299700000000 ] - [ 0.0002002600000000, -0.0004208200000000, 0.0004347100000000 ] - [ 0.0400004400000000, 0.0027550000000000, 0.0222459000000000 ] - [ -0.0003139300000000, 0.0005144700000000, 0.0012671900000000 ] - [ 0.1981575300000000, 0.0374712500000000, -0.0733384700000000 ] - [ -0.0003464100000000, -0.0000427600000000, 0.0010829400000000 ] - [ 0.0063549800000000, -0.0022134700000000, -0.0040233300000000 ] - [ 0.0000354900000000, -0.0000158300000000, -0.0000789900000000 ] - [ -0.0021314000000000, 0.0011781100000000, 0.0021389600000000 ] - [ 0.0033075700000000, 0.0012255500000000, 0.0000931500000000 ] - [ 0.0001197700000000, -0.0006636300000000, -0.0006819100000000 ] - [ 0.0045720100000000, -0.0001689400000000, 0.0061437100000000 ] - [ -0.0024131500000000, -0.0006634000000000, 0.0009860100000000 ] - [ 0.0009322500000000, -0.0031953800000000, -0.0026896100000000 ] - [ 0.0002540200000000, -0.0000029600000000, 0.0000129500000000 ] - [ 0.0011533100000000, -0.0014380800000000, 0.0001900200000000 ] - [ -0.0001901100000000, 0.0004019000000000, 0.0002819000000000 ] - [ -0.0001988000000000, 0.0101716000000000, 0.0032487500000000 ] - [ 0.0002904000000000, -0.0007585600000000, 0.0004313100000000 ] - [ -0.0028380800000000, 0.0005991100000000, -0.0020906300000000 ] - [ -0.0018929000000000, -0.0027732600000000, 0.0050587900000000 ] - [ -0.0001412900000000, -0.0001643700000000, -0.0001999400000000 ] - [ 0.0084969100000000, 0.0060653000000000, 0.0016573800000000 ] - [ 0.0003161400000000, 0.0000757000000000, -0.0002087500000000 ] - [ 0.0000379700000000, 0.0021699300000000, 0.0040186300000000 ] - [ -0.0002174300000000, 0.0005311900000000, -0.0001758500000000 ] - [ 0.0089332200000000, -0.0056840200000000, 0.0019328200000000 ] - [ 0.0004040600000000, -0.0004691500000000, -0.0001202500000000 ] - [ 0.0003644200000000, -0.0001158000000000, -0.0006326700000000 ] - [ 0.0005129400000000, 0.0005557200000000, -0.0005650800000000 ] - [ -0.0014698500000000, 0.0003596900000000, -0.0044831800000000 ] - [ -0.0017284800000000, -0.0010275900000000, -0.0037512900000000 ] - [ 0.0007010200000000, -0.0003067800000000, -0.0010268500000000 ] - [ 0.0031486900000000, -0.0003481900000000, 0.0017894800000000 ] - [ -0.0008901500000000, 0.0000906200000000, 0.0004381700000000 ] - [ 0.0345723300000000, -0.0064817600000000, -0.0040855300000000 ] - [ 0.0087446400000000, -0.0127753000000000, -0.0286227100000000 ] - [ -0.0000223500000000, -0.0000959700000000, -0.0006090600000000 ] - [ -0.0098237100000000, 0.0065233300000000, -0.0026156200000000 ] - [ -0.0004062000000000, 0.0003922500000000, -0.0006781100000000 ] - [ -0.0007461200000000, 0.0002554300000000, -0.0000639200000000 ] - [ -0.0007552500000000, -0.0003347200000000, 0.0008881200000000 ] - [ 0.0030132400000000, 0.0016619000000000, 0.0129336700000000 ] - [ 0.0016458600000000, 0.0004911800000000, -0.0015914600000000 ] - [ 0.0001761400000000, 0.0001091800000000, -0.0006800800000000 ] - [ 0.0118974900000000, 0.0008262500000000, 0.0066938000000000 ] - [ -0.0001043300000000, -0.0002203400000000, 0.0004274300000000 ] - [ 0.0055780600000000, -0.0037459500000000, 0.0007286600000000 ] - [ -0.4617848400000000, -0.0055112200000000, -0.0001921000000000 ] - [ -0.0006312300000000, -0.0005612000000000, -0.0021359400000000 ] - [ -0.0096261700000000, -0.0051008900000000, -0.0005577600000000 ] - [ 0.0004197100000000, 0.0005718100000000, -0.0001606100000000 ] - [ -0.0007753300000000, 0.0037348000000000, -0.0034535100000000 ] - [ 0.0001660200000000, 0.0003793400000000, 0.0007118300000000 ] - [ 0.0001876400000000, 0.0027301200000000, 0.0026761500000000 ] - [ 0.0121070100000000, -0.0003170400000000, -0.0027972100000000 ]- atom: 77 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ -0.0019251500000000, 0.0000826000000000, -0.0010173300000000 ] - [ 0.0003146100000000, -0.0003042300000000, 0.0007436100000000 ] - [ 0.0020775200000000, 0.0013292600000000, 0.0003408600000000 ] - [ 0.0056332200000000, 0.0000211400000000, 0.0034637900000000 ] - [ 0.0003750100000000, 0.0004610700000000, -0.0013705200000000 ] - [ 0.0003493300000000, 0.0000151800000000, 0.0008799300000000 ] - [ -0.0013853100000000, 0.0004130800000000, 0.0013301800000000 ] - [ 0.0078319600000000, 0.0011150600000000, -0.0082763100000000 ] - [ 0.0002391200000000, -0.0000818000000000, -0.0007070500000000 ] - [ 0.0016486100000000, -0.0005310500000000, 0.0024465400000000 ] - [ -0.0003144500000000, 0.0000499100000000, 0.0001923200000000 ] - [ 0.0095168700000000, 0.0009500400000000, 0.0036814400000000 ] - [ 0.0096223300000000, 0.0009054400000000, -0.0025260400000000 ] - [ -0.0000859700000000, 0.0000287200000000, 0.0002098000000000 ] - [ 0.0016157500000000, -0.0006999500000000, -0.0009153400000000 ] - [ -0.0008525800000000, -0.0000347500000000, 0.0000587300000000 ] - [ 0.0004723800000000, -0.0004660500000000, -0.0000394300000000 ] - [ 0.0034803800000000, 0.0005223400000000, 0.0021362600000000 ] - [ -0.0004908400000000, 0.0002444000000000, -0.0001289900000000 ] - [ 0.0047855600000000, -0.0021744900000000, 0.0002945500000000 ] - [ -0.0679618000000000, -0.0691535400000000, -0.0263377100000000 ] - [ 0.0003240200000000, 0.0002880100000000, -0.0002017300000000 ] - [ -0.0005599800000000, -0.0006055300000000, -0.0001378900000000 ] - [ 0.0030100100000000, -0.0011157100000000, -0.0007788200000000 ] - [ -0.0005471900000000, -0.0004033200000000, -0.0005029500000000 ] - [ 0.0019265900000000, -0.0006976500000000, -0.0003366000000000 ] - [ 0.0002914200000000, 0.0002237000000000, -0.0000922400000000 ] - [ -0.1230790300000000, 0.0987171200000000, -0.0378364600000000 ] - [ -0.0020939300000000, -0.0016314600000000, -0.0008414800000000 ] - [ 0.0005978900000000, -0.0004672400000000, -0.0001301700000000 ] - [ -0.0394999000000000, -0.0018814300000000, -0.0227238300000000 ] - [ -0.0004908100000000, 0.0003740700000000, -0.0015775700000000 ] - [ -0.1880177100000000, -0.0352340500000000, 0.0667456900000000 ] - [ 0.0001426300000000, -0.0000101300000000, -0.0000834000000000 ] - [ -0.0065492100000000, 0.0022369000000000, 0.0049877400000000 ] - [ 0.0001673700000000, 0.0000670000000000, -0.0009296100000000 ] - [ 0.0018298700000000, 0.0000186100000000, -0.0008173000000000 ] - [ -0.0029614300000000, 0.0000032600000000, -0.0014447900000000 ] - [ 0.0001805100000000, -0.0005506600000000, -0.0006775700000000 ] - [ -0.0048900800000000, -0.0010549600000000, -0.0048045800000000 ] - [ 0.0019708100000000, 0.0009940500000000, -0.0013337600000000 ] - [ -0.0004635900000000, 0.0034985900000000, 0.0030098800000000 ] - [ 0.0001895000000000, -0.0003111300000000, 0.0003207600000000 ] - [ -0.0015966700000000, 0.0011229800000000, -0.0005334900000000 ] - [ 0.0000405900000000, 0.0006626300000000, -0.0002516200000000 ] - [ 0.0003893000000000, -0.0090854700000000, -0.0032439700000000 ] - [ -0.0001384700000000, -0.0003096200000000, -0.0004671000000000 ] - [ 0.0022058500000000, -0.0002887700000000, 0.0017585700000000 ] - [ 0.0019130100000000, 0.0027051500000000, -0.0050421900000000 ] - [ 0.0001324900000000, 0.0000966200000000, 0.0001854600000000 ] - [ -0.0084681800000000, -0.0059468500000000, -0.0016964100000000 ] - [ -0.0003097900000000, -0.0000109900000000, 0.0002296700000000 ] - [ 0.0001186300000000, -0.0014038000000000, -0.0041791300000000 ] - [ 0.0000771900000000, 0.0002450800000000, 0.0003232400000000 ] - [ -0.0090103600000000, 0.0048481400000000, -0.0017937100000000 ] - [ -0.0002705600000000, -0.0003083400000000, -0.0000215300000000 ] - [ -0.0005940900000000, 0.0005026300000000, 0.0006520100000000 ] - [ -0.0002877200000000, -0.0001693100000000, 0.0005487000000000 ] - [ 0.0017293200000000, -0.0007624000000000, 0.0044664500000000 ] - [ 0.0015199900000000, 0.0006363500000000, 0.0037608000000000 ] - [ 0.0004416100000000, 0.0000504600000000, 0.0003094300000000 ] - [ -0.0042903300000000, 0.0000923100000000, -0.0010775100000000 ] - [ -0.0002519500000000, 0.0001653700000000, 0.0002831700000000 ] - [ -0.0337174500000000, 0.0069015900000000, 0.0033907800000000 ] - [ -0.0081742000000000, 0.0124574400000000, 0.0290273600000000 ] - [ -0.0005119800000000, -0.0002248600000000, 0.0000995200000000 ] - [ 0.0092687700000000, -0.0061600400000000, 0.0020867000000000 ] - [ 0.0009600500000000, -0.0000722000000000, 0.0012097500000000 ] - [ 0.0011708200000000, -0.0003820600000000, 0.0000144000000000 ] - [ 0.0003387800000000, 0.0002111800000000, -0.0008319200000000 ] - [ -0.0035040100000000, -0.0014968800000000, -0.0128053700000000 ] - [ -0.0012252100000000, -0.0003838800000000, 0.0015333300000000 ] - [ -0.0004532800000000, 0.0001321600000000, 0.0002956000000000 ] - [ -0.0116469800000000, -0.0005598900000000, -0.0063719600000000 ] - [ 0.0003827900000000, -0.0000281100000000, -0.0000480000000000 ] - [ -0.0057800700000000, 0.0034888000000000, -0.0011515700000000 ] - [ 0.4554984800000000, -0.0012055600000000, 0.0101709300000000 ] - [ 0.0001837800000000, -0.0002586700000000, 0.0012023100000000 ] - [ 0.0091411400000000, 0.0058865600000000, -0.0003801100000000 ] - [ 0.0000217200000000, 0.0002441500000000, 0.0011110700000000 ] - [ 0.0009503500000000, -0.0026778700000000, 0.0030632700000000 ] - [ -0.0003400600000000, 0.0006730300000000, -0.0002998300000000 ] - [ -0.0003723700000000, -0.0037759800000000, -0.0022695700000000 ] - [ -0.0119653000000000, -0.0007615600000000, 0.0024698400000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008264800000000, 0.0000461300000000, -0.0000491000000000 ] - [ 0.0003190400000000, -0.0009450400000000, -0.0005038100000000 ] - [ 0.0012481300000000, -0.0016101600000000, 0.0013555900000000 ] - [ 0.0003589800000000, 0.0008440700000000, -0.0004300000000000 ] - [ 0.0003775100000000, 0.0007189900000000, -0.0007486300000000 ] - [ -0.0001932100000000, -0.0001411700000000, 0.0005155700000000 ] - [ -0.0002890300000000, -0.0020039900000000, 0.0016406400000000 ] - [ 0.0029204200000000, 0.0030045100000000, -0.0050889100000000 ] - [ 0.0002723100000000, -0.0000736600000000, -0.0004311700000000 ] - [ -0.0025985600000000, -0.0041285000000000, 0.0000821000000000 ] - [ -0.0003416900000000, 0.0000793900000000, 0.0007019100000000 ] - [ 0.0043090600000000, 0.0026969000000000, 0.0025380000000000 ] - [ 0.0004930800000000, 0.0005389800000000, 0.0013336500000000 ] - [ -0.0002667800000000, 0.0000755100000000, 0.0004026700000000 ] - [ -0.0049188400000000, -0.0098557700000000, 0.0015816400000000 ] - [ -0.0000001900000000, -0.0000739600000000, -0.0004631700000000 ] - [ 0.0004471400000000, -0.0002596800000000, 0.0002022400000000 ] - [ 0.0017871400000000, -0.0011994100000000, 0.0020017400000000 ] - [ -0.0005421400000000, 0.0005605300000000, -0.0002460300000000 ] - [ 0.0020083300000000, -0.0069476900000000, -0.0005924900000000 ] - [ 0.0690719600000000, 0.1917840400000000, 0.0554576600000000 ] - [ 0.0002470000000000, -0.0000081800000000, 0.0002252100000000 ] - [ 0.0001351300000000, -0.0000150500000000, 0.0007651600000000 ] - [ -0.0008585100000000, -0.0022571600000000, 0.0005744400000000 ] - [ -0.0006513200000000, -0.0003868400000000, -0.0002147800000000 ] - [ 0.0021346900000000, -0.0017254100000000, 0.0004304000000000 ] - [ 0.0006154300000000, 0.0004306200000000, 0.0003696100000000 ] - [ -0.0937986600000000, 0.1407771700000000, -0.0465765300000000 ] - [ 0.0001609100000000, -0.0006701300000000, -0.0012740500000000 ] - [ 0.0004053900000000, -0.0003934800000000, 0.0004241100000000 ] - [ 0.0030225700000000, 0.0376836500000000, -0.0023609800000000 ] - [ -0.0004544600000000, 0.0001470000000000, 0.0000975900000000 ] - [ 0.0329998400000000, 0.0428597100000000, -0.0124115500000000 ] - [ -0.0001233100000000, -0.0000037500000000, 0.0005670200000000 ] - [ 0.0029710200000000, -0.0074624200000000, -0.0036805900000000 ] - [ 0.0000737700000000, 0.0000186000000000, -0.0005073000000000 ] - [ 0.0001706600000000, 0.0002205300000000, -0.0002536500000000 ] - [ 0.0051309800000000, -0.0067695100000000, 0.0068541600000000 ] - [ 0.0000705000000000, -0.0007176100000000, -0.0007912800000000 ] - [ 0.0007283000000000, 0.0021575500000000, -0.0005201000000000 ] - [ 0.0003759600000000, 0.0018471500000000, -0.0009619400000000 ] - [ -0.0013625500000000, -0.0061178700000000, -0.0031703700000000 ] - [ 0.0001229100000000, 0.0000404400000000, 0.0001885100000000 ] - [ -0.0007019800000000, 0.0002137900000000, 0.0014200100000000 ] - [ -0.0000342700000000, 0.0004048800000000, 0.0000260000000000 ] - [ 0.0022126100000000, 0.0025868600000000, -0.0013929700000000 ] - [ 0.0000250500000000, -0.0007764000000000, 0.0000010600000000 ] - [ -0.0017767700000000, 0.0019903600000000, 0.0002876800000000 ] - [ -0.0011302000000000, 0.0061409800000000, -0.0055530400000000 ] - [ 0.0000429200000000, -0.0000881200000000, -0.0000316000000000 ] - [ 0.0029749500000000, 0.0019433300000000, -0.0001984700000000 ] - [ -0.0001354400000000, -0.0001359100000000, 0.0000096600000000 ] - [ 0.0030719700000000, 0.0026836000000000, 0.0070986500000000 ] - [ -0.0000325400000000, 0.0004294900000000, 0.0000297200000000 ] - [ -0.0029811800000000, -0.0024257200000000, 0.0008644100000000 ] - [ -0.0000936200000000, -0.0001607300000000, -0.0000695700000000 ] - [ -0.0002953900000000, -0.0000664000000000, 0.0001000600000000 ] - [ -0.0000472500000000, 0.0005053100000000, -0.0003266900000000 ] - [ 0.0019588700000000, -0.0006151800000000, -0.0064450100000000 ] - [ -0.0006548300000000, 0.0024389300000000, 0.0043984100000000 ] - [ 0.0004970800000000, -0.0001686800000000, -0.0003903300000000 ] - [ -0.0009231600000000, 0.0022402200000000, 0.0009185800000000 ] - [ -0.0005391700000000, -0.0001894100000000, -0.0002090000000000 ] - [ -0.0217738500000000, -0.0042531000000000, 0.0072395500000000 ] - [ -0.0043625800000000, -0.0073193600000000, -0.0007656300000000 ] - [ -0.0002982700000000, -0.0000534700000000, -0.0002699100000000 ] - [ -0.0051416600000000, 0.0370863400000000, -0.0028283600000000 ] - [ 0.0006683200000000, 0.0002253700000000, 0.0006806800000000 ] - [ 0.0005032600000000, 0.0009479700000000, 0.0002409900000000 ] - [ -0.0000155000000000, -0.0003788200000000, -0.0003049700000000 ] - [ 0.0004291700000000, -0.0012345500000000, 0.0053416300000000 ] - [ -0.0001611800000000, -0.0002331600000000, -0.0009972600000000 ] - [ -0.0000944300000000, 0.0001222500000000, -0.0002772100000000 ] - [ -0.0003567100000000, -0.0031265200000000, -0.0050852900000000 ] - [ 0.0006242400000000, 0.0001992400000000, 0.0001109800000000 ] - [ 0.0062117100000000, 0.0116827700000000, -0.0004171500000000 ] - [ 0.0036780400000000, -0.4357578000000000, 0.0008688000000000 ] - [ -0.0000730200000000, -0.0001885600000000, -0.0006466800000000 ] - [ -0.0056919200000000, 0.0032434300000000, 0.0024396200000000 ] - [ 0.0000598200000000, 0.0004287200000000, 0.0002665100000000 ] - [ 0.0004385600000000, -0.0020561900000000, -0.0005326100000000 ] - [ 0.0004161300000000, 0.0005556800000000, 0.0005048200000000 ] - [ 0.0001166900000000, 0.0113507500000000, -0.0047143800000000 ] - [ -0.0023668700000000, -0.0009571700000000, 0.0015751600000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004741300000000, -0.0006924100000000, 0.0000565700000000 ] - [ 0.0009747000000000, 0.0002943900000000, 0.0004783200000000 ] - [ 0.0000261700000000, 0.0022464800000000, -0.0013973700000000 ] - [ -0.0016341000000000, -0.0001908800000000, 0.0004705900000000 ] - [ -0.0000527400000000, -0.0003027600000000, -0.0003048000000000 ] - [ -0.0001276400000000, 0.0005564300000000, 0.0005280500000000 ] - [ -0.0000271400000000, 0.0015794700000000, -0.0006240400000000 ] - [ -0.0025893200000000, -0.0034246800000000, 0.0040538600000000 ] - [ 0.0004783000000000, -0.0000669000000000, -0.0005141000000000 ] - [ 0.0018484000000000, 0.0039790300000000, 0.0008863400000000 ] - [ -0.0004072200000000, 0.0000599200000000, 0.0002460400000000 ] - [ -0.0035806400000000, -0.0025658400000000, -0.0035018600000000 ] - [ 0.0002055400000000, -0.0003525600000000, -0.0021934100000000 ] - [ -0.0004390200000000, 0.0001144300000000, 0.0004396600000000 ] - [ 0.0042771100000000, 0.0096366300000000, -0.0007047600000000 ] - [ 0.0006979600000000, -0.0001256400000000, -0.0003863200000000 ] - [ 0.0004456800000000, -0.0003902700000000, 0.0002182400000000 ] - [ -0.0026941500000000, 0.0005590100000000, -0.0024367800000000 ] - [ -0.0003532900000000, 0.0000779700000000, -0.0001748200000000 ] - [ -0.0011227900000000, 0.0076365600000000, 0.0010326600000000 ] - [ -0.0743840400000000, -0.2028129500000000, -0.0595635000000000 ] - [ 0.0003773200000000, 0.0002909100000000, 0.0001158300000000 ] - [ -0.0007495900000000, -0.0002482800000000, -0.0010947000000000 ] - [ 0.0014845800000000, 0.0019752100000000, -0.0002210600000000 ] - [ -0.0009014300000000, -0.0004763000000000, -0.0002794200000000 ] - [ -0.0005971700000000, 0.0008626500000000, 0.0000743400000000 ] - [ 0.0009359900000000, 0.0004325900000000, 0.0001229100000000 ] - [ 0.0869890500000000, -0.1358367500000000, 0.0438707200000000 ] - [ -0.0009562000000000, -0.0002175200000000, 0.0009894900000000 ] - [ 0.0003862600000000, -0.0004951700000000, -0.0001380900000000 ] - [ -0.0024277100000000, -0.0367996400000000, 0.0016445000000000 ] - [ -0.0003369200000000, 0.0007394700000000, -0.0004009600000000 ] - [ -0.0332255500000000, -0.0433698800000000, 0.0115667100000000 ] - [ -0.0000923300000000, -0.0000312500000000, 0.0004142700000000 ] - [ -0.0032016300000000, 0.0074731200000000, 0.0046974400000000 ] - [ 0.0001469200000000, 0.0000098400000000, -0.0004739600000000 ] - [ -0.0004974400000000, 0.0010174200000000, 0.0016244400000000 ] - [ -0.0048352500000000, 0.0080528600000000, -0.0082770200000000 ] - [ 0.0002503400000000, -0.0005160400000000, -0.0005763500000000 ] - [ -0.0010404700000000, -0.0033996800000000, 0.0018706200000000 ] - [ -0.0008129200000000, -0.0015611000000000, 0.0006492200000000 ] - [ 0.0017611400000000, 0.0064065700000000, 0.0034167100000000 ] - [ 0.0003126600000000, -0.0003612100000000, 0.0001338800000000 ] - [ 0.0002688500000000, -0.0005155600000000, -0.0017417400000000 ] - [ -0.0001446400000000, 0.0006532700000000, -0.0000064000000000 ] - [ -0.0020589400000000, -0.0015435500000000, 0.0013752600000000 ] - [ 0.0001541500000000, -0.0002671200000000, -0.0000242700000000 ] - [ 0.0011505100000000, -0.0017122200000000, -0.0006424300000000 ] - [ 0.0010996300000000, -0.0062038700000000, 0.0055227000000000 ] - [ -0.0000512300000000, 0.0000249700000000, 0.0000129100000000 ] - [ -0.0029395400000000, -0.0018918100000000, 0.0001774200000000 ] - [ 0.0001449600000000, 0.0002020200000000, 0.0000165800000000 ] - [ -0.0029551000000000, -0.0019127000000000, -0.0072626000000000 ] - [ -0.0001047200000000, 0.0003456300000000, 0.0001164000000000 ] - [ 0.0028539100000000, 0.0016739000000000, -0.0007212200000000 ] - [ 0.0002330100000000, -0.0006253000000000, -0.0000701500000000 ] - [ 0.0000685800000000, 0.0004582700000000, -0.0000808400000000 ] - [ 0.0002768900000000, -0.0001220500000000, 0.0003087700000000 ] - [ -0.0017553500000000, 0.0002406500000000, 0.0064598900000000 ] - [ 0.0004051000000000, -0.0028315700000000, -0.0043439700000000 ] - [ 0.0006506000000000, -0.0000831700000000, -0.0003298600000000 ] - [ -0.0002067900000000, -0.0025096600000000, -0.0002081700000000 ] - [ -0.0006092000000000, 0.0004528500000000, 0.0009506200000000 ] - [ 0.0229017000000000, 0.0044735300000000, -0.0079852300000000 ] - [ 0.0048595400000000, 0.0070462600000000, 0.0013332900000000 ] - [ -0.0002389300000000, -0.0002732600000000, -0.0002429600000000 ] - [ 0.0045663100000000, -0.0370596100000000, 0.0022686000000000 ] - [ -0.0001331300000000, 0.0000923200000000, -0.0001668800000000 ] - [ -0.0000807800000000, -0.0010787400000000, -0.0003036700000000 ] - [ -0.0004084900000000, 0.0002539100000000, 0.0003749200000000 ] - [ -0.0008589600000000, 0.0012529000000000, -0.0053010400000000 ] - [ 0.0006017000000000, 0.0003699800000000, 0.0009371500000000 ] - [ -0.0001802500000000, 0.0001183600000000, -0.0001078000000000 ] - [ 0.0006387800000000, 0.0033651200000000, 0.0055172400000000 ] - [ -0.0003534800000000, -0.0004389700000000, 0.0002665700000000 ] - [ -0.0065343300000000, -0.0119275800000000, -0.0000384900000000 ] - [ 0.0080177900000000, 0.4417575800000000, 0.0073576000000000 ] - [ -0.0003731800000000, -0.0006327500000000, -0.0002795000000000 ] - [ 0.0052884500000000, -0.0024274100000000, -0.0034163000000000 ] - [ 0.0003871800000000, 0.0003854700000000, 0.0006814900000000 ] - [ -0.0002616300000000, 0.0030964100000000, 0.0001340300000000 ] - [ -0.0005984600000000, 0.0005025800000000, -0.0000973600000000 ] - [ -0.0003006100000000, -0.0123848000000000, 0.0052202200000000 ] - [ 0.0025428100000000, -0.0000875100000000, -0.0019988600000000 ]- atom: 77 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ -0.0024793000000000, 0.0001553500000000, -0.0033946800000000 ] - [ -0.0003141800000000, -0.0003375800000000, -0.0010970900000000 ] - [ -0.0001388900000000, -0.0003893000000000, -0.0001012100000000 ] - [ -0.0038410200000000, 0.0004531800000000, 0.0025436600000000 ] - [ 0.0017961300000000, 0.0002803600000000, -0.0050004500000000 ] - [ 0.0006012000000000, 0.0002338500000000, -0.0008651500000000 ] - [ -0.0009448900000000, -0.0001810800000000, 0.0004686100000000 ] - [ 0.0052108700000000, -0.0010024000000000, -0.0006981900000000 ] - [ 0.0000925000000000, 0.0001610500000000, -0.0056195600000000 ] - [ 0.0000320300000000, -0.0005161300000000, 0.0035929400000000 ] - [ -0.0006088900000000, 0.0002192200000000, -0.0028547600000000 ] - [ 0.0050987000000000, 0.0006253500000000, 0.0029109200000000 ] - [ 0.0063211900000000, 0.0008457500000000, -0.0022442900000000 ] - [ -0.0004017500000000, 0.0000328000000000, -0.0012600000000000 ] - [ -0.0004621300000000, -0.0022133100000000, 0.0038780400000000 ] - [ 0.0014150000000000, -0.0002675200000000, -0.0045996800000000 ] - [ 0.0005023300000000, -0.0002117800000000, -0.0017251700000000 ] - [ 0.0013824200000000, 0.0009805400000000, 0.0006276000000000 ] - [ -0.0007564700000000, 0.0019861600000000, -0.0033555600000000 ] - [ 0.0003401500000000, 0.0007651100000000, 0.0027492400000000 ] - [ -0.0095093900000000, 0.0139733000000000, 0.0371789000000000 ] - [ 0.0009849300000000, 0.0008833900000000, -0.0026412100000000 ] - [ -0.0009159700000000, -0.0007029800000000, -0.0068298100000000 ] - [ 0.0001717100000000, 0.0007593700000000, 0.0030874500000000 ] - [ -0.0008239700000000, -0.0006881000000000, -0.0021621300000000 ] - [ 0.0023163700000000, -0.0008223400000000, 0.0000289100000000 ] - [ 0.0012213600000000, 0.0007625400000000, -0.0009076700000000 ] - [ -0.0302818200000000, 0.0100938200000000, 0.0292321700000000 ] - [ -0.0015121700000000, -0.0015602400000000, -0.0023594100000000 ] - [ 0.0000778600000000, -0.0002697300000000, -0.0030147500000000 ] - [ -0.0002671400000000, -0.0053871500000000, 0.2006369500000000 ] - [ 0.0000020300000000, 0.0003743600000000, -0.0007757700000000 ] - [ -0.1565595200000000, -0.0296957700000000, 0.0990637400000000 ] - [ 0.0007625200000000, 0.0000810400000000, -0.0012880400000000 ] - [ -0.0029394200000000, 0.0005294300000000, 0.0029506000000000 ] - [ 0.0012236900000000, 0.0001481400000000, -0.0033361300000000 ] - [ 0.0002931500000000, 0.0001262300000000, -0.0014999700000000 ] - [ -0.0000379800000000, -0.0004339800000000, 0.0046410500000000 ] - [ -0.0002759000000000, -0.0012416000000000, -0.0028997400000000 ] - [ -0.0024548400000000, 0.0004076900000000, -0.0091556000000000 ] - [ 0.0004761400000000, 0.0017430500000000, -0.0011124300000000 ] - [ -0.0033047500000000, -0.0069451400000000, 0.0030066700000000 ] - [ 0.0000692900000000, -0.0003341500000000, -0.0012832800000000 ] - [ -0.0007673100000000, 0.0018086400000000, -0.0032699100000000 ] - [ -0.0001978900000000, 0.0007237100000000, -0.0017890500000000 ] - [ 0.0015702300000000, -0.0076843000000000, -0.0024458700000000 ] - [ 0.0004946200000000, -0.0010886300000000, -0.0013139600000000 ] - [ 0.0004528800000000, -0.0003212800000000, -0.0008230500000000 ] - [ 0.0030830600000000, -0.0022993500000000, -0.0004170100000000 ] - [ -0.0002033700000000, -0.0000610700000000, 0.0018678800000000 ] - [ -0.0049125100000000, -0.0046738300000000, -0.0053973800000000 ] - [ 0.0002742800000000, -0.0003126400000000, 0.0013499300000000 ] - [ 0.0020322900000000, 0.0028935000000000, 0.0003683500000000 ] - [ -0.0001479100000000, 0.0004234800000000, 0.0019928200000000 ] - [ -0.0046370400000000, 0.0033678700000000, -0.0058096600000000 ] - [ 0.0005742100000000, 0.0003659700000000, 0.0012696500000000 ] - [ -0.0006223700000000, 0.0005835700000000, 0.0018418000000000 ] - [ -0.0004472000000000, -0.0001927500000000, 0.0016428600000000 ] - [ -0.0047546300000000, -0.0069800600000000, 0.0058778800000000 ] - [ -0.0031105200000000, 0.0057863200000000, 0.0019925100000000 ] - [ 0.0013303000000000, -0.0000964600000000, 0.0042001500000000 ] - [ -0.0031552400000000, -0.0008639700000000, 0.0000926100000000 ] - [ -0.0004120600000000, -0.0014767600000000, 0.0029312200000000 ] - [ -0.0122313800000000, 0.0056679300000000, -0.0095828500000000 ] - [ -0.0157400500000000, 0.0097740300000000, 0.0288260600000000 ] - [ -0.0000699600000000, -0.0002204300000000, 0.0023422100000000 ] - [ -0.0005998800000000, 0.0022414700000000, -0.0076492900000000 ] - [ -0.0009793400000000, 0.0007452300000000, 0.0037198600000000 ] - [ 0.0010737200000000, -0.0008953000000000, 0.0027751900000000 ] - [ 0.0011612400000000, 0.0000009100000000, 0.0021948000000000 ] - [ 0.0212008500000000, 0.0129400700000000, 0.0086340600000000 ] - [ 0.0007011700000000, -0.0008871100000000, -0.0021747700000000 ] - [ -0.0008926100000000, -0.0004908700000000, 0.0045703800000000 ] - [ -0.0061560300000000, -0.0005467700000000, -0.0020661700000000 ] - [ -0.0008876600000000, -0.0021603000000000, 0.0102873300000000 ] - [ -0.0000315100000000, -0.0002832800000000, -0.0052866000000000 ] - [ 0.2156822800000000, -0.0030452800000000, -0.3917651800000000 ] - [ -0.0014726800000000, -0.0001730000000000, 0.0016659900000000 ] - [ 0.0043209200000000, 0.0056432200000000, 0.0013251200000000 ] - [ -0.0004251600000000, 0.0005067000000000, 0.0052166400000000 ] - [ -0.0000787600000000, -0.0043574500000000, 0.0102435400000000 ] - [ -0.0000121200000000, 0.0012370900000000, 0.0034617700000000 ] - [ 0.0010077200000000, 0.0027998200000000, -0.0002653000000000 ] - [ -0.0035758200000000, -0.0018194500000000, 0.0048497400000000 ]- atom: 77 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ 0.0011890800000000, -0.0008133500000000, 0.0034293500000000 ] - [ 0.0016197800000000, -0.0003155100000000, 0.0010783200000000 ] - [ 0.0014529200000000, 0.0010391100000000, 0.0000999300000000 ] - [ 0.0025855700000000, 0.0001903600000000, -0.0025482000000000 ] - [ -0.0014771000000000, 0.0001300800000000, 0.0039741800000000 ] - [ -0.0009286800000000, 0.0001828100000000, 0.0019086400000000 ] - [ 0.0006068200000000, -0.0002320400000000, 0.0005951400000000 ] - [ -0.0047713300000000, 0.0005777700000000, -0.0003697700000000 ] - [ 0.0006529400000000, -0.0003017300000000, 0.0046831800000000 ] - [ -0.0007930300000000, 0.0003725600000000, -0.0026505500000000 ] - [ -0.0001452300000000, -0.0000807400000000, 0.0038108300000000 ] - [ -0.0043683300000000, -0.0004978800000000, -0.0038734700000000 ] - [ -0.0056542800000000, -0.0006686700000000, 0.0013906600000000 ] - [ -0.0003027200000000, 0.0001619800000000, 0.0021156900000000 ] - [ -0.0002536900000000, 0.0020085100000000, -0.0030123300000000 ] - [ -0.0007454600000000, 0.0000801200000000, 0.0037427600000000 ] - [ 0.0003900500000000, -0.0004361700000000, 0.0021529600000000 ] - [ -0.0022826300000000, -0.0016233800000000, -0.0010679400000000 ] - [ -0.0001420600000000, -0.0013493000000000, 0.0029438400000000 ] - [ 0.0005429200000000, -0.0001240400000000, -0.0023167500000000 ] - [ 0.0096249800000000, -0.0142458900000000, -0.0367041400000000 ] - [ -0.0003682400000000, -0.0006121600000000, 0.0029958100000000 ] - [ 0.0002971900000000, 0.0004460000000000, 0.0065419200000000 ] - [ 0.0004436800000000, -0.0010331900000000, -0.0027335300000000 ] - [ -0.0007260200000000, -0.0001693000000000, 0.0016736100000000 ] - [ -0.0007622500000000, -0.0000397700000000, 0.0004622500000000 ] - [ 0.0003300900000000, 0.0000925800000000, 0.0014021700000000 ] - [ 0.0294999700000000, -0.0097817100000000, -0.0296211900000000 ] - [ 0.0007181000000000, 0.0006772400000000, 0.0020512000000000 ] - [ 0.0007225300000000, -0.0006267600000000, 0.0033143200000000 ] - [ 0.0031614900000000, 0.0061696000000000, -0.1909166300000000 ] - [ -0.0007943700000000, 0.0005116700000000, 0.0004858000000000 ] - [ 0.1655816800000000, 0.0315495200000000, -0.1031158200000000 ] - [ -0.0009756800000000, -0.0001165300000000, 0.0022740900000000 ] - [ 0.0027299200000000, -0.0005065700000000, -0.0019882300000000 ] - [ -0.0010194000000000, -0.0001058800000000, 0.0023425300000000 ] - [ -0.0005887600000000, 0.0010988500000000, 0.0028615800000000 ] - [ 0.0003679500000000, 0.0016525600000000, -0.0059920200000000 ] - [ 0.0006000800000000, 0.0000078000000000, 0.0015388300000000 ] - [ 0.0021514200000000, -0.0016571500000000, 0.0105952100000000 ] - [ -0.0008945100000000, -0.0014172700000000, 0.0007777600000000 ] - [ 0.0037279400000000, 0.0072401000000000, -0.0026867200000000 ] - [ 0.0003664000000000, 0.0000403600000000, 0.0016056600000000 ] - [ 0.0003376300000000, -0.0021391100000000, 0.0029603900000000 ] - [ 0.0000196400000000, 0.0003252900000000, 0.0018101200000000 ] - [ -0.0014063200000000, 0.0087945100000000, 0.0024231700000000 ] - [ -0.0003273000000000, 0.0000240600000000, 0.0012863900000000 ] - [ -0.0010766700000000, 0.0006009700000000, 0.0004519300000000 ] - [ -0.0030912600000000, 0.0022459700000000, 0.0004394400000000 ] - [ 0.0001944000000000, -0.0000069500000000, -0.0018896600000000 ] - [ 0.0049135800000000, 0.0047437800000000, 0.0053871600000000 ] - [ -0.0002651000000000, 0.0003768900000000, -0.0013348700000000 ] - [ -0.0019139500000000, -0.0021263600000000, -0.0005006800000000 ] - [ 0.0000086900000000, 0.0003557800000000, -0.0018517900000000 ] - [ 0.0045015500000000, -0.0041493700000000, 0.0059676700000000 ] - [ -0.0004377400000000, -0.0011448000000000, -0.0014147700000000 ] - [ 0.0003988500000000, -0.0001981700000000, -0.0018251700000000 ] - [ 0.0006805000000000, 0.0005828900000000, -0.0016610000000000 ] - [ 0.0049601400000000, 0.0065108200000000, -0.0058207400000000 ] - [ 0.0028802100000000, -0.0061302700000000, -0.0019566300000000 ] - [ -0.0001822100000000, -0.0001641200000000, -0.0049362400000000 ] - [ 0.0020253600000000, 0.0006016100000000, 0.0006304300000000 ] - [ -0.0007311600000000, 0.0017308400000000, -0.0022144400000000 ] - [ 0.0133486700000000, -0.0054110300000000, 0.0087550900000000 ] - [ 0.0165205600000000, -0.0101652000000000, -0.0285411600000000 ] - [ -0.0004672400000000, -0.0001016400000000, -0.0028597700000000 ] - [ 0.0000597600000000, -0.0018513300000000, 0.0071402400000000 ] - [ 0.0015193000000000, -0.0004221800000000, -0.0031968000000000 ] - [ -0.0006479200000000, 0.0007789100000000, -0.0028366300000000 ] - [ -0.0015987000000000, -0.0001342100000000, -0.0021260200000000 ] - [ -0.0215992300000000, -0.0128315100000000, -0.0085441400000000 ] - [ -0.0002832600000000, 0.0010038100000000, 0.0021064000000000 ] - [ 0.0006278900000000, 0.0007324600000000, -0.0049690900000000 ] - [ 0.0064531100000000, 0.0007883800000000, 0.0025202700000000 ] - [ 0.0011954900000000, 0.0019236300000000, -0.0099217100000000 ] - [ -0.0002047200000000, 0.0000401100000000, 0.0048690900000000 ] - [ -0.2274714100000000, 0.0003641500000000, 0.3858609800000000 ] - [ 0.0010244800000000, -0.0006415200000000, -0.0026061800000000 ] - [ -0.0047917600000000, -0.0048745800000000, -0.0022528700000000 ] - [ 0.0008730000000000, 0.0003089800000000, -0.0042805600000000 ] - [ 0.0002550200000000, 0.0054702500000000, -0.0107105000000000 ] - [ -0.0001698800000000, -0.0001868400000000, -0.0030520200000000 ] - [ -0.0011794800000000, -0.0038406700000000, 0.0006515700000000 ] - [ 0.0036777600000000, 0.0007412000000000, -0.0052078100000000 ]- atom: 81 displacement: [ 0.0099999994644597, 0.0000000000000000, -0.0000032727368067 ] forces: - [ 0.1614717300000000, 0.0138635400000000, 0.0908121100000000 ] - [ 0.0031245500000000, -0.0019936500000000, 0.0009093400000000 ] - [ 0.0005393400000000, 0.0003141400000000, 0.0003064500000000 ] - [ -0.0007783600000000, 0.0003240000000000, 0.0002598600000000 ] - [ 0.1731050200000000, -0.0141597100000000, -0.0943836500000000 ] - [ -0.0019526100000000, -0.0006276100000000, 0.0019160600000000 ] - [ -0.0001530000000000, -0.0001329400000000, 0.0009302300000000 ] - [ 0.0000859500000000, -0.0003039700000000, -0.0001376300000000 ] - [ 0.0044131900000000, -0.0002495100000000, 0.0033746600000000 ] - [ -0.0002773300000000, -0.0000418300000000, 0.0014117700000000 ] - [ -0.0007696300000000, 0.0005328600000000, 0.0016301800000000 ] - [ -0.0018081900000000, 0.0005400900000000, -0.0001159200000000 ] - [ -0.0076141600000000, 0.0009611000000000, -0.0049374000000000 ] - [ -0.0018110200000000, 0.0007128400000000, 0.0007430800000000 ] - [ -0.0000937600000000, -0.0000576500000000, 0.0007174800000000 ] - [ 0.0015344400000000, -0.0000348100000000, 0.0005865700000000 ] - [ 0.0034316700000000, 0.0055419400000000, 0.0026382300000000 ] - [ -0.0044604300000000, 0.0003521600000000, 0.0016709600000000 ] - [ -0.0002478000000000, 0.0002984900000000, 0.0003806300000000 ] - [ 0.0003869800000000, 0.0003308300000000, 0.0005825900000000 ] - [ 0.0002242300000000, -0.0005256500000000, 0.0000858100000000 ] - [ 0.0028150700000000, -0.0000073200000000, -0.0004679200000000 ] - [ -0.0004574200000000, -0.0002598700000000, 0.0004467500000000 ] - [ 0.0001561400000000, -0.0000410400000000, 0.0006356500000000 ] - [ -0.0081850100000000, -0.0009578600000000, 0.0028899700000000 ] - [ -0.0000743200000000, -0.0005505700000000, -0.0000059900000000 ] - [ 0.0013199800000000, 0.0004521500000000, -0.0000091500000000 ] - [ -0.0003571100000000, 0.0002087500000000, 0.0004371200000000 ] - [ 0.0005622400000000, 0.0010671300000000, -0.0014995300000000 ] - [ -0.0086963200000000, 0.0002327800000000, -0.0032783600000000 ] - [ 0.0006263800000000, 0.0004299300000000, 0.0005864400000000 ] - [ -0.0004652400000000, 0.0005528000000000, -0.0001220200000000 ] - [ 0.0007405200000000, 0.0001011700000000, -0.0004129200000000 ] - [ -0.0006449700000000, -0.0000050000000000, 0.0003256000000000 ] - [ 0.0001324400000000, 0.0001026700000000, 0.0002256500000000 ] - [ -0.0043511100000000, 0.0001035900000000, -0.0026383000000000 ] - [ -0.0003747000000000, 0.0006506700000000, 0.0007335200000000 ] - [ 0.0001991200000000, 0.0005064400000000, -0.0003811100000000 ] - [ -0.0017599200000000, -0.0005790200000000, -0.0020471900000000 ] - [ 0.0384742900000000, 0.0010175800000000, 0.0029793300000000 ] - [ -0.0003392800000000, 0.0001509500000000, 0.0001012400000000 ] - [ 0.0002067000000000, 0.0001423100000000, 0.0004120800000000 ] - [ -0.0036755100000000, -0.0068570800000000, 0.0000089400000000 ] - [ 0.0342109900000000, 0.0059487200000000, 0.0017641100000000 ] - [ -0.0031212500000000, 0.0000641800000000, 0.0001214600000000 ] - [ 0.0009741000000000, -0.0002382300000000, 0.0003194700000000 ] - [ 0.0000428200000000, -0.0002653400000000, -0.0006493600000000 ] - [ -0.0085857400000000, 0.0010838600000000, 0.0063587400000000 ] - [ -0.0006373100000000, -0.0023833800000000, -0.0024612200000000 ] - [ -0.0005651200000000, 0.0033693900000000, 0.0052360700000000 ] - [ 0.0001936100000000, 0.0000624800000000, -0.0000026200000000 ] - [ 0.0003917500000000, -0.0003037000000000, -0.0006583100000000 ] - [ -0.0008942500000000, 0.0017861600000000, -0.0020559100000000 ] - [ -0.0016849900000000, -0.0040033900000000, 0.0067836400000000 ] - [ 0.0001211000000000, -0.0004068600000000, -0.0000752800000000 ] - [ 0.0003767100000000, -0.0002780500000000, -0.0005060800000000 ] - [ 0.0055574400000000, -0.0046662900000000, 0.0011960400000000 ] - [ 0.0100488400000000, 0.0078535700000000, 0.0013118000000000 ] - [ 0.0000209100000000, -0.0002912300000000, -0.0002417500000000 ] - [ -0.0002239700000000, -0.0001269700000000, -0.0001901300000000 ] - [ -0.0031195500000000, -0.0109269400000000, -0.0248578800000000 ] - [ 0.0005241800000000, -0.0005570500000000, -0.0004347800000000 ] - [ -0.0014458900000000, -0.0000299700000000, -0.0004425600000000 ] - [ 0.0004967500000000, 0.0002622000000000, -0.0011109300000000 ] - [ 0.0010388900000000, -0.0061529100000000, 0.0120042500000000 ] - [ 0.0030800100000000, 0.0004367000000000, 0.0010068300000000 ] - [ -0.0005280600000000, 0.0001510300000000, -0.0004269800000000 ] - [ -0.0001273000000000, 0.0002094000000000, 0.0012954300000000 ] - [ -0.0037823700000000, 0.0002348900000000, 0.0010376200000000 ] - [ 0.0337606500000000, 0.0107235400000000, 0.0003040200000000 ] - [ -0.0001509500000000, 0.0000169300000000, -0.0005652400000000 ] - [ 0.0003990400000000, 0.0000192900000000, -0.0004024000000000 ] - [ 0.0022970000000000, -0.0024198200000000, -0.0012963400000000 ] - [ 0.0138562700000000, -0.0036081500000000, -0.0018184400000000 ] - [ 0.0005406100000000, -0.0002369100000000, -0.0023077500000000 ] - [ -0.0001171300000000, -0.0001957300000000, -0.0013653300000000 ] - [ -0.0006369100000000, -0.0000608100000000, -0.0002208900000000 ] - [ 0.0000372700000000, -0.0009166000000000, -0.0002317800000000 ] - [ 0.0000303200000000, 0.0006170600000000, 0.0009339700000000 ] - [ 0.0122522500000000, 0.0028524700000000, 0.0030938900000000 ] - [ -0.4398509700000000, -0.0031399100000000, -0.0039048800000000 ] - [ 0.0007658800000000, 0.0043069300000000, -0.0037521800000000 ] - [ 0.0000234800000000, -0.0004585300000000, -0.0004050900000000 ] - [ 0.0002281300000000, -0.0004378500000000, -0.0006844400000000 ]- atom: 81 displacement: [ -0.0099999994644597, 0.0000000000000000, 0.0000032727368067 ] forces: - [ -0.1696711600000000, -0.0154806700000000, -0.0971696400000000 ] - [ -0.0018542200000000, 0.0013541700000000, -0.0009229800000000 ] - [ 0.0007635900000000, 0.0003349300000000, -0.0003267900000000 ] - [ -0.0005219600000000, 0.0003231800000000, -0.0002530200000000 ] - [ -0.1655837300000000, 0.0134226200000000, 0.0870213700000000 ] - [ 0.0016222200000000, 0.0010349800000000, -0.0008535000000000 ] - [ -0.0001662300000000, -0.0002818600000000, 0.0001093000000000 ] - [ 0.0002368000000000, -0.0001091700000000, -0.0009166600000000 ] - [ -0.0036698900000000, 0.0001109900000000, -0.0043210800000000 ] - [ -0.0004815100000000, -0.0001082400000000, -0.0004667800000000 ] - [ 0.0000314600000000, -0.0003939700000000, -0.0006915000000000 ] - [ 0.0025437200000000, -0.0004013200000000, -0.0008788100000000 ] - [ 0.0082588400000000, -0.0007666200000000, 0.0040231400000000 ] - [ 0.0011354100000000, -0.0005368400000000, 0.0000934300000000 ] - [ -0.0006215400000000, -0.0001297600000000, 0.0001090400000000 ] - [ -0.0008330000000000, -0.0001594000000000, -0.0014396900000000 ] - [ -0.0025359100000000, -0.0061764200000000, -0.0022084200000000 ] - [ 0.0035689400000000, -0.0010210700000000, -0.0021172100000000 ] - [ -0.0006424500000000, 0.0003447800000000, -0.0008093100000000 ] - [ 0.0005064900000000, 0.0003189100000000, -0.0001679200000000 ] - [ -0.0003987000000000, -0.0005435200000000, -0.0000608700000000 ] - [ -0.0021710800000000, 0.0003146700000000, 0.0008077400000000 ] - [ -0.0001657600000000, -0.0000393700000000, -0.0008079300000000 ] - [ 0.0004811000000000, -0.0002709900000000, -0.0002993200000000 ] - [ 0.0066828600000000, 0.0001061200000000, -0.0033949400000000 ] - [ 0.0016409200000000, -0.0002966100000000, 0.0004881400000000 ] - [ 0.0002293800000000, 0.0003971200000000, 0.0004966300000000 ] - [ -0.0012051800000000, 0.0006494700000000, -0.0009301600000000 ] - [ -0.0013255200000000, -0.0019418000000000, 0.0012119400000000 ] - [ 0.0094855800000000, -0.0011157900000000, 0.0036347700000000 ] - [ 0.0001699600000000, 0.0004568500000000, -0.0002834700000000 ] - [ -0.0003311300000000, 0.0003339600000000, -0.0001893100000000 ] - [ -0.0005136800000000, -0.0001462200000000, -0.0005736500000000 ] - [ 0.0004343200000000, -0.0000446600000000, 0.0006799700000000 ] - [ -0.0003302200000000, -0.0000526700000000, 0.0007733600000000 ] - [ 0.0045523100000000, -0.0000621400000000, 0.0016588700000000 ] - [ 0.0000549400000000, 0.0005696900000000, 0.0006124500000000 ] - [ 0.0001133200000000, 0.0007142000000000, -0.0009815300000000 ] - [ 0.0020586500000000, -0.0006384500000000, 0.0006959600000000 ] - [ -0.0388662100000000, -0.0016618100000000, -0.0024286500000000 ] - [ -0.0000983600000000, 0.0001580400000000, -0.0004294700000000 ] - [ 0.0002353000000000, 0.0001692600000000, -0.0000881400000000 ] - [ 0.0041093200000000, 0.0065605700000000, 0.0003275500000000 ] - [ -0.0347755000000000, -0.0071373400000000, -0.0025928400000000 ] - [ 0.0029744900000000, 0.0010058900000000, -0.0000775600000000 ] - [ -0.0007949600000000, 0.0013147000000000, -0.0003468200000000 ] - [ 0.0001269400000000, -0.0007851600000000, 0.0006265200000000 ] - [ 0.0079800600000000, -0.0007832600000000, -0.0067339500000000 ] - [ 0.0006698100000000, 0.0023151600000000, 0.0024907400000000 ] - [ 0.0005603400000000, -0.0034331900000000, -0.0052564100000000 ] - [ -0.0002085700000000, 0.0000103000000000, -0.0000046900000000 ] - [ -0.0003831800000000, 0.0003741600000000, 0.0006761100000000 ] - [ 0.0010486100000000, -0.0010246100000000, 0.0019210300000000 ] - [ 0.0015599900000000, 0.0047825100000000, -0.0066557300000000 ] - [ -0.0002647600000000, -0.0003743600000000, 0.0002286400000000 ] - [ -0.0002389700000000, -0.0005015900000000, 0.0003625500000000 ] - [ -0.0057722400000000, 0.0050154400000000, -0.0011960700000000 ] - [ -0.0097225600000000, -0.0073607200000000, -0.0013578200000000 ] - [ 0.0002099200000000, -0.0000981400000000, 0.0002267200000000 ] - [ -0.0000020000000000, -0.0002620900000000, 0.0002124100000000 ] - [ 0.0042749100000000, 0.0106677400000000, 0.0240877500000000 ] - [ -0.0016656000000000, 0.0003216000000000, 0.0011520300000000 ] - [ 0.0003023700000000, 0.0002850900000000, 0.0011731300000000 ] - [ 0.0006623000000000, -0.0000002400000000, 0.0004168200000000 ] - [ -0.0006021300000000, 0.0058245700000000, -0.0114143000000000 ] - [ -0.0036236200000000, -0.0007580200000000, -0.0015336300000000 ] - [ -0.0000013700000000, 0.0001735100000000, -0.0000867800000000 ] - [ 0.0006683900000000, 0.0001093800000000, -0.0007767800000000 ] - [ 0.0042082100000000, -0.0004165000000000, -0.0011002300000000 ] - [ -0.0344224900000000, -0.0109523500000000, -0.0003653000000000 ] - [ -0.0002741900000000, 0.0001050300000000, 0.0006312400000000 ] - [ 0.0000237900000000, 0.0001042200000000, 0.0003525600000000 ] - [ -0.0025903500000000, 0.0026570100000000, 0.0008948500000000 ] - [ -0.0135426000000000, 0.0038840100000000, 0.0022975800000000 ] - [ -0.0002640700000000, -0.0000059200000000, 0.0027058000000000 ] - [ -0.0001428800000000, -0.0000457400000000, 0.0009793900000000 ] - [ 0.0010839100000000, -0.0007591000000000, 0.0011517000000000 ] - [ -0.0004739200000000, 0.0000981600000000, -0.0007022400000000 ] - [ -0.0005176400000000, 0.0001916900000000, -0.0018937600000000 ] - [ -0.0118288200000000, -0.0020555200000000, -0.0022110700000000 ] - [ 0.4400062600000000, 0.0066999400000000, 0.0177191300000000 ] - [ -0.0009190500000000, -0.0032667800000000, 0.0041538300000000 ] - [ -0.0002034500000000, -0.0005973000000000, 0.0008245500000000 ] - [ -0.0000533900000000, -0.0006172800000000, 0.0002879900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0155107900000000, 0.0365631900000000, 0.0097062900000000 ] - [ 0.0060677500000000, -0.0083368200000000, 0.0005350700000000 ] - [ 0.0007201100000000, 0.0003525400000000, 0.0003271500000000 ] - [ -0.0003973100000000, 0.0003293100000000, 0.0003570000000000 ] - [ -0.0172974800000000, 0.0396692000000000, 0.0126245000000000 ] - [ 0.0008233800000000, -0.0003031500000000, 0.0002914500000000 ] - [ -0.0002685100000000, -0.0001627500000000, 0.0010032600000000 ] - [ 0.0000577300000000, -0.0001682800000000, -0.0002876200000000 ] - [ 0.0001256400000000, 0.0002507800000000, -0.0011798900000000 ] - [ -0.0003454300000000, -0.0007723400000000, -0.0003881900000000 ] - [ -0.0008832200000000, -0.0017561100000000, 0.0025866400000000 ] - [ 0.0007544600000000, 0.0008675100000000, -0.0002927600000000 ] - [ 0.0037686100000000, 0.0038389900000000, -0.0002675000000000 ] - [ -0.0015201300000000, -0.0016016500000000, 0.0009646100000000 ] - [ -0.0004362700000000, -0.0003602400000000, 0.0001803700000000 ] - [ 0.0002664700000000, -0.0001160100000000, -0.0004021500000000 ] - [ 0.0019857800000000, -0.0064371000000000, -0.0016816600000000 ] - [ 0.0026986300000000, 0.0026559800000000, -0.0009253600000000 ] - [ -0.0003878300000000, -0.0001094900000000, -0.0001390800000000 ] - [ 0.0003636000000000, 0.0006146500000000, 0.0000187200000000 ] - [ -0.0005597100000000, -0.0013452200000000, 0.0026407400000000 ] - [ -0.0037831800000000, -0.0073678900000000, 0.0091979200000000 ] - [ -0.0002675900000000, -0.0000962700000000, 0.0000118900000000 ] - [ 0.0004263200000000, -0.0003610400000000, 0.0000945600000000 ] - [ -0.0008227800000000, -0.0008105000000000, -0.0001892400000000 ] - [ -0.0003513500000000, -0.0025503300000000, -0.0012365100000000 ] - [ 0.0008185000000000, 0.0002429400000000, 0.0004857800000000 ] - [ -0.0015581000000000, 0.0020961300000000, -0.0008975100000000 ] - [ -0.0033974400000000, -0.0100979200000000, -0.0036295400000000 ] - [ 0.0001227600000000, -0.0001963200000000, -0.0006585200000000 ] - [ 0.0000569300000000, 0.0007437300000000, 0.0013545100000000 ] - [ -0.0003779700000000, 0.0004072800000000, 0.0002318500000000 ] - [ 0.0002848800000000, 0.0023825500000000, 0.0047044800000000 ] - [ -0.0003095700000000, -0.0000500200000000, 0.0010427300000000 ] - [ -0.0007849000000000, -0.0041933900000000, -0.0020486500000000 ] - [ -0.0001143200000000, 0.0000464900000000, -0.0008600400000000 ] - [ -0.0000929100000000, 0.0007525200000000, 0.0009526500000000 ] - [ 0.0001888100000000, 0.0002446100000000, -0.0005285500000000 ] - [ 0.0015258300000000, -0.0008571900000000, 0.0004216000000000 ] - [ 0.0056932900000000, 0.1259350900000000, -0.0967662200000000 ] - [ -0.0002017100000000, -0.0000637500000000, 0.0000211100000000 ] - [ 0.0002404700000000, 0.0005221600000000, 0.0003038100000000 ] - [ 0.0003401500000000, -0.0019264900000000, 0.0008981100000000 ] - [ 0.0060055200000000, 0.2052224500000000, 0.0862093300000000 ] - [ -0.0000564600000000, 0.0015911600000000, -0.0001656300000000 ] - [ 0.0017573600000000, -0.0063534400000000, 0.0006534700000000 ] - [ 0.0002210300000000, -0.0002873100000000, 0.0003843300000000 ] - [ -0.0027302200000000, 0.0013147700000000, 0.0004696000000000 ] - [ -0.0046295900000000, 0.0020087300000000, 0.0074734600000000 ] - [ 0.0009130000000000, 0.0006606500000000, 0.0010571100000000 ] - [ -0.0000891800000000, -0.0006774100000000, 0.0003735500000000 ] - [ 0.0000647700000000, 0.0003296900000000, -0.0001564400000000 ] - [ 0.0036099300000000, 0.0057719300000000, -0.0027285400000000 ] - [ -0.0025901900000000, -0.0010574200000000, -0.0032906200000000 ] - [ -0.0004552900000000, -0.0000828100000000, -0.0004059600000000 ] - [ 0.0001782400000000, -0.0006530100000000, -0.0003478100000000 ] - [ -0.0031360800000000, 0.0026781900000000, 0.0013160600000000 ] - [ 0.0087127900000000, -0.0006890600000000, -0.0024179800000000 ] - [ 0.0002242300000000, -0.0000025400000000, -0.0003187700000000 ] - [ -0.0000416400000000, -0.0003795200000000, -0.0001258000000000 ] - [ -0.0026081200000000, 0.0011892800000000, 0.0061421700000000 ] - [ -0.0003407400000000, 0.0000883600000000, 0.0013635300000000 ] - [ -0.0009635700000000, 0.0007310400000000, -0.0003687800000000 ] - [ 0.0006735700000000, -0.0003997000000000, -0.0005259200000000 ] - [ -0.0174349800000000, -0.0056989200000000, -0.0145737400000000 ] - [ -0.0003398200000000, -0.0007314300000000, -0.0013531900000000 ] - [ -0.0007368200000000, 0.0022586500000000, 0.0003804600000000 ] - [ 0.0002150700000000, -0.0002103200000000, 0.0001483600000000 ] - [ -0.0000392200000000, 0.0361507500000000, -0.0059217200000000 ] - [ 0.0059850400000000, 0.0006799100000000, 0.0027726700000000 ] - [ -0.0005260700000000, -0.0002926800000000, -0.0006169100000000 ] - [ 0.0001257600000000, 0.0002264600000000, -0.0002047400000000 ] - [ 0.0035750800000000, 0.0110740800000000, -0.0040209600000000 ] - [ -0.0012463000000000, -0.0042802600000000, -0.0011641100000000 ] - [ -0.0000378800000000, 0.0001682200000000, 0.0003815900000000 ] - [ -0.0002008100000000, 0.0000647500000000, 0.0007512600000000 ] - [ 0.0034286600000000, -0.0029832600000000, -0.0033832300000000 ] - [ -0.0000759400000000, -0.0003848400000000, -0.0012090300000000 ] - [ 0.0030281500000000, 0.0122683000000000, 0.0052344400000000 ] - [ -0.0000040700000000, -0.0000325600000000, 0.0018243800000000 ] - [ -0.0051938700000000, -0.4309384200000000, -0.0080254900000000 ] - [ -0.0039081500000000, 0.0042387400000000, -0.0029855800000000 ] - [ -0.0000167900000000, -0.0006201500000000, -0.0004114900000000 ] - [ 0.0000003900000000, -0.0004364700000000, -0.0007911000000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0161556800000000, -0.0369267700000000, -0.0091603200000000 ] - [ -0.0047217900000000, 0.0076882700000000, -0.0005547000000000 ] - [ 0.0005863600000000, 0.0003018100000000, -0.0003414100000000 ] - [ -0.0009122600000000, 0.0003232300000000, -0.0003364700000000 ] - [ 0.0169827100000000, -0.0389287100000000, -0.0131332500000000 ] - [ -0.0011373400000000, 0.0007173500000000, 0.0007485300000000 ] - [ -0.0000678300000000, -0.0002427600000000, 0.0000666300000000 ] - [ 0.0002733800000000, -0.0002428700000000, -0.0007595500000000 ] - [ 0.0006270000000000, -0.0004014400000000, 0.0002088100000000 ] - [ -0.0004036900000000, 0.0006327800000000, 0.0013305900000000 ] - [ 0.0001209800000000, 0.0019071500000000, -0.0016189100000000 ] - [ -0.0000045300000000, -0.0007242000000000, -0.0006430900000000 ] - [ -0.0030583300000000, -0.0036429400000000, -0.0005794300000000 ] - [ 0.0008011300000000, 0.0017866200000000, -0.0001248600000000 ] - [ -0.0002724000000000, 0.0001748000000000, 0.0006569600000000 ] - [ 0.0004298200000000, -0.0000653500000000, -0.0004330300000000 ] - [ -0.0011217500000000, 0.0057951800000000, 0.0021551000000000 ] - [ -0.0035800400000000, -0.0032752600000000, 0.0004964200000000 ] - [ -0.0005024600000000, 0.0007337300000000, -0.0002845900000000 ] - [ 0.0005269800000000, 0.0000345800000000, 0.0004086500000000 ] - [ 0.0003839700000000, 0.0002773800000000, -0.0025992700000000 ] - [ 0.0043703700000000, 0.0076150700000000, -0.0087726300000000 ] - [ -0.0003593400000000, -0.0002079700000000, -0.0003706000000000 ] - [ 0.0002023100000000, 0.0000563200000000, 0.0002651200000000 ] - [ -0.0007240500000000, -0.0000440200000000, -0.0003118000000000 ] - [ 0.0018992100000000, 0.0017145400000000, 0.0017094200000000 ] - [ 0.0007444500000000, 0.0005938800000000, -0.0000000800000000 ] - [ -0.0000001000000000, -0.0012479500000000, 0.0004205800000000 ] - [ 0.0025875700000000, 0.0092463500000000, 0.0032572200000000 ] - [ 0.0006690400000000, -0.0006910100000000, 0.0009553300000000 ] - [ 0.0007457000000000, 0.0001471100000000, -0.0010325300000000 ] - [ -0.0004216200000000, 0.0004841000000000, -0.0005338100000000 ] - [ -0.0000679100000000, -0.0024124800000000, -0.0056527000000000 ] - [ 0.0001034200000000, 0.0000032500000000, -0.0000373400000000 ] - [ 0.0005781500000000, 0.0042415500000000, 0.0030293200000000 ] - [ 0.0003135700000000, 0.0000049400000000, -0.0001473600000000 ] - [ -0.0002136800000000, 0.0004688300000000, 0.0004087800000000 ] - [ 0.0001260100000000, 0.0009767100000000, -0.0008231300000000 ] - [ -0.0012088600000000, -0.0003511600000000, -0.0017678000000000 ] - [ -0.0059312300000000, -0.1304081500000000, 0.1033685400000000 ] - [ -0.0002417500000000, 0.0003643900000000, -0.0003454800000000 ] - [ 0.0002032000000000, -0.0002103800000000, 0.0000324900000000 ] - [ 0.0001169900000000, 0.0016090600000000, -0.0005619300000000 ] - [ -0.0058800200000000, -0.1949957500000000, -0.0803290400000000 ] - [ -0.0001038300000000, -0.0005082700000000, 0.0001935200000000 ] - [ -0.0015731400000000, 0.0073833900000000, -0.0006835800000000 ] - [ -0.0000592000000000, -0.0007708000000000, -0.0004114100000000 ] - [ 0.0020994500000000, -0.0010267100000000, -0.0008273200000000 ] - [ 0.0046319600000000, -0.0020722200000000, -0.0074167100000000 ] - [ -0.0009327300000000, -0.0007104200000000, -0.0010875600000000 ] - [ 0.0000766300000000, 0.0007447300000000, -0.0003922500000000 ] - [ -0.0000528800000000, -0.0002592600000000, 0.0001736000000000 ] - [ -0.0034816700000000, -0.0049911100000000, 0.0026295100000000 ] - [ 0.0024414000000000, 0.0018122400000000, 0.0034097500000000 ] - [ 0.0003150200000000, -0.0006917400000000, 0.0005505700000000 ] - [ -0.0000374300000000, -0.0001290300000000, 0.0002004800000000 ] - [ 0.0029387800000000, -0.0022818300000000, -0.0012940700000000 ] - [ -0.0084257200000000, 0.0010641900000000, 0.0024040400000000 ] - [ 0.0000046100000000, -0.0003831800000000, 0.0002965600000000 ] - [ -0.0001864000000000, -0.0000093200000000, 0.0001414300000000 ] - [ 0.0037447000000000, -0.0013470800000000, -0.0068529300000000 ] - [ -0.0007956800000000, -0.0003527400000000, -0.0006356900000000 ] - [ -0.0001892600000000, -0.0004683200000000, 0.0010755200000000 ] - [ 0.0004681300000000, 0.0006551900000000, -0.0001945800000000 ] - [ 0.0179495100000000, 0.0054278600000000, 0.0151119800000000 ] - [ -0.0001924300000000, 0.0003994800000000, 0.0008235200000000 ] - [ 0.0001987500000000, -0.0019236300000000, -0.0009024600000000 ] - [ 0.0003210800000000, 0.0005291600000000, 0.0003698300000000 ] - [ 0.0004697900000000, -0.0359996000000000, 0.0059230200000000 ] - [ -0.0063906900000000, -0.0007320300000000, -0.0026926000000000 ] - [ 0.0000998700000000, 0.0004141900000000, 0.0006696600000000 ] - [ 0.0002968000000000, -0.0000987400000000, 0.0001427900000000 ] - [ -0.0037721500000000, -0.0108188600000000, 0.0035789600000000 ] - [ 0.0015176000000000, 0.0045157100000000, 0.0015636600000000 ] - [ 0.0003050900000000, -0.0004019800000000, 0.0000214700000000 ] - [ -0.0000631500000000, -0.0003123800000000, -0.0011581300000000 ] - [ -0.0029785300000000, 0.0021677600000000, 0.0042788800000000 ] - [ -0.0003714700000000, -0.0004375400000000, 0.0002647800000000 ] - [ -0.0034801800000000, -0.0114579100000000, -0.0060966100000000 ] - [ 0.0004478700000000, 0.0008434300000000, -0.0008646900000000 ] - [ 0.0046599600000000, 0.4235806500000000, -0.0051302900000000 ] - [ 0.0036687500000000, -0.0031795200000000, 0.0033686000000000 ] - [ -0.0001546700000000, -0.0004370100000000, 0.0008078100000000 ] - [ 0.0001797800000000, -0.0006165200000000, 0.0003775700000000 ]- atom: 81 displacement: [ -0.0049326899638558, 0.0000000000000000, 0.0086987682875494 ] forces: - [ -0.0027685900000000, 0.0005531700000000, 0.0498416900000000 ] - [ 0.0052432400000000, -0.0019800700000000, 0.0044244300000000 ] - [ 0.0002585500000000, 0.0003297300000000, -0.0020539800000000 ] - [ -0.0011571700000000, 0.0002380900000000, -0.0021601400000000 ] - [ -0.1599705600000000, 0.0169175900000000, 0.1319546400000000 ] - [ -0.0000038800000000, -0.0003185600000000, 0.0042543800000000 ] - [ 0.0006229900000000, -0.0006345900000000, -0.0023688200000000 ] - [ 0.0011642900000000, 0.0001419200000000, -0.0033495300000000 ] - [ -0.0020489700000000, -0.0002149900000000, -0.0102085300000000 ] - [ 0.0000898700000000, -0.0000150200000000, -0.0008832300000000 ] - [ 0.0001084000000000, -0.0012208900000000, -0.0016458600000000 ] - [ 0.0006392500000000, 0.0000273500000000, -0.0006414500000000 ] - [ -0.0025485500000000, -0.0010467600000000, 0.0036049000000000 ] - [ 0.0016009900000000, -0.0010679500000000, 0.0011054100000000 ] - [ 0.0001278900000000, 0.0000380600000000, -0.0009836100000000 ] - [ -0.0011386400000000, -0.0002930200000000, -0.0037941800000000 ] - [ -0.0000916400000000, -0.0094820200000000, -0.0026778900000000 ] - [ 0.0016404900000000, -0.0011452800000000, -0.0001108200000000 ] - [ -0.0002032600000000, -0.0006556800000000, -0.0028678100000000 ] - [ 0.0007460400000000, 0.0001189400000000, -0.0009633800000000 ] - [ 0.0002927400000000, 0.0001984100000000, -0.0031793800000000 ] - [ -0.0014838500000000, 0.0007477700000000, 0.0059584900000000 ] - [ 0.0008538500000000, 0.0007618800000000, -0.0042230600000000 ] - [ 0.0008519100000000, -0.0005454800000000, -0.0019225800000000 ] - [ 0.0048363100000000, -0.0002958200000000, -0.0037312000000000 ] - [ -0.0007681900000000, 0.0003576800000000, 0.0003800900000000 ] - [ 0.0001525700000000, -0.0000650700000000, -0.0010062000000000 ] - [ 0.0006430800000000, 0.0003900800000000, -0.0036396500000000 ] - [ -0.0034317400000000, -0.0019065800000000, 0.0027499200000000 ] - [ 0.0039822800000000, -0.0004713800000000, 0.0015388300000000 ] - [ -0.0000831400000000, 0.0001860400000000, -0.0045784200000000 ] - [ -0.0008853600000000, 0.0006306100000000, -0.0028120400000000 ] - [ 0.0003126400000000, -0.0004041700000000, -0.0068203700000000 ] - [ 0.0005893500000000, 0.0001542100000000, -0.0007816100000000 ] - [ -0.0003090900000000, 0.0004859400000000, -0.0006431100000000 ] - [ 0.0024933600000000, 0.0002550200000000, -0.0016989800000000 ] - [ -0.0004964200000000, -0.0001252800000000, -0.0020533900000000 ] - [ -0.0003958900000000, 0.0016519400000000, -0.0036410900000000 ] - [ 0.0015466000000000, 0.0005656100000000, 0.0029634100000000 ] - [ -0.0194667400000000, -0.0943798600000000, 0.1299421600000000 ] - [ -0.0000979100000000, 0.0003256400000000, -0.0020281200000000 ] - [ 0.0001723000000000, -0.0000952100000000, -0.0019834400000000 ] - [ 0.0005007400000000, -0.0034480200000000, 0.0034763400000000 ] - [ -0.0146604200000000, 0.0659605500000000, 0.0703761400000000 ] - [ 0.0022636100000000, 0.0025738100000000, -0.0012197300000000 ] - [ -0.0030336100000000, 0.0047402600000000, -0.0020949500000000 ] - [ -0.0002942500000000, 0.0001990500000000, -0.0011483900000000 ] - [ 0.0022343000000000, 0.0002129300000000, 0.0031709500000000 ] - [ -0.0027462700000000, 0.0055174200000000, 0.0042131600000000 ] - [ 0.0019988100000000, 0.0007543600000000, 0.0001194400000000 ] - [ 0.0005394800000000, 0.0003378100000000, 0.0014122200000000 ] - [ -0.0005344400000000, 0.0006595500000000, 0.0018475100000000 ] - [ -0.0037260400000000, -0.0039599300000000, 0.0023845000000000 ] - [ 0.0036970700000000, -0.0018994900000000, 0.0015056900000000 ] - [ 0.0005523300000000, -0.0005310100000000, 0.0017724300000000 ] - [ -0.0002872800000000, -0.0007262500000000, 0.0015794700000000 ] - [ -0.0030022400000000, 0.0054276600000000, -0.0053615700000000 ] - [ -0.0045447500000000, -0.0068341100000000, -0.0069761400000000 ] - [ 0.0000258500000000, -0.0001520100000000, 0.0019394100000000 ] - [ -0.0001475000000000, -0.0001673000000000, 0.0018118100000000 ] - [ -0.0052291100000000, 0.0127368600000000, 0.0313629900000000 ] - [ 0.0000499100000000, 0.0010544100000000, -0.0015602600000000 ] - [ 0.0002252500000000, 0.0010227700000000, 0.0034919400000000 ] - [ -0.0009088400000000, -0.0001364800000000, 0.0024029200000000 ] - [ 0.0211556300000000, -0.0019195400000000, 0.0136614200000000 ] - [ -0.0030281200000000, -0.0015348500000000, -0.0007694500000000 ] - [ 0.0000642800000000, -0.0008114900000000, 0.0029826700000000 ] - [ 0.0012334200000000, -0.0005310600000000, 0.0026961100000000 ] - [ 0.0007243200000000, 0.0064799200000000, -0.0131125200000000 ] - [ -0.0052260600000000, 0.0025301000000000, -0.0107881900000000 ] - [ 0.0005427500000000, 0.0006622500000000, 0.0041830000000000 ] - [ 0.0005622100000000, -0.0001084800000000, 0.0025792500000000 ] - [ -0.0040073300000000, 0.0066223300000000, 0.0009493300000000 ] - [ -0.0024018200000000, -0.0007422400000000, 0.0008035100000000 ] - [ -0.0011407200000000, 0.0001350600000000, 0.0101422000000000 ] - [ -0.0011192200000000, 0.0005560600000000, 0.0027310200000000 ] - [ -0.0021856300000000, -0.0008748000000000, 0.0096822300000000 ] - [ 0.0000951600000000, -0.0004115900000000, 0.0029291500000000 ] - [ 0.0017887300000000, -0.0040129900000000, -0.0004257800000000 ] - [ -0.0080125400000000, -0.0023652100000000, 0.0029070000000000 ] - [ 0.2013987100000000, 0.0039945200000000, -0.4050606300000000 ] - [ -0.0039528900000000, 0.0014263700000000, -0.0096496200000000 ] - [ -0.0006933600000000, -0.0010866000000000, 0.0052346800000000 ] - [ -0.0003894900000000, -0.0000626300000000, 0.0045522500000000 ]- atom: 81 displacement: [ 0.0049326899638558, 0.0000000000000000, -0.0086987682875494 ] forces: - [ 0.0020539700000000, -0.0011138400000000, -0.0492669800000000 ] - [ -0.0039631400000000, 0.0013481900000000, -0.0044091700000000 ] - [ 0.0010408000000000, 0.0003149900000000, 0.0020613200000000 ] - [ -0.0001454700000000, 0.0004056700000000, 0.0021413800000000 ] - [ 0.1705237700000000, -0.0179178200000000, -0.1392228700000000 ] - [ -0.0003442700000000, 0.0007440900000000, -0.0032156800000000 ] - [ -0.0009670900000000, 0.0002101000000000, 0.0034083600000000 ] - [ -0.0008184200000000, -0.0005675800000000, 0.0023087500000000 ] - [ 0.0027999900000000, 0.0000936500000000, 0.0093305200000000 ] - [ -0.0008173500000000, -0.0001055700000000, 0.0018298400000000 ] - [ -0.0008495600000000, 0.0013514800000000, 0.0025711900000000 ] - [ 0.0001064200000000, 0.0000971400000000, -0.0002827900000000 ] - [ 0.0032562300000000, 0.0012435800000000, -0.0044683200000000 ] - [ -0.0023104300000000, 0.0012549400000000, -0.0002766300000000 ] - [ -0.0008214100000000, -0.0002313200000000, 0.0018386800000000 ] - [ 0.0018378300000000, 0.0000936100000000, 0.0029357700000000 ] - [ 0.0009723700000000, 0.0088918600000000, 0.0031032300000000 ] - [ -0.0024898500000000, 0.0004951700000000, -0.0003053000000000 ] - [ -0.0006868000000000, 0.0013038500000000, 0.0024569500000000 ] - [ 0.0001382100000000, 0.0005130200000000, 0.0013866600000000 ] - [ -0.0004867600000000, -0.0012412000000000, 0.0031985400000000 ] - [ 0.0021165000000000, -0.0004967800000000, -0.0056342400000000 ] - [ -0.0014797900000000, -0.0010374000000000, 0.0038946800000000 ] - [ -0.0002268700000000, 0.0002734800000000, 0.0022606600000000 ] - [ -0.0063915000000000, -0.0005638600000000, 0.0032219000000000 ] - [ 0.0023113500000000, -0.0012235000000000, 0.0001261300000000 ] - [ 0.0013964400000000, 0.0009276600000000, 0.0014918400000000 ] - [ -0.0021808500000000, 0.0004599800000000, 0.0031328600000000 ] - [ 0.0026806600000000, 0.0010332400000000, -0.0030400800000000 ] - [ -0.0032135100000000, -0.0004095000000000, -0.0012461800000000 ] - [ 0.0008495900000000, 0.0006980900000000, 0.0048807800000000 ] - [ 0.0001090900000000, 0.0002563000000000, 0.0025085000000000 ] - [ -0.0000903500000000, 0.0003888500000000, 0.0058348500000000 ] - [ -0.0007988300000000, -0.0001976700000000, 0.0017727000000000 ] - [ 0.0000834600000000, -0.0004580300000000, 0.0016557800000000 ] - [ -0.0022591600000000, -0.0002252200000000, 0.0006917600000000 ] - [ 0.0001842000000000, 0.0013495000000000, 0.0034191700000000 ] - [ 0.0007048100000000, -0.0004255700000000, 0.0022679300000000 ] - [ -0.0012565100000000, -0.0017827400000000, -0.0043519700000000 ] - [ 0.0199315700000000, 0.0888310700000000, -0.1248748400000000 ] - [ -0.0003233700000000, -0.0000154100000000, 0.0017164200000000 ] - [ 0.0002479000000000, 0.0004088100000000, 0.0022911400000000 ] - [ -0.0000959700000000, 0.0031201900000000, -0.0031680900000000 ] - [ 0.0147436600000000, -0.0650314400000000, -0.0707152400000000 ] - [ -0.0024506500000000, -0.0014945200000000, 0.0012302900000000 ] - [ 0.0032403200000000, -0.0036966400000000, 0.0021065600000000 ] - [ 0.0004782200000000, -0.0012589100000000, 0.0011274000000000 ] - [ -0.0028210700000000, 0.0000598200000000, -0.0034909700000000 ] - [ 0.0027355200000000, -0.0055077000000000, -0.0041584400000000 ] - [ -0.0020255200000000, -0.0008281300000000, -0.0001284900000000 ] - [ -0.0005509300000000, -0.0002654100000000, -0.0014397200000000 ] - [ 0.0005503400000000, -0.0005919500000000, -0.0018254600000000 ] - [ 0.0038637800000000, 0.0046945900000000, -0.0025249500000000 ] - [ -0.0038690300000000, 0.0027011600000000, -0.0013552700000000 ] - [ -0.0006897800000000, -0.0002527400000000, -0.0016336500000000 ] - [ 0.0004275800000000, -0.0000534200000000, -0.0017217700000000 ] - [ 0.0027785500000000, -0.0050454100000000, 0.0053892200000000 ] - [ 0.0047973700000000, 0.0072465400000000, 0.0069844000000000 ] - [ 0.0002021700000000, -0.0002396900000000, -0.0019592500000000 ] - [ -0.0000819300000000, -0.0002183400000000, -0.0017916400000000 ] - [ 0.0065547700000000, -0.0131235400000000, -0.0323492300000000 ] - [ -0.0012058500000000, -0.0012949400000000, 0.0022648800000000 ] - [ -0.0013800300000000, -0.0007770500000000, -0.0027627100000000 ] - [ 0.0020398600000000, 0.0003902300000000, -0.0031176600000000 ] - [ -0.0205469200000000, 0.0015398600000000, -0.0131716000000000 ] - [ 0.0024958700000000, 0.0012069900000000, 0.0002621700000000 ] - [ -0.0005938600000000, 0.0011280800000000, -0.0035105300000000 ] - [ -0.0007015700000000, 0.0008543000000000, -0.0021709500000000 ] - [ -0.0003034000000000, -0.0066449200000000, 0.0130865200000000 ] - [ 0.0048177000000000, -0.0026668400000000, 0.0107967600000000 ] - [ -0.0009738200000000, -0.0005339000000000, -0.0041227800000000 ] - [ -0.0001263600000000, 0.0002402900000000, -0.0026418400000000 ] - [ 0.0037885200000000, -0.0064090800000000, -0.0013392600000000 ] - [ 0.0026223200000000, 0.0009828400000000, -0.0004039500000000 ] - [ 0.0014111600000000, -0.0003735500000000, -0.0098008900000000 ] - [ 0.0008621700000000, -0.0007792500000000, -0.0031410600000000 ] - [ 0.0026380600000000, 0.0000443200000000, -0.0087290800000000 ] - [ -0.0005392800000000, -0.0004037800000000, -0.0038556200000000 ] - [ -0.0022370900000000, 0.0048414100000000, -0.0005570600000000 ] - [ 0.0084562700000000, 0.0031746300000000, -0.0019341300000000 ] - [ -0.2135955400000000, 0.0016110400000000, 0.4068591700000000 ] - [ 0.0037757900000000, -0.0003665900000000, 0.0100531400000000 ] - [ 0.0005033700000000, 0.0000386000000000, -0.0048365800000000 ] - [ 0.0005813600000000, -0.0009924600000000, -0.0049458600000000 ]